SMILES for Glycogen synthase kinase-3 beta

[O-][N+](=O)c1cc2[c-](-c3[nH]c4ccccc4c3N=[OH+])c(=O)[nH]c2cc1Br |(.96,8.59,;2.41,8.07,;3.5,9.15,;2.56,6.53,;1.3,5.64,;1.44,4.11,;.4,2.98,;-1.14,2.98,;-2.04,1.73,;-3.51,2.2,;-4.84,1.43,;-6.18,2.2,;-6.18,3.75,;-4.84,4.52,;-3.51,3.75,;-2.04,4.22,;-1.57,5.69,;-2.66,6.77,;1.16,1.63,;.51,.23,;2.67,1.94,;2.84,3.47,;4.1,4.36,;3.96,5.89,;5.21,6.78,)|

BDBM7428

CC(=O)[O+]=Nc1c([nH]c2ccccc12)-[c-]1c2cc(c(Br)cc2[nH]c1=O)[N+]([O-])=O |w:4.4,(-3.35,9.35,;-2.26,8.26,;-.77,8.66,;-2.66,6.77,;-1.57,5.69,;-2.04,4.22,;-1.14,2.98,;-2.04,1.73,;-3.51,2.2,;-4.84,1.43,;-6.18,2.2,;-6.18,3.75,;-4.84,4.52,;-3.51,3.75,;.4,2.98,;1.44,4.11,;1.3,5.64,;2.56,6.53,;3.96,5.89,;5.21,6.78,;4.1,4.36,;2.84,3.47,;2.67,1.94,;1.16,1.63,;.51,.23,;2.41,8.07,;.96,8.59,;3.5,9.15,)|

BDBM7429

Clc1cccc2NC(=O)\C(=C3/Nc4ccccc4C3=O)c12

BDBM7430

Cc1cc2C(=O)NCc2c2c3ccccc3n(COCC[Si](C)(C)C)c12

BDBM7431

Cc1cc2C(=O)NCc2c2c1[nH]c1ccccc21

BDBM7432

CN(C)CCN1C(=N)c2c(cc(C)c3n(COCC[Si](C)(C)C)c4ccccc4c23)C1=O

BDBM7433

CN(C)CCN1C(=O)c2cc(C)c3n(COCC[Si](C)(C)C)c4ccccc4c3c2C1=O

BDBM7434

O=C1N(Cc2ccccc2)Cc2c1nc(-c1ccccc1)c1[nH]c3ccccc3c21

BDBM7436

Cc1nc2C(=O)NCc2c2c3ccccc3[nH]c12

BDBM7435

NCc1nc2C(=O)NCc2c2c3ccccc3[nH]c12

BDBM7437

CN(C)CCN1Cc2c(nc(C)c3[nH]c4ccccc4c23)C1=O

BDBM7438

CN(C)CCn1c2ccccc2c2c3CNC(=O)c3nc(C)c12

BDBM7439

CN(C)CC(=O)NCc1nc2C(=O)NCc2c2c3ccccc3[nH]c12

BDBM7440

Cc1cc(C)c(c(C)c1)S(=O)(=O)NCc1nc2C(=O)NCc2c2c3ccccc3[nH]c12

BDBM7441

CN1C(=O)c2c(C1=O)c(C#N)c1c3cc(Cl)ccc3n(COCC[Si](C)(C)C)c1c2C

BDBM7442

CN1C(=O)c2c(C1=O)c(C#N)c1c3ccccc3n(COCC[Si](C)(C)C)c1c2C

BDBM7443

CN1C(=O)c2c(C1=O)c(CN)c1c3ccccc3n(COCC[Si](C)(C)C)c1c2C

BDBM7444

Cc1c2C(=O)N(Cc3ccccc3)C(=O)c2c(CN)c2c3ccccc3n(COCC[Si](C)(C)C)c12

BDBM7445

CN(C)CC(=O)NCc1c2C(=O)N(C)C(=O)c2c(C)c2n(COCC[Si](C)(C)C)c3ccccc3c12

BDBM7446

CN(C)CC(=O)NCc1c2C(=O)N(Cc3ccccc3)C(=O)c2c(C)c2n(COCC[Si](C)(C)C)c3ccccc3c12

BDBM7447

CN(C)CCC(=O)NCc1c2C(=O)N(C)C(=O)c2c(C)c2n(COCC[Si](C)(C)C)c3ccccc3c12

BDBM7448

CN(C)CCC(=O)NCc1c2C(=O)N(Cc3ccccc3)C(=O)c2c(C)c2n(COCC[Si](C)(C)C)c3ccccc3c12

BDBM7449

CN1C(=O)c2c(C1=O)c(CNC(=O)C[NH+](C)C)c1c3ccccc3[nH]c1c2C

BDBM7450

C[NH+](C)CC(=O)NCc1c2C(=O)N(Cc3ccccc3)C(=O)c2c(C)c2[nH]c3ccccc3c12

BDBM11428

CC(C)c1cnn2c(Nc3ccc(cc3)S(=O)(=O)N(C)C)cc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:27.28,wD:24.24,(2.91,-1.4,;1.41,-1.08,;.38,-2.22,;.93,.39,;1.84,1.63,;.93,2.88,;-.53,2.4,;-1.87,3.17,;-1.87,4.71,;-3.2,5.48,;-4.53,4.71,;-5.87,5.48,;-5.87,7.02,;-4.53,7.79,;-3.2,7.02,;-7.2,7.79,;-8.29,8.88,;-6.11,8.88,;-8.53,7.02,;-8.53,5.48,;-9.87,7.79,;-3.2,2.4,;-3.2,.86,;-4.53,.09,;-5.87,.86,;-5.87,2.4,;-7.2,3.17,;-8.53,2.4,;-9.87,3.17,;-8.53,.86,;-7.2,.09,;-1.87,.09,;-.53,.86,)|

BDBM11429

CN(C)S(=O)(=O)c1ccc(Nc2cc(N[C@H]3CC[C@H](N)CC3)nc3c(cnn23)C2CCCC2)cc1 |r,wU:18.18,wD:15.14,(-8.53,5.48,;-8.53,7.02,;-9.87,7.79,;-7.2,7.79,;-8.29,8.88,;-6.11,8.88,;-5.87,7.02,;-5.87,5.48,;-4.53,4.71,;-3.2,5.48,;-1.87,4.71,;-1.87,3.17,;-3.2,2.4,;-3.2,.86,;-4.53,.09,;-5.87,.86,;-5.87,2.4,;-7.2,3.17,;-8.53,2.4,;-9.87,3.17,;-8.53,.86,;-7.2,.09,;-1.87,.09,;-.53,.86,;.93,.39,;1.84,1.63,;.93,2.88,;-.53,2.4,;1.41,-1.08,;.6,-2.39,;1.6,-3.56,;3.03,-2.97,;2.91,-1.44,;-3.2,7.02,;-4.53,7.79,)|

BDBM11430

CN(C)S(=O)(=O)c1ccc(Nc2cc(N[C@H]3CC[C@H](N)CC3)nc3c(cnn23)C#N)cc1 |r,wU:18.18,wD:15.14,(-8.53,5.48,;-8.53,7.02,;-9.87,7.79,;-7.2,7.79,;-8.29,8.88,;-6.11,8.88,;-5.87,7.02,;-5.87,5.48,;-4.53,4.71,;-3.2,5.48,;-1.87,4.71,;-1.87,3.17,;-3.2,2.4,;-3.2,.86,;-4.53,.09,;-5.87,.86,;-5.87,2.4,;-7.2,3.17,;-8.53,2.4,;-9.87,3.17,;-8.53,.86,;-7.2,.09,;-1.87,.09,;-.53,.86,;.93,.39,;1.84,1.63,;.93,2.88,;-.53,2.4,;1.41,-1.08,;1.81,-2.56,;-3.2,7.02,;-4.53,7.79,)|

BDBM11431

CN(C)S(=O)(=O)c1ccc(Nc2cc(N[C@H]3CC[C@H](N)CC3)nc3c(Cl)cnn23)cc1 |r,wU:18.18,wD:15.14,(-8.53,5.48,;-8.53,7.02,;-9.87,7.79,;-7.2,7.79,;-8.29,8.88,;-6.11,8.88,;-5.87,7.02,;-5.87,5.48,;-4.53,4.71,;-3.2,5.48,;-1.87,4.71,;-1.87,3.17,;-3.2,2.4,;-3.2,.86,;-4.53,.09,;-5.87,.86,;-5.87,2.4,;-7.2,3.17,;-8.53,2.4,;-9.87,3.17,;-8.53,.86,;-7.2,.09,;-1.87,.09,;-.53,.86,;.93,.39,;1.41,-1.08,;1.84,1.63,;.93,2.88,;-.53,2.4,;-3.2,7.02,;-4.53,7.79,)|

BDBM11432

CN(C)S(=O)(=O)c1ccc(Nc2cc(N[C@H]3CC[C@H](N)CC3)nc3c(Br)cnn23)cc1 |r,wU:18.18,wD:15.14,(-8.53,5.48,;-8.53,7.02,;-9.87,7.79,;-7.2,7.79,;-8.29,8.88,;-6.11,8.88,;-5.87,7.02,;-5.87,5.48,;-4.53,4.71,;-3.2,5.48,;-1.87,4.71,;-1.87,3.17,;-3.2,2.4,;-3.2,.86,;-4.53,.09,;-5.87,.86,;-5.87,2.4,;-7.2,3.17,;-8.53,2.4,;-9.87,3.17,;-8.53,.86,;-7.2,.09,;-1.87,.09,;-.53,.86,;.93,.39,;1.41,-1.08,;1.84,1.63,;.93,2.88,;-.53,2.4,;-3.2,7.02,;-4.53,7.79,)|

BDBM11433

CCN[C@H]1CC[C@@H](CC1)Nc1cc(Nc2ccc(cc2)S(=O)(=O)N(C)C)n2ncc(C(C)C)c2n1 |r,wU:3.2,wD:6.9,(-12.54,3.17,;-11.2,2.4,;-9.87,3.17,;-8.53,2.4,;-7.2,3.17,;-5.87,2.4,;-5.87,.86,;-7.2,.09,;-8.53,.86,;-4.53,.09,;-3.2,.86,;-3.2,2.4,;-1.87,3.17,;-1.87,4.71,;-3.2,5.48,;-4.53,4.71,;-5.87,5.48,;-5.87,7.02,;-4.53,7.79,;-3.2,7.02,;-7.2,7.79,;-8.29,8.88,;-6.11,8.88,;-8.53,7.02,;-8.53,5.48,;-9.87,7.79,;-.53,2.4,;.93,2.88,;1.84,1.63,;.93,.39,;1.41,-1.08,;2.91,-1.4,;.38,-2.22,;-.53,.86,;-1.87,.09,)|

BDBM11434

CCN(CC)[C@H]1CC[C@@H](CC1)Nc1cc(Nc2ccc(cc2)S(=O)(=O)N(C)C)n2ncc(C(C)C)c2n1 |r,wU:5.4,wD:8.11,(-12.54,3.17,;-11.2,2.4,;-9.87,3.17,;-9.87,4.71,;-11.2,5.48,;-8.53,2.4,;-7.2,3.17,;-5.87,2.4,;-5.87,.86,;-7.2,.09,;-8.53,.86,;-4.53,.09,;-3.2,.86,;-3.2,2.4,;-1.87,3.17,;-1.87,4.71,;-3.2,5.48,;-4.53,4.71,;-5.87,5.48,;-5.87,7.02,;-4.53,7.79,;-3.2,7.02,;-7.2,7.79,;-8.29,8.88,;-6.11,8.88,;-8.53,7.02,;-8.53,5.48,;-9.87,7.79,;-.53,2.4,;.93,2.88,;1.84,1.63,;.93,.39,;1.41,-1.08,;2.91,-1.4,;.38,-2.22,;-.53,.86,;-1.87,.09,)|

BDBM11435

CC(C)c1cnn2c(Nc3ccc(cc3)S(=O)(=O)N(C)C)cc(O[C@H]3CC[C@H](N)CC3)nc12 |r,wU:27.28,wD:24.24,(2.91,-1.4,;1.41,-1.08,;.38,-2.22,;.93,.39,;1.84,1.63,;.93,2.88,;-.53,2.4,;-1.87,3.17,;-1.87,4.71,;-3.2,5.48,;-4.53,4.71,;-5.87,5.48,;-5.87,7.02,;-4.53,7.79,;-3.2,7.02,;-7.2,7.79,;-8.29,8.88,;-6.11,8.88,;-8.53,7.02,;-8.53,5.48,;-9.87,7.79,;-3.2,2.4,;-3.2,.86,;-4.53,.09,;-5.87,.86,;-5.87,2.4,;-7.2,3.17,;-8.53,2.4,;-9.87,3.17,;-8.53,.86,;-7.2,.09,;-1.87,.09,;-.53,.86,)|

BDBM11436

CC(C)c1cnn2c(Nc3ccc(cc3)S(=O)(=O)N(C)C)cc(NC3CCCC(N)C3)nc12

BDBM11437

CC(C)COc1cc(Nc2ccc(cc2)S(=O)(=O)N(C)C)n2ncc(C(C)C)c2n1

BDBM11438

CC(C)COc1cc(Nc2ccc(cc2)S(C)(=O)=O)n2ncc(C(C)C)c2n1

BDBM11439

CN(C)S(=O)(=O)c1ccc(Nc2cc(N[C@H]3CC[C@H](N)CC3)nc3c(Br)cnn23)cc1Cl |r,wU:18.18,wD:15.14,(-9.87,7.79,;-8.54,7.02,;-8.54,5.48,;-7.2,7.79,;-8.29,8.88,;-6.11,8.88,;-5.87,7.02,;-5.87,5.48,;-4.53,4.71,;-3.2,5.48,;-1.87,4.71,;-1.87,3.17,;-3.2,2.4,;-3.2,.86,;-4.53,.09,;-5.87,.86,;-5.87,2.4,;-7.2,3.17,;-8.53,2.4,;-9.87,3.17,;-8.53,.86,;-7.2,.09,;-1.87,.09,;-.53,.86,;.93,.39,;1.41,-1.08,;1.84,1.63,;.93,2.88,;-.53,2.4,;-3.2,7.02,;-4.53,7.79,;-4.53,9.33,)|

BDBM11440

N[C@H]1CC[C@@H](CC1)Nc1cc(Nc2ccc(cc2)S(=O)(=O)c2cccs2)n2ncc(Cl)c2n1 |r,wU:1.0,wD:4.7,(-9.87,3.17,;-8.53,2.4,;-7.2,3.17,;-5.87,2.4,;-5.87,.86,;-7.2,.09,;-8.53,.86,;-4.53,.09,;-3.2,.86,;-3.2,2.4,;-1.87,3.17,;-1.87,4.71,;-3.2,5.48,;-4.53,4.71,;-5.87,5.48,;-5.87,7.02,;-4.53,7.79,;-3.2,7.02,;-7.2,7.79,;-8.29,8.88,;-6.11,8.88,;-8.54,7.02,;-8.56,5.48,;-10.04,5.04,;-10.92,6.3,;-9.99,7.53,;-.53,2.4,;.93,2.88,;1.84,1.63,;.93,.39,;1.41,-1.08,;-.53,.86,;-1.87,.09,)|

BDBM11441

N[C@H]1CC[C@@H](CC1)Nc1cc(Nc2ccc(cc2)S(=O)(=O)c2ccccc2)n2ncc(Br)c2n1 |r,wU:1.0,wD:4.7,(-9.87,3.17,;-8.53,2.4,;-7.2,3.17,;-5.87,2.4,;-5.87,.86,;-7.2,.09,;-8.53,.86,;-4.53,.09,;-3.2,.86,;-3.2,2.4,;-1.87,3.17,;-1.87,4.71,;-3.2,5.48,;-4.53,4.71,;-5.87,5.48,;-5.87,7.02,;-4.53,7.79,;-3.2,7.02,;-7.2,7.79,;-8.29,8.88,;-6.11,8.88,;-8.54,7.02,;-9.87,7.79,;-11.2,7.02,;-11.2,5.48,;-9.87,4.71,;-8.54,5.48,;-.53,2.4,;.93,2.88,;1.84,1.63,;.93,.39,;1.41,-1.08,;-.53,.86,;-1.87,.09,)|

BDBM11442

CS(=O)(=O)c1ccc(cc1)Nc2cc(nc3n2ncc3)Cl

BDBM11443

CC(C)c1cnn2c(Nc3ccc(cc3)S(C)(=O)=O)cc(Cl)nc12

BDBM11444

Brc1cccc(c1)-c1cc(NCc2ccncc2)n2nccc2n1

BDBM7457

c1cc(c(cc1C2=C(C(=O)c3ccc(cc3O2)O)O)O)O

BDBM7458

c1cc(ccc1C2=CC(=O)c3c(cc(cc3O2)O)O)O

BDBM7459

c1cc(c(cc1C2=CC(=O)c3c(cc(cc3O2)O)O)O)O

BDBM7460

c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O

BDBM7461

c1ccc(cc1)C2=CC(=O)c3c(cc(cc3O2)O)O

BDBM7462

c1cc(ccc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O

BDBM5655

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

BDBM7491

NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c(Br)cc12 |w:7.19,t:1|

BDBM7492

Ic1ccc2NC(=O)C(c2c1)c1[nH]c2ccccc2c1N=O

BDBM7496

Brc1ccc2[nH]c-3c(CC(=O)Nc4ncccc-34)c2c1

BDBM7497

Brc1ccc2[nH]c-3c(CC(=O)Nc4cccnc-34)c2c1

BDBM8061

Cc1nc(N)sc1-c1ccnc(Nc2cccc(c2)N(=O)=O)n1

BDBM188498

Cc1[nH]nc2NC3=C(C(c12)c1ccccc1)C(=O)CC(C)(C)C3 |c:6|

BDBM188499

Cc1[nH]nc2NC3=C([C@@H](c12)c1ccccc1)C(=O)CC(C)(C)C3 |r,c:6|

BDBM173195

Cc1[nH]nc2NC3=C([C@H](c12)c1ccccc1)C(=O)CC(C)(C)C3 |r,c:6|

BDBM303133

Cc1[nH]nc2NC3=C(C(c4cccs4)c12)C(=O)CC(C)(C)C3 |c:6|

BDBM303134

Cc1[nH]nc2NC3=C([C@@H](c4cccs4)c12)C(=O)CC(C)(C)C3 |r,c:6|

BDBM303135

Cc1[nH]nc2NC3=C([C@H](c4cccs4)c12)C(=O)CC(C)(C)C3 |r,c:6|

BDBM303136

Cc1[nH]nc2NC3=C(C(c4ccsc4)c12)C(=O)CC(C)(C)C3 |$;;;;;N;;;;;;;;;;;;;;;;$,c:6|

BDBM303137

Cc1[nH]nc2NC3=C(C(c4ccc(Cl)s4)c12)C(=O)CC(C)(C)C3 |$;;;;;N;;;;;;;;;;;;;;;;;$,c:6|

BDBM188505

Cc1[nH]nc2NC3=C(C(c12)c1ccccc1F)C(=O)CC(C)(C)C3 |c:6|

BDBM188506

Cc1[nH]nc2NC3=C(C(c12)c1cccc(F)c1)C(=O)CC(C)(C)C3 |c:6|

BDBM188507

Cc1[nH]nc2NC3=C(C(c12)c1ccc(F)cc1)C(=O)CC(C)(C)C3 |c:6|

BDBM303141

Cc1[nH]nc2NC3=C(C(c12)c1ccccc1Cl)C(=O)CC(C)(C)C3 |$;;;;;N;;;;;;;;;;;;;;;;;;$,c:6|

BDBM303142

Cc1[nH]nc2NC3=C(C(c12)c1cccc(Cl)c1)C(=O)CC(C)(C)C3 |c:6|

BDBM303143

Cc1[nH]nc2NC3=C(C(c12)c1ccc(Cl)cc1)C(=O)CC(C)(C)C3 |$;;;;;N;;;;;;;;;;;;;;;;;;$,c:6|

BDBM303144

Cc1[nH]nc2NC3=C(C(c12)c1ccccc1Br)C(=O)CC(C)(C)C3 |$;;;;;N;;;;;;;;;;;;;;;;;;$,c:6|

BDBM188508

Cc1[nH]nc2NC3=C(C(c12)c1ccccc1C)C(=O)CC(C)(C)C3 |c:6|

BDBM303146

Cc1[nH]nc2NC3=C(C(c12)c1cccc(C)c1)C(=O)CC(C)(C)C3 |$;;;;;N;;;;;;;;;;;;;;;;;;$,c:6|

BDBM303147

Cc1[nH]nc2NC3=C(C(c12)c1ccc(C)cc1)C(=O)CC(C)(C)C3 |c:6|

BDBM173196

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

BDBM188510

COc1ccccc1[C@@H]1c2c(C)[nH]nc2NC2=C1C(=O)CC(C)(C)C2 |r,c:18|

BDBM188509

COc1ccccc1[C@H]1c2c(C)[nH]nc2NC2=C1C(=O)CC(C)(C)C2 |r,c:18|

BDBM303151

COc1cccc(c1)C1c2c(C)[nH]nc2NC2=C1C(=O)CC(C)(C)C2 |c:18|

BDBM303152

COc1ccc(cc1)C1c2c(C)[nH]nc2NC2=C1C(=O)CC(C)(C)C2 |c:18|

BDBM303153

CSc1ccccc1C1c2c(C)[nH]nc2NC2=C1C(=O)CC(C)(C)C2 |c:18|

BDBM303154

Cc1[nH]nc2NC3=C(C(c12)c1ccc2OCOc2c1)C(=O)CC(C)(C)C3 |$;;;;;N;;;;;;;;;;;;;;;;;;;;$,c:6|

BDBM303155

Cc1[nH]nc2NC3=C(C(c12)c1ccccc1C(F)(F)F)C(=O)CC(C)(C)C3 |c:6|

BDBM188511

Cc1[nH]nc2NC3=C([C@H](c12)c1ccccc1C(F)(F)F)C(=O)CC(C)(C)C3 |r,c:6|

BDBM303157

Cc1[nH]nc2NC3=C([C@@H](c12)c1ccccc1C(F)(F)F)C(=O)CC(C)(C)C3 |r,c:6|

BDBM303158

Cc1[nH]nc2NC3=C(C(c12)c1cccc(c1)C(F)(F)F)C(=O)CC(C)(C)C3 |c:6|

BDBM303160

Cc1[nH]nc2NC3=C(C(c12)c1ccccc1C#N)C(=O)CC(C)(C)C3 |c:6|

BDBM303161

Cc1[nH]nc2NC3=C(C(c12)c1cccc(c1)C#N)C(=O)CC(C)(C)C3 |c:6|

BDBM303162

Cc1[nH]nc2NC3=C(C(c12)c1ccc(cc1)C#N)C(=O)CC(C)(C)C3 |c:6|

BDBM303163

Cc1[nH]nc2NC3=C(C(c12)c1ccc(F)cc1Cl)C(=O)CC(C)(C)C3 |c:6|

BDBM188502

Cc1[nH]nc2NC3=C(C(c12)c1ccccn1)C(=O)CC(C)(C)C3 |c:6|

BDBM188503

Cc1[nH]nc2NC3=C(C(c12)c1cccnc1)C(=O)CC(C)(C)C3 |c:6|

BDBM188504

Cc1[nH]nc2NC3=C(C(c12)c1ccncc1)C(=O)CC(C)(C)C3 |c:6|

BDBM303167

Cc1[nH]nc2NC3=C(C(c12)c1ccc(Br)cn1)C(=O)CC(C)(C)C3 |$;;;;;N;;;;;;;;;;;;;;;;;;$,c:6|

BDBM303168

Cc1[nH]nc2NC3=C(C(c4ccn[nH]4)c12)C(=O)CC(C)(C)C3 |$;;;;;N;;;;;;;;;;;;;;;;$,c:6|

BDBM303169

Cc1[nH]nc2NC3=C(C(c12)c1cccc2nonc12)C(=O)CC(C)(C)C3 |c:6|

BDBM188500

CC1c2c(C)[nH]nc2NC2=C1C(=O)CC(C)(C)C2 |c:10|

BDBM303171

Cc1[nH]nc2NC3=C(C(C4CC4)c12)C(=O)CC(C)(C)C3 |$;;;;;N;;;;;;;;;;;;;;$,c:6|

BDBM303172

COc1ccccc1C1c2c(C)[nH]nc2NC2=C1C(=O)C(C)(C)CC2 |$;;;;;;;;;;;;;;;N;;;;;;;;;$,c:18|

BDBM303173

COc1ccccc1C1c2c(C)[nH]nc2NC2=C1C(=O)CCC2 |$;;;;;;;;;;;;;;;N;;;;;;;$,c:18|

BDBM303174

COc1ccccc1C1c2c[nH]nc2NC2=C1C(=O)CC(C)(C)C2 |c:17|

BDBM303175

CCc1[nH]nc2NC3=C(C(c12)c1ccccc1OC)C(=O)CC(C)(C)C3 |c:7|

BDBM303176

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

BDBM303177

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

BDBM303178

COc1ccccc1C1c2c(NC3=C1C(=O)CC(C)(C)C3)n[nH]c2-c1ccccc1 |c:13|

BDBM303179

CC1(C)CC(=O)C2=C(C1)Nc1n[nH]c(c1C2c1ccccc1)C(F)(F)F |c:6|

BDBM173197

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

BDBM188512

COc1ccccc1[C@H]1c2c(NC3=C1C(=O)CC(C)(C)C3)n[nH]c2C(F)(F)F |r,c:13|

BDBM303182

COc1ccccc1[C@@H]1c2c(NC3=C1C(=O)CC(C)(C)C3)n[nH]c2C(F)(F)F |r,c:13|

BDBM303183

COc1ccccc1C1c2c(C)[nH]nc2NC2=C1C(=O)CC1(CCCCC1)C2 |c:18|

BDBM303185

CC1(C)CC(=O)C2=C(C1)Nc1n[nH]c(c1C2c1ccccc1F)C(F)(F)F |c:6|

BDBM303186

CC1(C)CC(=O)C2=C(C1)Nc1n[nH]c(c1[C@@H]2c1c(F)cccc1F)C(F)(F)F |r,c:6|

BDBM303187

CC1(C)CC(=O)C2=C(C1)Nc1n[nH]c(c1C2c1cc(F)ccc1F)C(F)(F)F |c:6|

BDBM303188

CC1(C)CC(=O)C2=C(C1)Nc1n[nH]c(c1C2c1cc(F)ccc1OC(F)(F)F)C(F)(F)F |c:6|

BDBM303189

CC1(C)CC(=O)C2=C(C1)Nc1n[nH]c(c1C2c1ccccc1C(F)(F)F)C(F)(F)F |c:6|

BDBM303190

CC1(C)CC(=O)C2=C(C1)Nc1n[nH]c(c1C2c1cccc(F)c1C(F)(F)F)C(F)(F)F |c:6|

BDBM303191

CC1(C)CC(=O)C2=C(C1)Nc1n[nH]c(c1C2c1cc(F)ccc1C(F)(F)F)C(F)(F)F |c:6|

BDBM303192

CC1(C)CC(=O)C2=C(C1)Nc1n[nH]c(c1C2c1ccc(F)cc1C(F)(F)F)C(F)(F)F |c:6|

BDBM303194

Cc1[nH]nc2NC3=C(C(=O)CC(C)(C)C3)C(C)(c12)c1ccccc1 |$;;;;;N;;;;;;;;;;;;;;;;;;$,t:6|

BDBM303195

CC1(C)CC(=O)C2=C(C1)Nc1n[nH]c(c1C2(C)c1ccccc1)C(F)(F)F |c:6|

BDBM8126

N(c1ccccc1)c1nccc(n1)-c1cnn2ncccc12

BDBM8127

CN(c1ccccc1)c1nccc(n1)-c1cnn2ncccc12

BDBM8217

Cc1ccccc1Nc1nccc(n1)-c1cnn2ncccc12

BDBM8128

COc1cccc(Nc2nccc(n2)-c2cnn3ncccc23)c1

BDBM8129

N#Cc1ccc(Nc2nccc(n2)-c2cnn3ncccc23)cc1

BDBM8130

O=N(=O)c1ccc(Nc2nccc(n2)-c2cnn3ncccc23)cc1

BDBM8131

CC(C)c1ccc(Nc2nccc(n2)-c2cnn3ncccc23)cc1

BDBM8132

CCC(C)c1ccc(Nc2nccc(n2)-c2cnn3ncccc23)cc1

BDBM8133

CC(C)(C)c1ccc(Nc2nccc(n2)-c2cnn3ncccc23)cc1

BDBM8134

COc1ccc(Nc2nccc(n2)-c2cnn3ncccc23)cc1OC

BDBM8135

C1Oc2ccc(Nc3nccc(n3)-c3cnn4ncccc34)cc2O1

BDBM8136

C1COc2cc(Nc3nccc(n3)-c3cnn4ncccc34)ccc2O1

BDBM8137

Fc1ccc(Nc2nccc(n2)-c2cnn3ncccc23)cc1F

BDBM8138

C1COc2ccc(Nc3nccc(n3)-c3cnn4ncccc34)cc2OC1

BDBM8139

Clc1ccc(Nc2nccc(n2)-c2cnn3ncccc23)cc1Cl

BDBM8140

FC(F)(F)c1cc(Nc2nccc(n2)-c2cnn3ncccc23)ccc1Cl

BDBM8141

COC1CC(OC)=CC(C1)=Nc1nccc(n1)-c1cnn2ncccc12 |w:10.11,c:6|

BDBM8142

COc1cc(Nc2nccc(n2)-c2cnn3ncccc23)cc(c1)C(F)(F)F

BDBM8143

FC(F)(F)c1cc(Br)cc(Nc2nccc(n2)-c2cnn3ncccc23)c1

BDBM8144

Fc1cc(F)cc(Nc2nccc(n2)-c2cnn3ncccc23)c1

BDBM8145

Clc1cc(Cl)cc(Nc2nccc(n2)-c2cnn3ncccc23)c1

BDBM8146

Cc1cc(C)cc(Nc2nccc(n2)-c2cnn3ncccc23)c1

BDBM8147

FC(F)(F)c1cccc(Nc2nccc(n2)-c2cnn3[nH]c(=O)ccc23)c1

BDBM8148

COc1ccc2c(cnn2n1)-c1ccnc(Nc2cccc(c2)C(F)(F)F)n1

BDBM8149

CCOc1ccc2c(cnn2n1)-c1ccnc(Nc2cccc(c2)C(F)(F)F)n1

BDBM8150

CCCOc1ccc2c(cnn2n1)-c1ccnc(Nc2cccc(c2)C(F)(F)F)n1

BDBM8151

COc1cccc(Nc2nccc(n2)-c2cnn3nc(OC)ccc23)c1

BDBM8152

COc1ccc2c(cnn2n1)-c1ccnc(Nc2cccc(OC(F)(F)F)c2)n1

BDBM8153

COc1ccc2c(cnn2n1)-c1ccnc(Nc2ccc(cc2)C#N)n1

BDBM8154

COc1ccc2c(cnn2n1)-c1ccnc(Nc2ccc(cc2)N(=O)=O)n1

BDBM8155

COc1cc(Nc2nccc(n2)-c2cnn3nc(OC)ccc23)cc(OC)c1

BDBM8156

COc1cc(Nc2nccc(n2)-c2cnn3nc(OC)ccc23)cc(c1)C(F)(F)F

BDBM8157

CCOc1ccc2c(cnn2n1)-c1ccnc(Nc2cc(OC)cc(c2)C(F)(F)F)n1

BDBM8158

COc1ccc2c(cnn2n1)-c1ccnc(Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)n1

BDBM8159

COc1ccc2c(cnn2n1)-c1ccnc(Nc2ccc3OCCOc3c2)n1

BDBM8160

Cc1ccc2c(cnn2n1)-c1ccnc(Nc2cccc(c2)C(F)(F)F)n1

BDBM8161

Cc1ccc2c(cnn2n1)-c1ccnc(Nc2ccc(cc2)C(F)(F)F)n1

BDBM8162

COc1cc(Nc2nccc(n2)-c2cnn3nc(C)ccc23)cc(c1)C(F)(F)F

BDBM8163

Cc1ccc2c(cnn2n1)-c1ccnc(Nc2ccc3OCCOc3c2)n1

BDBM8164

FC(F)(F)c1cccc(Nc2nccc(n2)-c2cnn3nc(ccc23)-c2ccccc2)c1

BDBM8165

C1COc2cc(Nc3nccc(n3)-c3cnn4nc(ccc34)-c3ccccc3)ccc2O1

BDBM8166

N(c1ccccc1)c1nccc(n1)-c1c(nn2ncccc12)-c1ccccc1

BDBM8167

FC(F)(F)c1cccc(Nc2nccc(n2)-c2c(nn3ncccc23)-c2ccccc2)c1

BDBM8168

Fc1ccc(Nc2nccc(n2)-c2c(nn3ncccc23)-c2ccccc2)cc1F

BDBM8169

Fc1cc(F)cc(Nc2nccc(n2)-c2c(nn3ncccc23)-c2ccccc2)c1

BDBM8170

FC(F)(F)c1cc(Nc2nccc(n2)-c2c(nn3ncccc23)-c2ccccc2)ccc1Cl

BDBM8171

C1COc2cc(Nc3nccc(n3)-c3c(nn4ncccc34)-c3ccccc3)ccc2O1

BDBM8172

Fc1ccc(cc1)-c1nn2ncccc2c1-c1ccnc(Nc2ccccc2)n1

BDBM8173

Fc1ccc(cc1)-c1nn2ncccc2c1-c1ccnc(Nc2cccc(c2)C(F)(F)F)n1

BDBM8174

Fc1ccc(cc1)-c1nn2ncccc2c1-c1ccnc(Nc2ccc(F)c(F)c2)n1

BDBM8175

Fc1ccc(cc1)-c1nn2ncccc2c1-c1ccnc(Nc2ccc(Cl)c(c2)C(F)(F)F)n1

BDBM8176

Fc1ccc(cc1)-c1nn2ncccc2c1-c1ccnc(Nc2ccc3OCCOc3c2)n1

BDBM8177

COc1ccc(cc1)-c1nn2ncccc2c1-c1ccnc(Nc2ccccc2)n1

BDBM8178

COc1ccc(cc1)-c1nn2ncccc2c1-c1ccnc(Nc2cccc(c2)C(F)(F)F)n1

BDBM8179

COc1ccc(cc1)-c1nn2ncccc2c1-c1ccnc(Nc2ccc(F)c(F)c2)n1

BDBM8180

COc1ccc(cc1)-c1nn2ncccc2c1-c1ccnc(Nc2ccc(Cl)c(c2)C(F)(F)F)n1

BDBM8181

COc1ccc(cc1)-c1nn2ncccc2c1-c1ccnc(Nc2ccc3OCCOc3c2)n1

BDBM8182

FC(F)(F)c1ccc(cc1)-c1nn2ncccc2c1-c1ccnc(Nc2ccccc2)n1

BDBM8183

FC(F)(F)c1ccc(cc1)-c1nn2ncccc2c1-c1ccnc(Nc2cccc(c2)C(F)(F)F)n1

BDBM8184

Fc1ccc(Nc2nccc(n2)-c2c(nn3ncccc23)-c2ccc(cc2)C(F)(F)F)cc1F

BDBM8185

FC(F)(F)c1ccc(cc1)-c1nn2ncccc2c1-c1ccnc(Nc2ccc3OCCOc3c2)n1

BDBM8186

FC(F)(F)c1ccc(cc1)-c1nn2ncccc2c1-c1ccnc(Nc2ccc(Cl)c(c2)C(F)(F)F)n1

BDBM8187

FC(F)(F)c1cccc(c1)-c1nn2ncccc2c1-c1ccnc(Nc2ccccc2)n1

BDBM8188

Fc1ccc(Nc2nccc(n2)-c2c(nn3ncccc23)-c2cccc(c2)C(F)(F)F)cc1F

BDBM8189

FC(F)(F)c1cccc(c1)-c1nn2ncccc2c1-c1ccnc(Nc2ccc3OCCOc3c2)n1

BDBM8190

FC(F)(F)c1cccc(c1)-c1nn2ncccc2c1-c1ccnc(Nc2ccc(Cl)c(c2)C(F)(F)F)n1

BDBM8191

Clc1ccc(cc1)-c1nn2ncccc2c1-c1ccnc(Nc2ccccc2)n1

BDBM8192

FC(F)(F)c1cccc(Nc2nccc(n2)-c2c(nn3ncccc23)-c2ccc(Cl)cc2)c1

BDBM8193

Fc1ccc(Nc2nccc(n2)-c2c(nn3ncccc23)-c2ccc(Cl)cc2)cc1F

BDBM8194

FC(F)(F)c1cc(Nc2nccc(n2)-c2c(nn3ncccc23)-c2ccc(Cl)cc2)ccc1Cl

BDBM8195

Clc1ccc(cc1)-c1nn2ncccc2c1-c1ccnc(Nc2ccc3OCCOc3c2)n1

BDBM8196

Cc1ccc2c(c(nn2n1)-c1ccccc1)-c1ccnc(Nc2ccccc2)n1

BDBM8197

Cc1ccc2c(c(nn2n1)-c1ccccc1)-c1ccnc(Nc2cccc(c2)C(F)(F)F)n1

BDBM8198

Cc1ccc2c(c(nn2n1)-c1ccccc1)-c1ccnc(Nc2ccc(F)c(F)c2)n1

BDBM8199

Cc1ccc2c(c(nn2n1)-c1ccccc1)-c1ccnc(Nc2ccc(Cl)c(c2)C(F)(F)F)n1

BDBM8200

Cc1ccc2c(c(nn2n1)-c1ccccc1)-c1ccnc(Nc2ccc3OCCOc3c2)n1

BDBM8201

Cc1ccc2c(c(nn2n1)-c1cccc(c1)C(F)(F)F)-c1ccnc(Nc2ccccc2)n1

BDBM8202

Cc1ccc2c(c(nn2n1)-c1cccc(c1)C(F)(F)F)-c1ccnc(Nc2ccc(F)c(F)c2)n1

BDBM8203

Cc1ccc2c(c(nn2n1)-c1cccc(c1)C(F)(F)F)-c1ccnc(Nc2ccc(Cl)c(c2)C(F)(F)F)n1

BDBM8204

Cc1ccc2c(c(nn2n1)-c1cccc(c1)C(F)(F)F)-c1ccnc(Nc2ccc3OCCOc3c2)n1

BDBM8205

Cc1ccc2c(c(nn2n1)-c1ccc(cc1)C(F)(F)F)-c1ccnc(Nc2ccccc2)n1

BDBM8206

Cc1ccc2c(c(nn2n1)-c1ccc(cc1)C(F)(F)F)-c1ccnc(Nc2ccc3OCCOc3c2)n1

BDBM8207

Cc1ccc2c(c(nn2n1)-c1ccc(F)cc1)-c1ccnc(Nc2ccccc2)n1

BDBM8208

Cc1ccc2c(c(nn2n1)-c1ccc(F)cc1)-c1ccnc(Nc2cccc(c2)C(F)(F)F)n1

BDBM8209

Cc1ccc2c(c(nn2n1)-c1ccc(F)cc1)-c1ccnc(Nc2ccc(F)c(F)c2)n1

BDBM8210

Cc1ccc2c(c(nn2n1)-c1ccc(F)cc1)-c1ccnc(Nc2ccc3OCCOc3c2)n1

BDBM8211

Cc1ccc2c(c(nn2n1)-c1ccc(F)cc1)-c1ccnc(Nc2ccc(Cl)c(c2)C(F)(F)F)n1

BDBM8212

C1CC1c1nn2ncccc2c1-c1ccnc(Nc2ccccc2)n1

BDBM8213

Fc1ccc(Nc2nccc(n2)-c2c(nn3ncccc23)C2CC2)cc1F

BDBM8214

C1CCC(CC1)c1nn2ncccc2c1-c1ccnc(Nc2ccccc2)n1

BDBM8215

Fc1ccc(Nc2nccc(n2)-c2c(nn3ncccc23)C2CCCCC2)cc1F

BDBM8216

COCCOc1cnn2ncc(-c3ccnc(Nc4cccc(OC)c4)n3)c2c1

BDBM8535

COc1cccc(c1)-n1ncc2c(N=NCc3ccncc3)ncnc12 |w:13.13|

BDBM8536

COc1cccc(c1)-c1c[nH]c2c(N=NCc3ccncc3)ncnc12 |w:13.13|

BDBM8537

COc1cccc(c1)-c1cn(C)c2c(N=NCc3ccncc3)ncnc12 |w:14.14|

BDBM8538

COc1cccc(c1)-n1ccc2c(N=NCc3ccncc3)ncnc12 |w:13.13|

BDBM8539

COc1cccc(c1)-n1cnc2c(N=NCc3ccncc3)ncnc12 |w:13.13|

BDBM8540

COc1cccc(c1)-c1n[nH]c2c(N=NCc3ccncc3)ncnc12 |w:13.13|

BDBM8541

Fc1ccccc1CCNC(=O)Cc1ccc(CSc2nnc(o2)-c2ccncc2)cc1

BDBM8542

OC(=O)Cc1ccc(CSc2nnc(s2)-c2ccncc2)cc1

BDBM8543

OC(=O)Cc1ccc(CSc2nnc(o2)-c2ccncc2)cc1

BDBM8544

OC(=O)Cc1ccc(CSc2nnc([nH]2)-c2ccncc2)cc1

BDBM8545

OC(=O)Cc1ccc(CSc2nnc(s2)-c2cccnc2)cc1

BDBM8546

OC(=O)Cc1ccc(CSc2nnc(s2)-c2ccccn2)cc1

BDBM8547

OC(=O)c1ccc(CSc2nnc(o2)-c2ccncc2)cc1

BDBM8548

C(Sc1nnc(o1)-c1ccncc1)c1ccccc1

BDBM8549

C(Cc1ccccc1)Sc1nnc(o1)-c1ccncc1

BDBM8550

Clc1cccc(CSc2nnc(o2)-c2ccncc2)c1

BDBM8551

Clc1ccccc1CSc1nnc(o1)-c1ccncc1

BDBM8552

Ic1cccc(CSc2nnc(o2)-c2ccncc2)c1

BDBM8553

Ic1ccc(CSc2nnc(o2)-c2ccncc2)cc1

BDBM8554

Fc1cccc(CSc2nnc(o2)-c2ccncc2)c1

BDBM8555

COC(=O)c1cccc(CSc2nnc(o2)-c2ccncc2)c1

BDBM8556

OC(=O)c1cccc(CSc2nnc(o2)-c2ccncc2)c1

BDBM8557

Cc1nc(no1)-c1cccc(CSc2nnc(o2)-c2ccncc2)c1

BDBM8558

COc1ccc(cc1)-c1oc2ncnc(N)c2c1-c1cccnc1

BDBM8559

CCCCCC(=O)Nc1ncnc2oc(cc12)-c1ccc(OC)cc1

BDBM8560

COc1ccc(cc1)-c1cc2c(NC(=O)CCSC)ncnc2o1

BDBM8561

COc1ccc(cc1)-c1cc2c(NC(=O)C(C)C)ncnc2o1

BDBM8562

COc1ccc(cc1)-c1cc2c(NC(=O)C3CC3)ncnc2o1

BDBM8563

COc1ccc(cc1)-c1cc2c(NC(=O)C3CCCC3)ncnc2o1

BDBM8564

COc1ccc(cc1)-c1cc2c(NC(=O)CC3CCCC3)ncnc2o1

BDBM8565

COc1ccc(cc1)-c1cc2c(NC(=O)C3CCCCC3)ncnc2o1

BDBM8566

COc1ccc(cc1)-c1cc2c(NC(=O)N3CCOCC3)ncnc2o1

BDBM8567

COc1ccc(cc1)-c1cc2c(NC(=O)N3CCCC3)ncnc2o1

BDBM8568

COc1ccc(cc1)-c1cc2c(NC(=O)c3cccc(F)c3)ncnc2o1

BDBM8569

COc1ccc(cc1)-c1cc2c(NC(=O)c3ccco3)ncnc2o1

BDBM8570

O=C(Nc1ncnc2oc(cc12)-c1ccccc1)C1CC1

BDBM8571

Clc1ccc(cc1)-c1cc2c(NC(=O)C3CC3)ncnc2o1

BDBM8572

Cc1ccc(cc1)-c1cc2c(NC(=O)C3CC3)ncnc2o1

BDBM8573

Fc1ccc(cc1)-c1cc2c(NC(=O)C3CC3)ncnc2o1

BDBM8574

O=C(Nc1ncnc2oc(cc12)-c1cccnc1)C1CC1

BDBM8575

O=C(Nc1ncnc2oc(cc12)-c1ccccc1)C1CCCC1

BDBM8576

Clc1ccc(cc1)-c1cc2c(NC(=O)C3CCCC3)ncnc2o1

BDBM8577

Cc1ccc(cc1)-c1cc2c(NC(=O)C3CCCC3)ncnc2o1

BDBM8578

Fc1ccc(cc1)-c1cc2c(NC(=O)C3CCCC3)ncnc2o1

BDBM8579

O=C(Nc1ncnc2oc(cc12)-c1cccnc1)C1CCCC1

BDBM8649

COc1cc(CN=Nc2ncnc3n(ncc23)-c2ccccc2)ccc1O |w:7.7|

BDBM8650

COc1cc(CN=Nc2nc(Cl)nc3n(ncc23)-c2ccccc2)ccc1O |w:7.7|

BDBM8651

COc1cc(CN=Nc2nc(nc3n(ncc23)-c2ccccc2)-c2ccccc2)ccc1O |w:7.7|

BDBM8652

COc1cc(\C=N\N(C)c2ncnc3n(ncc23)-c2ccccc2)ccc1O

BDBM8653

COc1cc(CN=Nc2ncnc3n[nH]cc23)ccc1O |w:7.7|

BDBM8654

COc1cc(CN=Nc2ncnc3n(ncc23)C(C)C)ccc1O |w:7.7|

BDBM8655

COc1cc(CN=Nc2ncnc3n(Cc4ccccc4)ncc23)ccc1O |w:7.7|

BDBM8656

C(N=Nc1ncnc2n(ncc12)-c1ccccc1)c1ccncc1 |w:2.2|

BDBM8657

Cc1ccccc1-n1ncc2c(N=NCc3ccncc3)ncnc12 |w:12.12|

BDBM8658

Cc1cccc(c1)-n1ncc2c(N=NCc3ccncc3)ncnc12 |w:12.12|

BDBM8659

Cc1ccc(cc1)-n1ncc2c(N=NCc3ccncc3)ncnc12 |w:12.12|

BDBM8660

COc1ccccc1-n1ncc2c(N=NCc3ccncc3)ncnc12 |w:13.13|

BDBM8662

COc1ccc(cc1)-n1ncc2c(N=NCc3ccncc3)ncnc12 |w:13.13|

BDBM8663

CCOc1cccc(c1)-n1ncc2c(N=NCc3ccncc3)ncnc12 |w:14.14|

BDBM8664

FC(F)(F)Oc1cccc(c1)-n1ncc2c(N=NCc3ccncc3)ncnc12 |w:16.16|

BDBM8665

CCCNc1cccc(c1)-n1ncc2c(N=NCc3ccncc3)ncnc12 |w:15.15|

BDBM8666

C(Nc1cccc(c1)-n1ncc2c(N=NCc3ccncc3)ncnc12)C1CC1 |w:13.13|

BDBM8667

CC(=O)Nc1cccc(c1)-n1ncc2c(N=NCc3ccncc3)ncnc12 |w:15.15|

BDBM8668

CCCC(=O)Nc1cccc(c1)-n1ncc2c(N=NCc3ccncc3)ncnc12 |w:17.17|

BDBM8669

Fc1cccc(c1)-n1ncc2c(N=NCc3ccncc3)ncnc12 |w:12.12|

BDBM8670

Brc1cccc(c1)-n1ncc2c(N=NCc3ccncc3)ncnc12 |w:12.12|

BDBM8671

O=N(=O)c1cccc(c1)-n1ncc2c(N=NCc3ccncc3)ncnc12 |w:14.14|

BDBM8672

C(N=Nc1ncnc2n(ncc12)-c1ccccn1)c1ccncc1 |w:2.2|

BDBM8673

C(N=Nc1ncnc2n(ncc12)-c1cccnc1)c1ccncc1 |w:2.2|

BDBM8674

C(N=Nc1ncnc2n(ncc12)-c1ccncc1)c1ccncc1 |w:2.2|

BDBM8675

COc1cccc(n1)-n1ncc2c(N=NCc3ccncc3)ncnc12 |w:13.13|

BDBM8676

C(N=Nc1ncnc2n(ncc12)-c1nccs1)c1ccncc1 |w:2.2|

BDBM8677

COc1cccc(c1)-n1ncc2c(N=NCc3ccccc3)ncnc12 |w:13.13|

BDBM8678

COc1cccc(c1)-n1ncc2c(N=NCc3ccccc3OC)ncnc12 |w:13.13|

BDBM8679

COc1cccc(CN=Nc2ncnc3n(ncc23)-c2cccc(OC)c2)c1 |w:9.9|

BDBM8680

COc1ccc(CN=Nc2ncnc3n(ncc23)-c2cccc(OC)c2)cc1 |w:8.8|

BDBM8681

COc1cccc(c1)-n1ncc2c(N=NCc3ccccc3F)ncnc12 |w:13.13|

BDBM8682

COc1cccc(c1)-n1ncc2c(N=NCc3cccc(F)c3)ncnc12 |w:13.13|

BDBM8683

COc1cccc(c1)-n1ncc2c(N=NCc3ccc(F)cc3)ncnc12 |w:13.13|

BDBM8684

COc1cccc(c1)-n1ncc2c(N=NCc3ccc(F)c(F)c3)ncnc12 |w:13.13|

BDBM8685

COc1cccc(c1)-n1ncc2c(N=NCc3cccc(N)c3)ncnc12 |w:13.13|

BDBM8686

COc1cccc(c1)-n1ncc2c(N=NCc3ccc(N)cc3)ncnc12 |w:13.13|

BDBM8687

COc1cccc(c1)-n1ncc2c(N=NCc3cccc(c3)S(C)(=O)=O)ncnc12 |w:13.13|

BDBM8688

COc1cccc(c1)-n1ncc2c(N=NCc3ccc(cc3)S(C)(=O)=O)ncnc12 |w:13.13|

BDBM8689

COc1cccc(c1)-n1ncc2c(N=NCc3ccc(O)cc3)ncnc12 |w:13.13|

BDBM8690

COc1cccc(c1)-n1ncc2c(N=NCc3ccc(OCC=C)cc3)ncnc12 |w:13.13|

BDBM8691

COc1cccc(c1)-n1ncc2c(N=NCc3ccc(OCc4ccc(F)cc4)cc3)ncnc12 |w:13.13|

BDBM8692

COc1cccc(c1)-n1ncc2c(N=NCc3ccc(OCCN(C)C)cc3)ncnc12 |w:13.13|

BDBM8693

CCN(CC)c1ccc(CN=Nc2ncnc3n(ncc23)-c2cccc(OC)c2)cc1 |w:11.11|

BDBM8694

COc1cccc(c1)-n1ncc2c(N=NCc3ccc(CN(C)C)cc3)ncnc12 |w:13.13|

BDBM8695

CCNCc1ccc(CN=Nc2ncnc3n(ncc23)-c2cccc(OC)c2)cc1 |w:10.10|

BDBM8696

COc1cccc(c1)-n1ncc2c(N=NCc3ccc(NC(C)=O)cc3)ncnc12 |w:13.13|

BDBM8697

COc1cccc(c1)-n1ncc2c(N=NCc3ccc(NS(C)(=O)=O)cc3)ncnc12 |w:13.13|

BDBM8698

COc1cccc(c1)-n1ncc2c(N=NCc3ccc(NC(=O)CCN(C)C)cc3)ncnc12 |w:13.13|

BDBM8699

COc1cccc(c1)-n1ncc2c(N=NCc3ccc(C)cc3)ncnc12 |w:13.13|

BDBM8700

COc1cccc(c1)-n1ncc2c(N=NCc3ccc(cc3)-c3ccccc3)ncnc12 |w:13.13|

BDBM8701

COc1cccc(c1)-n1ncc2c(N=NCc3ccc(cc3)C#N)ncnc12 |w:13.13|

BDBM8702

COc1cccc(c1)-n1ncc2c(N=NCc3ccc(cc3)C(O)=O)ncnc12 |w:13.13|

BDBM8703

COc1cccc(c1)-n1ncc2c(N=NCc3ccc(cc3)C(=O)NCCN(C)C)ncnc12 |w:13.13|

BDBM8704

COc1cccc(c1)-n1ncc2c(N=NCc3ccc(cc3)C(=O)NCCS(C)(=O)=O)ncnc12 |w:13.13|

BDBM8705

COc1cccc(c1)-n1ncc2c(N=NCc3ccc(cc3)S(=O)(=O)NCCN(C)C)ncnc12 |w:13.13|

BDBM8706

COc1cccc(c1)-n1nc(C)c2c(N=NCc3ccncc3)ncnc12 |w:14.14|

BDBM8707

CCc1nn(-c2cccc(OC)c2)c2ncnc(N=NCc3ccncc3)c12 |w:18.18|

BDBM8708

CCCc1nn(-c2cccc(OC)c2)c2ncnc(N=NCc3ccncc3)c12 |w:19.19|

BDBM8709

COc1cccc(c1)-n1nc(C(C)C)c2c(N=NCc3ccncc3)ncnc12 |w:16.16|

BDBM8710

COc1cccc(c1)-n1ncc2c(N=NC(C)c3ccncc3)ncnc12 |w:13.13|

BDBM8711

COc1cccc(c1)-n1nc(C)c2c(N=NC(C)c3ccncc3)ncnc12 |w:14.14|

BDBM314324

COc1ccc2[nH]nc(C(=O)NCC3CCN(CC(O)=O)CC3)c2c1

BDBM314368

COCCN1CCC(CNC(=O)c2n[nH]c3ccc(OC)cc23)CC1

BDBM314370

COc1ccc2[nH]nc(C(=O)NCC3CCN(CCC(O)=O)CC3)c2c1

BDBM314371

COCCN1CCC(CNC(=O)c2n[nH]c3ccc(cc23)-c2cccnc2)CC1

BDBM314374

COCCN1CCC(CNC(=O)c2n[nH]c3ccc(cc23)-c2cnccc2OC)CC1

BDBM314377

COCCN1CCC(CNC(=O)c2n[nH]c3ccc(cc23)-c2ccccc2F)CC1

BDBM314378

COCCN1CCC(CNC(=O)c2n[nH]c3ccc(cc23)-c2ccc(C)nc2)CC1

BDBM50134187

COCCN1CCC(CNC(=O)c2n[nH]c3ccc(cc23)-c2cccc(F)c2F)CC1

BDBM314381

COCCN1CCC(CNC(=O)c2n[nH]c3ccc(cc23)-c2ccccc2)CC1

BDBM314382

COCCN1CCC(CNC(=O)c2n[nH]c3ccc(cc23)-c2cncc(OC)c2)CC1

BDBM314383

COCCN1CCC(CNC(=O)c2n[nH]c3ccc(cc23)-c2ccc(O)cc2)CC1

BDBM314384

COCCN1CCC(CNC(=O)c2n[nH]c3ccc(cc23)-c2ccc(OC)cc2)CC1

BDBM314385

COCCN1CCC(CNC(=O)c2n[nH]c3ccc(cc23)-c2ccc(C)cc2)CC1

BDBM314386

COCCN1CCC(CNC(=O)c2n[nH]c3ccc(cc23)-c2cccnc2OC)CC1

BDBM314387

COCCN1CCC(CNC(=O)c2n[nH]c3ccc(cc23)-c2ccc(OC)nc2)CC1

BDBM314388

COCCN1CCC(CNC(=O)c2n[nH]c3ccc(cc23)-c2ccccc2C)CC1

BDBM314389

CCOc1cc(F)c(F)cc1-c1ccc2[nH]nc(C(=O)NCC3CCN(CCOC)CC3)c2c1

BDBM314390

COc1ccc2[nH]nc(C(=O)NCC3CCN(CCCC(O)=O)CC3)c2c1

BDBM314391

OC(=O)CN1CCC(CNC(=O)c2n[nH]c3ccc(cc23)-c2cncnc2)CC1

BDBM314395

Cc1noc(C)c1-c1ccc2[nH]nc(C(=O)NCC3CCN(CC(O)=O)CC3)c2c1

BDBM314396

OC(=O)CN1CCC(CNC(=O)c2n[nH]c3ccc(cc23)-c2cccc(Cl)c2Cl)CC1

BDBM314397

OC(=O)CN1CCC(CNC(=O)c2n[nH]c3ccc(cc23)-c2cccc(F)c2)CC1

BDBM314398

OC(=O)CN1CCC(CNC(=O)c2n[nH]c3ccc(cc23)-c2cccc(F)c2F)CC1

BDBM314399

COc1cncc(c1)-c1ccc2[nH]nc(C(=O)NCC3CCN(CC(O)=O)CC3)c2c1

BDBM314400

CCc1ccc2[nH]nc(C(=O)NCC3CCN(CC(O)=O)CC3)c2c1

BDBM314401

CC(C)c1ccc2[nH]nc(C(=O)NCC3CCN(CC(O)=O)CC3)c2c1

BDBM314402

OC(=O)CN1CCC(CNC(=O)c2n[nH]c3ccc(cc23)C2=CCOCC2)CC1 |t:23|

BDBM314403

OC(=O)CN1CCC(CNC(=O)c2n[nH]c3ccc(cc23)C2CCCCC2)CC1

BDBM314404

CCCCCc1ccc2[nH]nc(C(=O)NCC3CCN(CC(O)=O)CC3)c2c1

BDBM314405

COc1ccc2[nH]nc(C(=O)NCC3CCN(CCCNC(=O)c4ccccc4)CC3)c2c1

BDBM314406

CCCC(=O)NCCCN1CCC(CNC(=O)c2n[nH]c3ccc(OC)cc23)CC1

BDBM314407

COc1ccc2[nH]nc(C(=O)NCC3CCN(CCCNC(=O)\C=C\C)CC3)c2c1

BDBM314408

CCC(=O)NCCCN1CCC(CNC(=O)c2n[nH]c3ccc(OC)cc23)CC1

BDBM314409

COc1ccc2[nH]nc(C(=O)NCC3CCN(CCCNC(=O)C#CC)CC3)c2c1

BDBM10643

COCCNc1nc(nc2n(cnc12)C(C)C)-c1ccc(C=O)cc1

BDBM10644

COCCNc1nc(nc2n(cnc12)C(C)C)-c1ccc(cc1)C(C)=O

BDBM10645

COCCNc1nc(nc2n(cnc12)C(C)C)-c1ccc(NS(C)(=O)=O)cc1

BDBM10646

CNC(=O)c1ccc(cc1)-c1nc(NCCOC)c2ncn(C(C)C)c2n1

BDBM10647

COCCNc1nc(nc2n(cnc12)C(C)C)-c1ccc(cc1)C(=O)NCCC#N

BDBM10648

COCCNc1nc(nc2n(cnc12)C(C)C)-c1ccc(NC(=O)OC)cc1

BDBM10649

COCCNc1nc(nc2n(cnc12)C(C)C)-c1ccc(s1)C(C)=O

BDBM10650

COCCNc1nc(nc2n(cnc12)C(C)C)-c1ccc(s1)C#N

BDBM10651

COc1ccc(CNc2nc(nc3n(cnc23)C(C)C)-c2ccc(C=O)cc2)cc1

BDBM7533

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

BDBM10838

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

BDBM10839

Nc1nccc(n1)-c1c[nH]c2cc(Br)cc(O)c12

BDBM10840

Nc1nccc(n1)-c1c[nH]c2ccc(Br)cc12

BDBM10841

Nc1nccc(n1)-c1c[nH]c2cc(Br)ccc12

BDBM10842

Nc1nccc(n1)-c1c[nH]c2c(Br)ccc(O)c12

BDBM10843

Nc1nccc(n1)-c1c[nH]c2cc(Br)c(Br)cc12

BDBM10844

Nc1nccc(n1)-c1c[nH]c2ccccc12

BDBM10845

Nc1nccc(n1)-c1cc2cc(Br)ccc2[nH]1

BDBM10846

Nc1nccc(n1)-c1cc2ccccc2[nH]1

BDBM11447

c1cc(ccc1Nc2cc(nc3n2ncn3)OCC4CCCCC4)S(=O)(=O)N

BDBM11448

c1cc(ccc1Nc2cc(nc3n2ncn3)OC4CCCCC4)S(=O)(=O)N

BDBM11449

c1cc(ccc1Nc2cc(nc3n2ncn3)NC4CCCCC4)S(=O)(=O)N

BDBM11451

CCN(CC)c1cc(Nc2ccc(cc2)S(N)(=O)=O)n2ncnc2n1

BDBM11452

N[C@H]1CC[C@@H](CC1)Nc1cc(Nc2ccc(cc2)S(N)(=O)=O)n2ncnc2n1 |r,wU:4.7,wD:1.0,(-7.31,-8.65,;-7.31,-7.11,;-5.97,-6.34,;-5.97,-4.8,;-7.31,-4.03,;-8.64,-4.8,;-8.64,-6.34,;-7.31,-2.49,;-5.98,-1.72,;-5.98,-.18,;-4.65,.59,;-4.65,2.13,;-3.32,2.9,;-3.32,4.45,;-1.98,5.22,;-.65,4.45,;-.65,2.9,;-1.98,2.13,;.68,5.22,;.68,6.76,;2.17,5.61,;1.45,3.88,;-3.32,-.17,;-1.85,.31,;-.94,-.94,;-1.85,-2.18,;-3.31,-1.71,;-4.64,-2.49,)|

BDBM11453

CN(C)S(=O)(=O)c1ccc(Nc2cc(N[C@H]3CC[C@H](N)CC3)nc3ncnn23)cc1 |r,wU:15.14,wD:18.18,(2.02,7.53,;.68,6.76,;-.65,7.53,;.68,5.22,;2.17,5.61,;1.45,3.88,;-.65,4.45,;-1.98,5.22,;-3.32,4.45,;-3.32,2.9,;-4.65,2.13,;-4.65,.59,;-5.98,-.18,;-5.98,-1.72,;-7.31,-2.49,;-7.31,-4.03,;-5.97,-4.8,;-5.97,-6.34,;-7.31,-7.11,;-7.31,-8.65,;-8.64,-6.34,;-8.64,-4.8,;-4.64,-2.49,;-3.31,-1.71,;-1.85,-2.18,;-.94,-.94,;-1.85,.31,;-3.32,-.17,;-1.98,2.13,;-.65,2.9,)|

BDBM11454

CS(=O)(=O)c1ccc(Nc2cc(N[C@H]3CC[C@H](N)CC3)nc3ncnn23)cc1 |r,wU:13.12,wD:16.16,(.68,6.76,;.68,5.22,;2.17,5.61,;1.45,3.88,;-.65,4.45,;-1.98,5.22,;-3.32,4.45,;-3.32,2.9,;-4.65,2.13,;-4.65,.59,;-5.98,-.18,;-5.98,-1.72,;-7.31,-2.49,;-7.31,-4.03,;-5.97,-4.8,;-5.97,-6.34,;-7.31,-7.11,;-7.31,-8.65,;-8.64,-6.34,;-8.64,-4.8,;-4.64,-2.49,;-3.31,-1.71,;-1.85,-2.18,;-.94,-.94,;-1.85,.31,;-3.32,-.17,;-1.98,2.13,;-.65,2.9,)|

BDBM11455

N[C@H]1CC[C@@H](CC1)Nc1cc(Nc2ccc(cc2)S(=O)(=O)c2ccccc2)n2ncnc2n1 |r,wU:4.7,wD:1.0,(-7.31,-8.65,;-7.31,-7.11,;-5.97,-6.34,;-5.97,-4.8,;-7.31,-4.03,;-8.64,-4.8,;-8.64,-6.34,;-7.31,-2.49,;-5.98,-1.72,;-5.98,-.18,;-4.65,.59,;-4.65,2.13,;-3.32,2.9,;-3.32,4.45,;-1.98,5.22,;-.65,4.45,;-.65,2.9,;-1.98,2.13,;.68,5.22,;2.17,5.61,;1.45,3.88,;.68,6.76,;-.65,7.53,;-.65,9.07,;.68,9.84,;2.02,9.07,;2.02,7.53,;-3.32,-.17,;-1.85,.31,;-.94,-.94,;-1.85,-2.18,;-3.31,-1.71,;-4.64,-2.49,)|

BDBM161376

Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccccc3)n2)c2ccccc12)C(C)(C)C

BDBM142598

COCC(=O)Nc1cc(Oc2ccc(NC(=O)Nc3cc(nn3-c3ccc(C)cc3)C(C)(C)C)c3ccccc23)ccn1

BDBM339875

CCCCCCCCCCCC(=O)NNC(=O)c1c(O)c2ccccc2n(C)c1=O

BDBM339878

CCCCCCCC(=O)NNC(=O)c1c(O)c2ccc(Cl)cc2[nH]c1=O

BDBM339879

CCCCCCCCCCCC(=O)NNC(=O)c1c(O)c2ccc(Cl)cc2[nH]c1=O

BDBM339880

CCCCCCCCCCCC(=O)NNC(=O)c1c(O)c2cc(F)ccc2[nH]c1=O

BDBM339885

CCCCCCCCCCCC(=O)NNC(=O)c1c(O)c2cc(Br)ccc2[nH]c1=O

BDBM339886

CCCCCCCCCCCC(=O)NNC(=O)c1c(O)c2cc(Cl)ccc2[nH]c1=O

BDBM16589

COc1cc(ccc1O)-c1ccc2c(n[nH]c2c1)-c1nc2ccccc2[nH]1

BDBM16590

c1ccc2[nH]c(nc2c1)-c1n[nH]c2ccccc12

BDBM16591

NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]ccc12 |w:7.18,t:1|

BDBM17141

NS(=O)(=O)c1ccc(cc1)-c1ccc(\C=C2/SC(=N)NC2=O)o1

BDBM17144

CNS(=O)(=O)c1ccc(cc1)-c1ccc(\C=C2/SC(=N)NC2=O)o1

BDBM17145

CN(C)CCNS(=O)(=O)c1ccc(cc1)-c1ccc(\C=C2/SC(=N)NC2=O)o1

BDBM17149

NS(=O)(=O)c1ccc(cc1C(F)(F)F)-c1ccc(\C=C2/SC(=N)NC2=O)o1

BDBM17150

NS(=O)(=O)c1ccc(cc1Cl)-c1ccc(\C=C2/SC(=N)NC2=O)o1

BDBM17151

C\C(=C1\SC(=N)NC1=O)c1ccc(o1)-c1ccc(cc1)S(N)(=O)=O

BDBM357013

C(Nc1nc(nc2cccc(-c3ccccc3)c12)-c1cncnc1)c1ccccn1

BDBM50239227

NS(=O)(=O)c1cncc(c1)-c1nc(NCc2ccccn2)c2c(cccc2n1)-c1ccccc1

BDBM357015

Clc1nc(NCc2ccccn2)c2c(cccc2n1)-c1ccccc1

BDBM375939

C[C@@H](Oc1nc(cc2nn(C)cc12)-c1cnn(c1)C(C)(C)C)[C@H]1CNC(=O)C1 |r|

BDBM375952

C[C@@H](Oc1cc(cc2nn(C)cc12)-c1cnn(c1)C(C)(C)C)[C@H]1CNC(=O)C1 |r|

BDBM140387

C[C@@H](Oc1cc(cc2ncccc12)-c1cnn(C)c1C)[C@H]1CNC(=O)C1 |r|

BDBM140389

CCCn1cc(cn1)-c1cc(O[C@H](C)[C@H]2CNC(=O)C2)c2cccnc2c1 |r|

BDBM140390

CC(C)n1cc(cn1)-c1cc(O[C@H](C)[C@H]2CNC(=O)C2)c2cccnc2c1 |r|

BDBM375983

C[C@@H](Oc1nc(cc2nn(C)cc12)-c1ccc2n(C)ncc2c1)[C@H]1CNC(=O)C1 |r|

BDBM375993

C[C@@H](Oc1nc(cc2nn(C)cc12)-c1ccc2cnn(C)c2c1)[C@H]1CNC(=O)C1 |r|

BDBM375961

C[C@@H](Oc1cc(cc2nn(C)cc12)-c1ccc2n(C)nc(N)c2c1)[C@H]1CNC(=O)C1 |r|

BDBM375956

C[C@@H](Oc1cc(cc2nn(C)cc12)-c1ccc2n(C)ncc2c1)[C@H]1CNC(=O)C1 |r|

BDBM375957

C[C@@H](Oc1cc(cc2nn(C)cc12)-c1cscn1)[C@H]1CNC(=O)C1 |r|

BDBM375964

C[C@@H](Oc1cc(cc2nn(C)cc12)-c1ccc(F)cn1)[C@H]1CNC(=O)C1 |r|

BDBM375965

C[C@@H](Oc1cc(cc2nn(C)cc12)-c1ccc(cc1)C1CCN(C)CC1)[C@H]1CNC(=O)C1 |r|

BDBM375982

C[C@@H](Oc1nc(cc2nn(C)cc12)-c1ccc(nc1)C(F)(F)F)[C@H]1CNC(=O)C1 |r|

BDBM376002

COc1cc(ccc1OC(C)C)-c1cc2nn(C)cc2c(O[C@H](C)[C@H]2CNC(=O)C2)n1 |r|

BDBM140360

C[C@@H](Oc1cc(cc2ncccc12)-c1ccc2nc(C)sc2c1)[C@H]1CNC(=O)C1 |r|

BDBM140380

C[C@@H](Oc1cc(cc2ncccc12)-c1ccc2n(C)c(C)nc2c1)[C@H]1CNC(=O)C1 |r|

BDBM140382

C[C@@H](Oc1cc(cc2ncccc12)-c1ccc2nc(C)nc(C)c2c1)[C@H]1CNC(=O)C1 |r|

BDBM140384

C[C@@H](Oc1cc(cc2ncccc12)-c1ccc2[nH]c(C)nc2c1)[C@H]1CNC(=O)C1 |r|

BDBM375938

COc1ccc(cc1OC)-c1cc2nn(C)cc2c(O[C@H](C)[C@H]2CNC(=O)C2)n1 |r|

BDBM375942

COc1cc(ccc1O)-c1cc2nn(C)cc2c(O[C@H](C)[C@H]2CNC(=O)C2)n1 |r|

BDBM375973

COc1cc(cc(OC)c1OC)-c1cc2nn(C)cc2c(O[C@H](C)[C@H]2CNC(=O)C2)n1 |r|

BDBM375960

C[C@@H](Oc1cc(cc2nn(C)cc12)-c1csc(n1)C(F)F)[C@H]1CNC(=O)C1 |r|

BDBM375941

C[C@@H](Oc1nc(cc2nn(C)cc12)-c1cnn(c1)C1CCCCC1)[C@H]1CNC(=O)C1 |r|

BDBM144453

COc1cc(ccc1OC(F)(F)F)-c1cc2ncccc2c(O[C@H](C)[C@H]2CNC(=O)C2)n1 |r|

BDBM375944

C[C@@H](Oc1nc(cc2nn(C)cc12)-c1cnn(c1)C1CCC(F)(F)CC1)[C@H]1CNC(=O)C1 |r|

BDBM375945

C[C@@H](Oc1nc(cc2nn(C)cc12)-c1cc2nn(C)cc2c(O[C@H](C)[C@@H]2CNC(=O)C2)n1)[C@H]1CNC(=O)C1 |r|

BDBM140377

COc1cc(ccc1C(F)(F)F)-c1cc(O[C@H](C)[C@H]2CNC(=O)C2)c2cccnc2c1 |r|

BDBM375953

C[C@@H](Oc1cc(cc2nn(C)cc12)-c1ccc(cc1)N1CCOCC1)[C@H]1CNC(=O)C1 |r|

BDBM375954

C[C@@H](Oc1cc(cc2nn(C)cc12)-c1ccc(cc1)N1CCN(C)CC1)[C@H]1CNC(=O)C1 |r|

BDBM375988

C[C@@H](Oc1nc(cc2nn(C)cc12)-c1ccc(cc1)N1CCN(C)CC1)[C@H]1CNC(=O)C1 |r|

BDBM375949

C[C@@H](Oc1nc(cc2nn(C)cc12)-c1cnn(CCC(F)(F)F)c1)[C@H]1CNC(=O)C1 |r|

BDBM140376

C[C@@H](Oc1cc(cc2ncccc12)-c1ccc2CCNCc2c1)[C@H]1CNC(=O)C1 |r|

BDBM375980

COc1ccc(cn1)-c1cc2nn(C)cc2c(O[C@H](C)[C@H]2CNC(=O)C2)n1 |r|

BDBM375972

C[C@@H](Oc1nc(cc2nn(C)cc12)-c1ccc(nc1)C(F)F)[C@H]1CNC(=O)C1 |r|

BDBM375955

CC(C)Oc1ccc(cn1)-c1cc(O[C@H](C)[C@H]2CNC(=O)C2)c2cn(C)nc2c1 |r|

BDBM375940

C[C@@H](Oc1nc(cc2nn(C)cc12)-c1cnn(c1)C1CCCCO1)[C@H]1CNC(=O)C1 |r|

BDBM375967

C[C@@H](Oc1cc(cc2nn(C)cc12)-c1cnn(c1)C1CCNCC1)[C@H]1CNC(=O)C1 |r|

BDBM140280

C[C@@H](Oc1cc(cc2ncccc12)-c1ccccn1)[C@H]1CNC(=O)C1 |r|

BDBM25017

CC(C)CCN1C(C)C(=O)N(C)c2cnc(Nc3cc(F)c(O)c(F)c3)nc12

BDBM385041

Cn1cc(cn1)-c1ccc2cnc(NC(=O)C3CC3)cc2c1

BDBM385042

Cn1cc(cn1)-c1ccc2cnc(NC(=O)C3CCC(F)(F)CC3)cc2c1

BDBM385043

COC1CC[C@@H](CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1 |r,wD:5.8,(8.56,3.55,;8.57,2.01,;7.25,1.23,;7.19,-.39,;5.85,-1.16,;4.52,-.39,;4.52,1.16,;5.85,1.93,;3.19,-1.16,;3.19,-2.7,;1.85,-.39,;.52,-1.16,;-.82,-.39,;-2.15,-1.16,;-3.48,-.39,;-4.82,-1.16,;-4.82,-2.7,;-3.48,-3.47,;-2.15,-2.7,;-.82,-3.47,;.52,-2.7,;-6.15,-.39,;-7.61,-.86,;-8.52,.38,;-7.61,1.63,;-8.38,2.96,;-6.15,1.15,)|

BDBM385045

Cn1cc(cn1)-c1ccc2cnc(NC(=O)[C@H]3CC[C@@H](CC3)N3CCOCC3)cc2c1 |r,wU:19.23,wD:16.16,(-9.72,2.58,;-8.95,1.25,;-7.48,.77,;-7.48,-.77,;-8.95,-1.25,;-9.85,,;-6.15,-1.54,;-6.15,-3.08,;-4.82,-3.85,;-3.48,-3.08,;-2.15,-3.85,;-.82,-3.08,;-.82,-1.54,;.52,-.77,;1.85,-1.54,;1.85,-3.08,;3.19,-.77,;4.52,-1.54,;5.85,-.77,;5.85,.77,;4.52,1.54,;3.19,.77,;7.19,1.54,;8.52,.77,;9.85,1.54,;9.85,3.08,;8.52,3.85,;7.19,3.08,;-2.15,-.77,;-3.48,-1.54,;-4.82,-.77,)|

BDBM385046

Cn1cc(cn1)-c1ccc2cnc(NC(=O)[C@H]3CC[C@H](CN4CC(F)C4)CC3)cc2c1 |r,wU:19.20,wD:16.16,(-10.66,3.21,;-9.89,1.88,;-8.43,1.41,;-8.43,-.13,;-9.89,-.61,;-10.8,.64,;-7.09,-.9,;-7.09,-2.44,;-5.76,-3.21,;-4.43,-2.44,;-3.09,-3.21,;-1.76,-2.44,;-1.76,-.9,;-.43,-.13,;.91,-.9,;.91,-2.44,;2.24,-.13,;3.58,-.9,;4.91,-.13,;4.91,1.41,;6.24,2.18,;7.58,1.41,;7.98,-.08,;9.46,.32,;10.8,-.45,;9.06,1.8,;3.58,2.18,;2.24,1.41,;-3.09,-.13,;-4.43,-.9,;-5.76,-.13,)|

BDBM385054

CN1CCN(C[C@H]2CC[C@@H](CC2)C(=O)Nc2cc3cc(ccc3cn2)-c2cnn(C)c2)CC1 |r,wU:6.5,wD:9.12,(11.19,-.9,;9.85,-.13,;8.52,-.9,;7.19,-.13,;7.19,1.41,;5.85,2.18,;4.52,1.41,;4.52,-.13,;3.19,-.9,;1.85,-.13,;1.85,1.41,;3.19,2.18,;.52,-.9,;.52,-2.44,;-.82,-.13,;-2.15,-.9,;-3.48,-.13,;-4.82,-.9,;-6.15,-.13,;-7.48,-.9,;-7.48,-2.44,;-6.15,-3.21,;-4.82,-2.44,;-3.48,-3.21,;-2.15,-2.44,;-8.82,-.13,;-10.28,-.61,;-11.19,.64,;-10.28,1.88,;-11.05,3.21,;-8.82,1.41,;8.52,2.18,;9.85,1.41,)|

BDBM385056

Cn1cc(cn1)-c1ccc2cnc(NC(=O)C3CNC3)cc2c1

BDBM385060

Cn1cc(cn1)-c1ccc2cnc(NC(=O)CN3CC[C@H](F)C3)cc2c1 |r|

BDBM385064

Cn1cc(cn1)-c1ccc2cnc(NC(=O)[C@@H]3CCCO3)cc2c1 |r|

BDBM385067

Cn1cc(cn1)-c1ccc2cnc(NC(=O)C3CCNCC3)cc2c1

BDBM385069

CN1CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1

BDBM385073

CC(C)N1CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1

BDBM385078

Cn1cc(cn1)-c1ccc2cnc(NC(=O)C3CCN(CC3)C3CC3)cc2c1

BDBM385079

CC(C)CN1CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1

BDBM385080

Cn1cc(cn1)-c1ccc2cnc(NC(=O)C3CCN(CC(C)(C)C)CC3)cc2c1

BDBM385081

Cn1cc(cn1)-c1ccc2cnc(NC(=O)C3CCN(CCF)CC3)cc2c1

BDBM385082

Cn1cc(cn1)-c1ccc2cnc(NC(=O)C3CCN(CCC(F)(F)F)CC3)cc2c1

BDBM385083

Cn1cc(cn1)-c1ccc2cnc(NC(=O)C3CCN(CC(C)(F)F)CC3)cc2c1

BDBM385084

Cn1cc(cn1)-c1ccc2cnc(NC(=O)C3CCN(CC(F)F)CC3)cc2c1

BDBM385085

Cn1cc(cn1)-c1ccc2cnc(NC(=O)C3CCN(CC(C)(C)F)CC3)cc2c1

BDBM385086

Cn1cc(cn1)-c1ccc2cnc(NC(=O)C3CCN(CC3)C3COC3)cc2c1

BDBM385087

Cn1cc(cn1)-c1ccc2cnc(NC(=O)C3CCN(CC4(C)COC4)CC3)cc2c1

BDBM385088

COCCN1CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1

BDBM385089

CC(C)OCCN1CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1

BDBM385090

Cn1cc(cn1)-c1ccc2cnc(NC(=O)C3(F)CCNCC3)cc2c1

BDBM385091

CN1CCC(F)(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1

BDBM385092

CC(C)CN1CCC(F)(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1

BDBM385093

Cn1cc(cn1)-c1ccc2cnc(NC(=O)[C@H]3CCCNC3)cc2c1 |r|

BDBM385094

Cn1cc(cn1)-c1ccc2cnc(NC(=O)[C@@H]3CCCNC3)cc2c1 |r|

BDBM385095

CC(C)CN1CCC[C@@H](C1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1 |r|

BDBM385096

CC(C)CN1CCC[C@H](C1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1 |r|

BDBM385097

Cn1cc(cn1)-c1ccc2cnc(NC(=O)C3CCOCC3)cc2c1

BDBM385098

Cn1cc(cn1)-c1ccc2cnc(NC(=O)CN3CCCCC3)cc2c1

BDBM385099

Cn1cc(cn1)-c1ccc2cnc(NC(=O)CN3CCC(F)CC3)cc2c1

BDBM385100

CN1CCN(CC(=O)Nc2cc3cc(ccc3cn2)-c2cnn(C)c2)CC1

BDBM385101

Cc1ncc(-c2ccc3cnc(NC(=O)C4CC4)cc3c2)n1C

BDBM385102

Cc1ncc(-c2ccc3cnc(NC(=O)C4CCCCC4)cc3c2)n1C

BDBM385103

Cc1ncc(-c2ccc3cnc(NC(=O)C4CCC(F)(F)CC4)cc3c2)n1C

BDBM385104

Cc1ncc(-c2ccc3cnc(NC(=O)[C@@H]4CCCO4)cc3c2)n1C |r|

BDBM385105

Cn1nncc1-c1ccc2cnc(NC(=O)C3CCN(CCC(F)(F)F)CC3)cc2c1

BDBM385106

Cn1cncc1-c1ccc2cnc(NC(=O)C3CCN(CCC(F)(F)F)CC3)cc2c1

BDBM385107

Cn1cncc1-c1ccc2cnc(NC(=O)C3CCC(F)(F)CC3)cc2c1

BDBM385108

CN1CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1ccn(C)n1

BDBM385109

O=C(Nc1cc2cc(ccc2cn1)-c1cnc2CNCCn12)C1CC1

BDBM385110

CN1CCn2c(C1)ncc2-c1ccc2cnc(NC(=O)C3CC3)cc2c1

BDBM385111

CN1CCn2ncc(c2C1)-c1ccc2cnc(NC(=O)C3CC(F)(F)C3)cc2c1

BDBM385112

Cc1ncc(-c2ccc3cnc(NC(=O)C4CC(F)(F)C4)cc3c2)n1C

BDBM385113

Cn1cncc1-c1ccc2cnc(NC(=O)C3C(C)(C)C3(C)C)cc2c1

BDBM385114

Cn1nccc1-c1ccc2cnc(NC(=O)C3CCN(CCC(F)(F)F)CC3)cc2c1

BDBM385115

Cn1cc(nn1)-c1ccc2cnc(NC(=O)C3CCN(CCC(F)(F)F)CC3)cc2c1

BDBM385116

CC(C)CN1CCN(CC(=O)Nc2cc3cc(ccc3cn2)-c2cnn(C)c2)CC1

BDBM385117

Cn1cc(cn1)-c1ccc2cnc(NC(=O)CN3CC(C)(C)C3)cc2c1

BDBM385118

Cn1cc(cn1)-c1ccc2cnc(NC(=O)CN3CC[C@@H](F)C3)cc2c1 |r|

BDBM385119

Cn1cncc1-c1ccc2cnc(NC(=O)CN3CCCCC3)cc2c1

BDBM385120

Cn1cc(nn1)-c1ccc2cnc(NC(=O)CN3CCCCC3)cc2c1

BDBM385121

Cn1cc(nn1)-c1ccc2cnc(NC(=O)C3C(C)(C)C3(C)C)cc2c1

BDBM385122

Cn1cnnc1-c1ccc2cnc(NC(=O)C3CCN(CCC(F)(F)F)CC3)cc2c1

BDBM385123

Cc1nnc(-c2ccc3cnc(NC(=O)C4CCN(CCC(F)(F)F)CC4)cc3c2)n1C

BDBM385124

CC(C)CN1CCC(F)(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1nncn1C

BDBM385125

CC(C)CN1CCC(F)(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cn(C)nn1

BDBM385126

CCN1CCC(F)(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cn(C)nn1

BDBM385127

FCCN1CCn2ncc(c2C1)-c1ccc2cnc(NC(=O)C3CCC(F)(F)CC3)cc2c1

BDBM385128

Cn1cc(cn1)-c1ccc2cnc(NC(=O)CN3CCCC3)cc2c1

BDBM385129

CCn1cc(cn1)-c1ccc2cnc(NC(=O)CN3CCCC3)cc2c1

BDBM385130

O=C(CN1CCCC1)Nc1cc2cc(ccc2cn1)-c1cnn(c1)C1CC1

BDBM385131

FC(F)(F)c1[nH]ncc1-c1ccc2cnc(NC(=O)CN3CCCC3)cc2c1

BDBM385132

CC(N1CCCC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1

BDBM385133

C[C@@H]1CCCN1CC(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1 |r|

BDBM385134

C[C@H]1CCCN1CC(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1 |r|

BDBM385135

Cn1cc(cn1)-c1ccc2cnc(NC(=O)CN3CC4CC4C3)cc2c1

BDBM385136

Cn1cc(cn1)-c1ccc2cnc(NC(=O)CN3C4CCC3CC4)cc2c1

BDBM385137

CC1CCN(CC(=O)Nc2cc3cc(ccc3cn2)-c2cnn(C)c2)CC1

BDBM385138

Cn1cc(cn1)-c1ccc2cnc(NC(=O)CN3CCC(CC3)C(F)(F)F)cc2c1

BDBM385139

Cn1cc(cn1)-c1ccc2cnc(NC(=O)CN3CCC(CC3)C(F)F)cc2c1

BDBM385140

Cn1cc(cn1)-c1ccc2cnc(NC(=O)CN3CCC4(CC4)CC3)cc2c1

BDBM385141

FC(F)(F)CCN1CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(c1)C1CC1

BDBM385142

Cn1ncc(c1CN1CCC1)-c1ccc2cnc(NC(=O)C3CCC(F)(F)CC3)cc2c1

BDBM385143

Cn1ncc(c1CN1CCCC1)-c1ccc2cnc(NC(=O)C3CCC(F)(F)CC3)cc2c1

BDBM385144

Cn1ncc(c1CN1CCCCC1)-c1ccc2cnc(NC(=O)C3CCC(F)(F)CC3)cc2c1

BDBM385145

Cn1cc(cn1)-c1ccc2cnc(NC(=O)C3CC4(C3)CCN(CCF)CC4)cc2c1

BDBM385146

CN(CC(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1)C1CCC1

BDBM385147

CCN(CC)CC(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1

BDBM385151

Cc1cc(on1)-c1ccc2cnc(NC(=O)C3CCN(CCC(F)(F)F)CC3)cc2c1

BDBM385152

FC(F)(F)CCN1CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnco1

BDBM385153

CC(C)CN1CCC(F)(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1nnc(C)o1

BDBM385154

Cn1cc(cn1)-c1ccc2cnc(NC(=O)C3CCN(CC4(CC4)C(F)(F)F)CC3)cc2c1

BDBM385155

C[C@@H](CN1CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1)C(F)(F)F |r|

BDBM385156

Cn1cc(nn1)-c1ccc2cnc(NC(=O)C(C)(C)F)cc2c1

BDBM385157

C[C@@H](F)CN1CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1 |r|

BDBM385158

CC(N1CCCCC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1

BDBM385160

CN1CCN(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1

BDBM385161

C[C@H](N1CCCC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1 |r|

BDBM385162

C[C@@H](N1CCCC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1 |r|

BDBM385163

Cn1cc(cn1)-c1ccc2cnc(NC(=O)[C@H]3CCCN3)cc2c1 |r|

BDBM385164

CN1CC2(CC(C2)C(=O)Nc2cc3cc(ccc3cn2)-c2cnn(C)c2)C1

BDBM385165

Cn1cc(cn1)-c1ccc2cnc(NC(=O)C3CC4(C3)CN(C4)C(=O)C(F)(F)F)cc2c1

BDBM385166

Cn1cc(cn1)-c1ccc2cnc(NC(=O)C3CC4(C3)CN(CCF)C4)cc2c1

BDBM385167

CN(C)[C@H]1CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1 |r,wU:3.2,(9.19,1.16,;7.85,1.93,;7.85,3.47,;6.52,1.15,;6.52,-.39,;5.19,-1.15,;3.85,-.39,;3.85,1.15,;5.19,1.92,;2.52,-1.16,;2.52,-2.7,;1.18,-.39,;-.15,-1.16,;-1.48,-.39,;-2.82,-1.16,;-4.15,-.39,;-5.48,-1.16,;-5.48,-2.7,;-4.15,-3.47,;-2.82,-2.7,;-1.48,-3.47,;-.15,-2.7,;-6.82,-.39,;-8.28,-.86,;-9.19,.38,;-8.28,1.63,;-9.05,2.96,;-6.82,1.15,)|

BDBM385168

Cn1cc(cn1)-c1ccc2cnc(NC(=O)C3CCN(CC3)C(=O)c3ccccc3)cc2c1

BDBM385169

CC(=O)N1CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1

BDBM385170

Cn1cc(cn1)-c1ccc2cnc(NC(=O)C3CCN(CC3)S(C)(=O)=O)cc2c1

BDBM385171

CN1CCC(CC1)N1CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1

BDBM385172

Cn1cc(cn1)-c1ccc2cnc(NC(=O)C3CCN(CC3)C3CCOCC3)cc2c1

BDBM385173

Cn1cc(cn1)-c1ccc2cnc(NC(=O)[C@H]3CC[C@H](CO)CC3)cc2c1 |r,wU:19.20,wD:16.16,(-9.05,3.21,;-8.28,1.88,;-6.82,1.41,;-6.82,-.13,;-8.28,-.61,;-9.19,.64,;-5.48,-.9,;-5.48,-2.44,;-4.15,-3.21,;-2.82,-2.44,;-1.48,-3.21,;-.15,-2.44,;-.15,-.9,;1.18,-.13,;2.52,-.9,;2.52,-2.44,;3.85,-.13,;5.19,-.9,;6.52,-.13,;6.52,1.41,;7.85,2.18,;9.19,1.41,;5.19,2.18,;3.85,1.41,;-1.48,-.13,;-2.82,-.9,;-4.15,-.13,)|

BDBM385174

COC(=O)CN1CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1

BDBM385175

Cn1cc(cn1)-c1ccc2cnc(NC(=O)C3CCN(Cc4ccccc4)CC3)cc2c1

BDBM385176

Cn1cc(cn1)-c1ccc2cnc(NC(=O)C3CCN(CC3)C(=O)CN3CCCC3)cc2c1

BDBM385177

Cn1cc(cn1)-c1ccc2cnc(NC(=O)CN3CCOCC3)cc2c1

BDBM385178

Cn1cc(cn1)-c1ccc2cnc(NC(=O)[C@@H]3CCCCN3)cc2c1 |r|

BDBM385179

C[C@H]1COCCN1CC(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1 |r|

BDBM385180

C[C@@H]1COCCN1CC(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1 |r|

BDBM385181

C[C@H]1CN(CC(=O)Nc2cc3cc(ccc3cn2)-c2cnn(C)c2)CCO1 |r|

BDBM385182

C[C@H]1CN(CC(=O)Nc2cc3cc(ccc3cn2)-c2cnn(C)c2)C[C@@H](C)O1 |r|

BDBM385183

Cn1cc(cn1)-c1ccc2cnc(NC(=O)CN3C[C@@H]4C[C@H]3CO4)cc2c1 |r|

BDBM385184

Cn1cc(cn1)-c1ccc2cnc(NC(=O)CN3C[C@H]4C[C@@H]3CO4)cc2c1 |r|

BDBM385185

Cn1cc(cn1)-c1ccc2cnc(NC(=O)CN3C4CCC3COC4)cc2c1

BDBM385186

C[C@H](N1CCOCC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1 |r|

BDBM385187

Cn1cc(cn1)-c1ccc2cnc(NC(=O)CC3CNCCO3)cc2c1

BDBM385188

CN1CCOC(CC(=O)Nc2cc3cc(ccc3cn2)-c2cnn(C)c2)C1

BDBM385189

CCN1CCN(CC(=O)Nc2cc3cc(ccc3cn2)-c2cnn(C)c2)CC1

BDBM385190

CC(C)N1CCN(CC(=O)Nc2cc3cc(ccc3cn2)-c2cnn(C)c2)CC1

BDBM385191

Cn1cc(cn1)-c1ccc2cnc(NC(=O)CN3CCN(CC3)C3CC3)cc2c1

BDBM385192

Cn1cc(cn1)-c1ccc2cnc(NC(=O)CN3CCN(CCF)CC3)cc2c1

BDBM385193

C[C@H]1CN(C)CCN1CC(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1 |r|

BDBM385194

Cn1cc(cn1)-c1ccc2cnc(NC(=O)C3CCN(CCO)CC3)cc2c1

BDBM385195

Cn1cc(cn1)-c1ccc2cnc(NC(=O)C3CCN(Cc4ccccn4)CC3)cc2c1

BDBM385196

Cn1cc(cn1)-c1ccc2cnc(NC(=O)C3CCN(Cc4ncco4)CC3)cc2c1

BDBM385197

Cn1cc(cn1)-c1ccc2cnc(NC(=O)N3CN4CCCC4C3=O)cc2c1

BDBM385198

CN1CCC[C@@H]1C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1 |r|

BDBM385199

Cn1cc(cn1)-c1ccc2cnc(NC(=O)C3CC3)c(Cl)c2c1

BDBM385200

Cn1cc(cn1)-c1ccc2cnc(NC(=O)[C@H]3CC[C@H](N)CC3)cc2c1 |r,wU:19.20,wD:16.16,(-8.38,3.21,;-7.61,1.88,;-6.15,1.41,;-6.15,-.13,;-7.61,-.61,;-8.52,.64,;-4.82,-.9,;-4.82,-2.44,;-3.48,-3.21,;-2.15,-2.44,;-.82,-3.21,;.52,-2.44,;.52,-.9,;1.85,-.13,;3.19,-.9,;3.19,-2.44,;4.52,-.13,;5.85,-.9,;7.19,-.13,;7.19,1.41,;8.52,2.18,;5.85,2.18,;4.52,1.41,;-.82,-.13,;-2.15,-.9,;-3.48,-.13,)|

BDBM385201

Cn1cc(cn1)-c1cc(F)c2cnc(NC(=O)C3CCNCC3)cc2c1

BDBM385202

CC(C)CN1CCC(CC1)C(=O)Nc1cc2cc(cc(F)c2cn1)-c1cnn(C)c1

BDBM385203

Cn1cc(cn1)-c1cc(F)c2cnc(NC(=O)C3CCN(CCF)CC3)cc2c1

BDBM385204

Cn1cc(cn1)-c1cc2cc(NC(=O)C3CCNCC3)ncc2cc1F

BDBM385205

CC(C)CN1CCC(CC1)C(=O)Nc1cc2cc(-c3cnn(C)c3)c(F)cc2cn1

BDBM385206

Cn1cc(cn1)-c1cc2cc(NC(=O)C3CCN(CCF)CC3)ncc2cc1F

BDBM385207

CN1CCN(CC(=O)Nc2cc3cc(-c4cnn(C)c4)c(F)cc3cn2)CC1

BDBM385208

Cc1ncc(-c2ccc3cnc(NC(=O)C4(F)CC4)cc3c2)n1C

BDBM385209

Cn1cc(nn1)-c1ccc2cnc(NC(=O)C3CC3)cc2c1

BDBM385210

Cn1cc(nn1)-c1ccc2cnc(NC(=O)C3CCC(F)(F)CC3)cc2c1

BDBM385211

CN(C)[C@H]1CC[C@@H](CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cn(C)nn1 |r,wU:3.2,wD:6.9,(9.19,1.16,;7.85,1.93,;7.85,3.47,;6.52,1.15,;6.52,-.38,;5.19,-1.15,;3.85,-.38,;3.85,1.15,;5.19,1.93,;2.52,-1.15,;2.52,-2.69,;1.18,-.38,;-.15,-1.15,;-1.48,-.38,;-2.82,-1.15,;-4.15,-.38,;-5.48,-1.15,;-5.48,-2.69,;-4.15,-3.47,;-2.82,-2.69,;-1.48,-3.47,;-.15,-2.69,;-6.82,-.38,;-6.82,1.15,;-8.28,1.63,;-9.05,2.96,;-9.19,.38,;-8.28,-.86,)|

BDBM385212

CN1CCN(C[C@H]2CC[C@@H](CC2)C(=O)Nc2cc3cc(ccc3cn2)-c2cn(C)nn2)CC1 |r,wU:6.5,wD:9.12,(11.19,-.9,;9.85,-.13,;8.52,-.9,;7.19,-.13,;7.19,1.41,;5.85,2.18,;4.52,1.41,;4.52,-.13,;3.19,-.9,;1.85,-.13,;1.85,1.41,;3.19,2.18,;.52,-.9,;.52,-2.44,;-.82,-.13,;-2.15,-.9,;-3.48,-.13,;-4.82,-.9,;-6.15,-.13,;-7.48,-.9,;-7.48,-2.44,;-6.15,-3.21,;-4.82,-2.44,;-3.48,-3.21,;-2.15,-2.44,;-8.82,-.13,;-8.82,1.41,;-10.28,1.88,;-11.05,3.21,;-11.19,.64,;-10.28,-.61,;8.52,2.18,;9.85,1.41,)|

BDBM385213

Cn1cc(nn1)-c1ccc2cnc(NC(=O)C3CCNCC3)cc2c1

BDBM385214

CC(C)CN1CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cn(C)nn1

BDBM385215

Cn1cc(nn1)-c1ccc2cnc(NC(=O)C3CCN(CC4(CC4)C(F)(F)F)CC3)cc2c1

BDBM385216

Cn1cc(nn1)-c1ccc2cnc(NC(=O)C3CCN(CC4(C)COC4)CC3)cc2c1

BDBM385217

Cn1cc(nn1)-c1ccc2cnc(NC(=O)C3CCN(CC3)C(=O)CN3CCCC3)cc2c1

BDBM385218

CN1CCC(CC1)N1CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cn(C)nn1

BDBM385219

Cn1cc(nn1)-c1ccc2cnc(NC(=O)[C@@H]3CCCNC3)cc2c1 |r|

BDBM385220

CC(C)CN1CCC[C@H](C1)C(=O)Nc1cc2cc(ccc2cn1)-c1cn(C)nn1 |r|

BDBM385221

Cn1cc(nn1)-c1ccc2cnc(NC(=O)CN3CCCC3)cc2c1

BDBM385222

CN1CCN(CC(=O)Nc2cc3cc(ccc3cn2)-c2cn(C)nn2)CC1

BDBM385223

Cn1cc(nn1)-c1ccc2cnc(NC(=O)CN3C4CCC3CC4)cc2c1

BDBM385224

Cn1cncc1-c1ccc2cnc(NC(=O)C(C)(C)F)cc2c1

BDBM385225

Cn1cncc1-c1ccc2cnc(NC(=O)C3(F)CC3)cc2c1

BDBM385226

CN1CC2(CC(C2)C(=O)Nc2cc3cc(ccc3cn2)-c2cncn2C)C1

BDBM385227

Cn1cncc1-c1ccc2cnc(NC(=O)C3(F)CCCCC3)cc2c1

BDBM385228

CO[C@H]1CC[C@@H](CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cncn1C |r,wU:2.1,wD:5.8,(8.57,3.49,;8.57,1.95,;7.23,1.18,;7.19,-.38,;5.85,-1.15,;4.52,-.38,;4.52,1.15,;5.85,1.93,;3.19,-1.15,;3.19,-2.69,;1.85,-.38,;.52,-1.15,;-.82,-.38,;-2.15,-1.15,;-3.48,-.38,;-4.82,-1.15,;-4.82,-2.69,;-3.48,-3.47,;-2.15,-2.69,;-.82,-3.47,;.52,-2.69,;-6.15,-.38,;-7.61,-.86,;-8.52,.38,;-7.61,1.63,;-6.15,1.15,;-4.82,1.93,)|

BDBM385229

Cn1cncc1-c1ccc2cnc(NC(=O)[C@H]3CC[C@H](CO)CC3)cc2c1 |r,wU:19.20,wD:16.16,(-5.48,2.69,;-6.82,1.93,;-8.28,2.4,;-9.19,1.15,;-8.28,-.09,;-6.82,.38,;-5.48,-.38,;-5.48,-1.93,;-4.15,-2.69,;-2.82,-1.93,;-1.48,-2.69,;-.15,-1.93,;-.15,-.38,;1.18,.38,;2.52,-.38,;2.52,-1.93,;3.85,.38,;5.19,-.38,;6.52,.38,;6.52,1.93,;7.85,2.69,;9.19,1.93,;5.19,2.69,;3.85,1.93,;-1.48,.38,;-2.82,-.38,;-4.15,.38,)|

BDBM385230

Cn1cncc1-c1ccc2cnc(NC(=O)C3CNC3)cc2c1

BDBM385231

Cn1cncc1-c1ccc2cnc(NC(=O)[C@H]3CCCO3)cc2c1 |r|

BDBM385232

COCCN1CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cncn1C

BDBM385233

CC(C)CN1CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cncn1C

BDBM385234

Cn1cncc1-c1ccc2cnc(NC(=O)C3CCN(CC3)S(C)(=O)=O)cc2c1

BDBM385235

CC(N1CCCC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cncn1C

BDBM385236

CC(C)CN1CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cn[nH]c1

BDBM385237

FC1(F)CC(C1)C(=O)Nc1cc2cc(ccc2cn1)-c1cncs1

BDBM385238

CN1CC2(CC(C2)C(=O)Nc2cc3cc(ccc3cn2)-c2cncs2)C1

BDBM385239

FC1(CCCCC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cncs1

BDBM385240

CN(C)[C@H]1CC[C@@H](CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cncs1 |r,wU:3.2,wD:6.9,(9.19,1.15,;7.85,1.93,;7.85,3.47,;6.52,1.15,;6.52,-.38,;5.19,-1.15,;3.85,-.38,;3.85,1.15,;5.19,1.93,;2.52,-1.15,;2.52,-2.69,;1.18,-.38,;-.15,-1.15,;-1.48,-.38,;-2.82,-1.15,;-4.15,-.38,;-5.48,-1.15,;-5.48,-2.69,;-4.15,-3.47,;-2.82,-2.69,;-1.48,-3.47,;-.15,-2.69,;-6.82,-.38,;-8.28,-.86,;-9.19,.38,;-8.28,1.63,;-6.82,1.15,)|

BDBM385241

FC1CN(C[C@H]2CC[C@@H](CC2)C(=O)Nc2cc3cc(ccc3cn2)-c2cncs2)C1 |r,wU:5.4,wD:8.11,(10.8,.07,;9.46,.84,;7.98,.44,;7.58,1.93,;6.24,2.69,;4.91,1.93,;4.91,.38,;3.58,-.38,;2.24,.38,;2.24,1.93,;3.58,2.69,;.91,-.38,;.91,-1.93,;-.43,.38,;-1.76,-.38,;-3.09,.38,;-4.43,-.38,;-5.76,.38,;-7.09,-.38,;-7.09,-1.93,;-5.76,-2.69,;-4.43,-1.93,;-3.09,-2.69,;-1.76,-1.93,;-8.43,.38,;-9.89,-.09,;-10.8,1.15,;-9.89,2.4,;-8.43,1.93,;9.06,2.32,)|

BDBM385242

O=C(Nc1cc2cc(ccc2cn1)-c1cncs1)C1CNC1

BDBM385243

CN1CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cncs1

BDBM385244

CC(F)(F)CN1CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cncs1

BDBM385245

O=C(Nc1cc2cc(ccc2cn1)-c1cncs1)C1CCN(CC1)C1COC1

BDBM385246

O=C(CN1CCCC1)N1CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cncs1

BDBM385247

CN1CCC(CC1)N1CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cncs1

BDBM385248

CC(N1CCCC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cncs1

BDBM385249

O=C(CN1CCCCC1)Nc1cc2cc(ccc2cn1)-c1cncs1

BDBM385250

CN1CCN(CC(=O)Nc2cc3cc(ccc3cn2)-c2cncs2)CC1

BDBM385251

O=C(CN1CCOCC1)Nc1cc2cc(ccc2cn1)-c1cncs1

BDBM385252

Cn1ncc(c1CN1CCCCC1)-c1ccc2cnc(NC(=O)C(C)(C)F)cc2c1

BDBM385253

CCN(CC)CC(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1CN1CCCCC1

BDBM385254

Cn1ncc(c1CN1CCCCC1)-c1ccc2cnc(NC(=O)C3CC4(C3)CN(CCF)C4)cc2c1

BDBM385255

CO[C@H]1CC[C@@H](CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1CN1CCCCC1 |r,wU:2.1,wD:5.8,(8.57,1.87,;8.57,.33,;7.23,-.44,;7.19,-2.01,;5.85,-2.78,;4.52,-2.01,;4.52,-.47,;5.85,.3,;3.19,-2.78,;3.19,-4.32,;1.85,-2.01,;.52,-2.78,;-.82,-2.01,;-2.15,-2.78,;-3.48,-2.01,;-4.82,-2.78,;-4.82,-4.32,;-3.48,-5.09,;-2.15,-4.32,;-.82,-5.09,;.52,-4.32,;-6.15,-2.01,;-7.61,-2.48,;-8.52,-1.24,;-7.61,.01,;-8.38,1.34,;-6.15,-.47,;-5.06,.62,;-5.46,2.11,;-4.37,3.2,;-4.77,4.69,;-6.26,5.09,;-7.35,4,;-6.95,2.51,)|

BDBM385256

Cn1ncc(c1CN1CCCCC1)-c1ccc2cnc(NC(=O)[C@H]3CC[C@H](CO)CC3)cc2c1 |r,wU:26.28,wD:23.24,(-9.05,1.34,;-8.28,.01,;-9.19,-1.24,;-8.28,-2.48,;-6.82,-2.01,;-6.82,-.47,;-5.73,.62,;-6.13,2.11,;-5.04,3.2,;-5.44,4.69,;-6.92,5.09,;-8.01,4,;-7.61,2.51,;-5.48,-2.78,;-5.48,-4.32,;-4.15,-5.09,;-2.82,-4.32,;-1.48,-5.09,;-.15,-4.32,;-.15,-2.78,;1.18,-2.01,;2.52,-2.78,;2.52,-4.32,;3.85,-2.01,;5.19,-2.78,;6.52,-2.01,;6.52,-.47,;7.85,.3,;9.19,-.47,;5.19,.3,;3.85,-.47,;-1.48,-2.01,;-2.82,-2.78,;-4.15,-2.01,)|

BDBM385257

Cn1ncc(c1CN1CCCCC1)-c1ccc2cnc(NC(=O)[C@H]3CCCN3)cc2c1 |r|

BDBM385258

CC(C)CN1CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1CN1CCCCC1

BDBM385259

Cn1ncc(c1CN1CCCCC1)-c1ccc2cnc(NC(=O)C3CCN(CC3)C3COC3)cc2c1

BDBM385260

Cn1ncc(c1CN1CCCCC1)-c1ccc2cnc(NC(=O)C3CCN(CC3)C(=O)c3ccccc3)cc2c1

BDBM385261

Cn1ncc(c1CN1CCCCC1)-c1ccc2cnc(NC(=O)C3CCOCC3)cc2c1

BDBM385262

CC1CCN(CC(=O)Nc2cc3cc(ccc3cn2)-c2cnn(C)c2CN2CCCCC2)CC1

BDBM385263

Cc1nnc(s1)-c1ccc2cnc(NC(=O)C3(F)CCCCC3)cc2c1

BDBM385264

CO[C@H]1CC[C@@H](CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1nnc(C)s1 |r,wU:2.1,wD:5.8,(8.57,3.49,;8.57,1.95,;7.23,1.18,;7.19,-.38,;5.85,-1.15,;4.52,-.38,;4.52,1.15,;5.85,1.93,;3.19,-1.15,;3.19,-2.69,;1.85,-.38,;.52,-1.15,;-.82,-.38,;-2.15,-1.15,;-3.48,-.38,;-4.82,-1.15,;-4.82,-2.69,;-3.48,-3.47,;-2.15,-2.69,;-.82,-3.47,;.52,-2.69,;-6.15,-.38,;-7.61,-.86,;-8.52,.38,;-7.61,1.63,;-8.38,2.96,;-6.15,1.15,)|

BDBM385265

Cc1nnc(s1)-c1ccc2cnc(NC(=O)[C@H]3CC[C@H](CO)CC3)cc2c1 |r,wU:19.20,wD:16.16,(-9.05,3.21,;-8.28,1.88,;-9.19,.64,;-8.28,-.61,;-6.82,-.13,;-6.82,1.41,;-5.48,-.9,;-5.48,-2.44,;-4.15,-3.21,;-2.82,-2.44,;-1.48,-3.21,;-.15,-2.44,;-.15,-.9,;1.18,-.13,;2.52,-.9,;2.52,-2.44,;3.85,-.13,;5.19,-.9,;6.52,-.13,;6.52,1.41,;7.85,2.18,;9.19,1.41,;5.19,2.18,;3.85,1.41,;-1.48,-.13,;-2.82,-.9,;-4.15,-.13,)|

BDBM385266

Cc1nnc(s1)-c1ccc2cnc(NC(=O)C3CCN(CCF)CC3)cc2c1

BDBM385267

Cc1nnc(s1)-c1ccc2cnc(NC(=O)C3CCN(CC3)C(=O)c3ccccc3)cc2c1

BDBM385268

Cc1nnc(s1)-c1ccc2cnc(NC(=O)CN3CCCC3)cc2c1

BDBM385269

Cc1nnc(s1)-c1ccc2cnc(NC(=O)CN3CCCCC3)cc2c1

BDBM385270

CN1CCN(CC(=O)Nc2cc3cc(ccc3cn2)-c2nnc(C)s2)CC1

BDBM385271

Cc1nnc(s1)-c1ccc2cnc(NC(=O)CN3CCOCC3)cc2c1

BDBM385272

C[C@@H]1COCCN1CC(=O)Nc1cc2cc(ccc2cn1)-c1nnc(C)s1 |r|

BDBM385273

Cc1nnc(s1)-c1ccc2cnc(NC(=O)CN3C4CCC3CC4)cc2c1

BDBM385274

Cc1nnc(s1)-c1ccc2cnc(NC(=O)CN3C[C@H]4C[C@@H]3CO4)cc2c1 |r|

BDBM385275

Cc1nnc(s1)-c1ccc2cnc(NC(=O)CN3C4CCC3COC4)cc2c1

BDBM385276

Cc1nnc(s1)-c1cc(F)c2cnc(NC(=O)CN3CCOCC3)cc2c1

BDBM385277

Cn1cc(cn1)-c1ccc2cnc(NC(=O)C3CCN(CC3)S(=O)(=O)c3ccccc3)cc2c1

BDBM385279

CN1CCC(CC1)C(=O)Nc1cc2cc(-c3cnn(C)c3)c(F)cc2cn1

BDBM385280

CCN1CCC(CC1)C(=O)Nc1cc2cc(-c3cnn(C)c3)c(F)cc2cn1

BDBM385281

CN1CCN(CC(=O)Nc2cc3cc(cc(F)c3cn2)-c2cnn(C)c2)CC1

BDBM385282

CN1CCC(CC1)n1cc(cn1)-c1ccc2cnc(NC(=O)C3CCCCC3)cc2c1

BDBM385283

CN1CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnsc1

BDBM385286

O=C(Nc1cc2cc(ccc2cn1)-c1cnco1)C1CC1

BDBM385287

O=C(Nc1cc2cc(ccc2cn1)-c1cnco1)[C@H]1CCCO1 |r|

BDBM385288

O=C(Nc1cc2cc(ccc2cn1)-c1cnco1)[C@@H]1CCCNC1 |r|

BDBM385289

O=C(Nc1cc2cc(ccc2cn1)-c1cnco1)C1CCOCC1

BDBM385290

O=C(CN1CCCC1)N1CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnco1

BDBM385291

CN1CCC(CC1)N1CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnco1

BDBM385292

O=C(Nc1cc2cc(ccc2cn1)-c1cnco1)[C@@H]1CC[C@@H](CC1)N1CCOCC1 |r,wU:18.20,21.27,(1.85,-3.08,;1.85,-1.54,;.52,-.77,;-.82,-1.54,;-2.15,-.77,;-3.48,-1.54,;-4.82,-.77,;-6.15,-1.54,;-6.15,-3.08,;-4.82,-3.85,;-3.48,-3.08,;-2.15,-3.85,;-.82,-3.08,;-7.48,-.77,;-8.95,-1.25,;-9.85,,;-8.95,1.25,;-7.48,.77,;3.19,-.77,;4.52,-1.54,;5.85,-.77,;5.85,.77,;4.52,1.54,;3.19,.77,;7.19,1.54,;8.52,.77,;9.85,1.54,;9.85,3.08,;8.52,3.85,;7.19,3.08,)|

BDBM385293

CN(CC(=O)Nc1cc2cc(ccc2cn1)-c1cnco1)C1CCC1

BDBM385294

O=C(CN1CCCC1)Nc1cc2cc(ccc2cn1)-c1cnco1

BDBM385295

C[C@@H]1CCCN1CC(=O)Nc1cc2cc(ccc2cn1)-c1cnco1 |r|

BDBM385296

CN1CCN(CC(=O)Nc2cc3cc(ccc3cn2)-c2cnco2)CC1

BDBM385297

Cn1ncc(c1CO)-c1ccc2cnc(NC(=O)C3CCOCC3)cc2c1

BDBM385298

CN1CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1CO

BDBM385299

FC1(F)CC(C1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnc2CNCCn12

BDBM385300

O=C(Nc1cc2cc(ccc2cn1)-c1cnc2CNCCn12)[C@H]1CCCN1 |r|

BDBM385301

O=C(Nc1cc2cc(ccc2cn1)-c1cnc2CNCCn12)[C@@H]1CCCNC1 |r|

BDBM385302

CN1CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnc2CNCCn12

BDBM385303

FC(F)(F)C1(CN2CCC(CC2)C(=O)Nc2cc3cc(ccc3cn2)-c2cnc3CNCCn23)CC1

BDBM385304

O=C(Nc1cc2cc(ccc2cn1)-c1cnc2CNCCn12)C1CCN(CC1)C(=O)c1ccccc1

BDBM385305

Cn1ncc(c1CN1CCCCC1)-c1ccc2cnc(NC(=O)C3CC4(C3)CN(C4)C(=O)OC(C)(C)C)cc2c1

BDBM385306

Cc1ncc(s1)-c1ccc2cnc(NC(=O)CN3CCCC3)cc2c1

BDBM385307

Cc1ncc(s1)-c1ccc2cnc(NC(=O)CN3CCOCC3)cc2c1

BDBM385308

CN1CCN(CC(=O)Nc2cc3cc(ccc3cn2)-c2cnc(C)s2)CC1

BDBM385309

Cc1ncc(s1)-c1ccc2cnc(NC(=O)CN3C[C@H]4C[C@@H]3CO4)cc2c1 |r|

BDBM385310

FC(F)(F)C1(CN2CCC(CC2)C(=O)Nc2cc3cc(ccc3cn2)-c2cnn3CCNCc23)CC1

BDBM385311

FCCN1CCn2ncc(c2C1)-c1ccc2cnc(NC(=O)C3CCN(CC4(CC4)C(F)(F)F)CC3)cc2c1

BDBM385312

FCCN1CCn2ncc(c2C1)-c1ccc2cnc(NC(=O)CN3CCCC3)cc2c1

BDBM385313

FCCN1CCn2ncc(c2C1)-c1ccc2cnc(NC(=O)CN3C4CCC3CC4)cc2c1

BDBM385314

COC1CC[C@@H](CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1nnc(C)s1 |r,wU:5.8,(8.56,3.55,;8.57,2.01,;7.25,1.23,;5.85,1.93,;4.52,1.16,;4.52,-.39,;5.85,-1.16,;7.19,-.39,;3.19,-1.16,;3.19,-2.7,;1.85,-.39,;.52,-1.16,;-.82,-.39,;-2.15,-1.16,;-3.48,-.39,;-4.82,-1.16,;-4.82,-2.7,;-3.48,-3.47,;-2.15,-2.7,;-.82,-3.47,;.52,-2.7,;-6.15,-.39,;-7.61,-.86,;-8.52,.38,;-7.61,1.63,;-8.38,2.96,;-6.15,1.15,)|

BDBM385315

CC(C)CN1CCCC(C1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn2CCN(CCF)Cc12

BDBM385316

Cn1cc(cn1)-c1ccc2cnc(NC(=O)C3CCN(Cc4ncccn4)CC3)cc2c1

BDBM385317

Cn1cc(cn1)-c1ccc2cnc(NC(=O)C3CCN(Cc4cnccn4)CC3)cc2c1

BDBM385318

Cc1nc(CN2CCC(CC2)C(=O)Nc2cc3cc(ccc3cn2)-c2cnn(C)c2)no1

BDBM385319

Cn1cc(cn1)-c1ccc2cnc(NC(=O)C3CCN(CC(C)(C)O)CC3)cc2c1

BDBM385320

CN1CCN(CN2CCC(CC2)C(=O)Nc2cc3cc(ccc3cn2)-c2cnco2)CC1

BDBM385321

CC(C)OCC(=O)Nc1cc2cc(ccc2cn1)-c1cncn1C

BDBM385322

CC(C)OCCC(=O)Nc1cc2cc(ccc2cn1)-c1cncn1C

BDBM385323

Cn1cc(cn1)-c1ccc2cnc(NC(=O)C3CCN(CC(=O)OC(C)(C)C)CC3)cc2c1

BDBM385324

Cn1cc(cn1)-c1ccc2cnc(NC(=O)C3CCN(CC(O)=O)CC3)cc2c1

BDBM385325

CN1CCCN(CC(=O)Nc2cc3cc(ccc3cn2)-c2cnn(C)c2)CC1

BDBM385326

Cn1cc(cn1)-c1cc2cc(NC(=O)C3CCNCC3)ncc2cc1Cl

BDBM385328

Cn1cc(cn1)-c1cc2cc(NC(=O)CN3CCCCC3)ncc2cc1F

BDBM385329

Cn1cc(cn1)-c1cc(F)c2cnc(NC(=O)CN3CCCCC3)cc2c1

BDBM385330

CN(C)[C@H]1CC[C@@H](CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnc(C)o1 |r,wU:3.2,wD:6.9,(9.19,1.16,;7.85,1.93,;7.85,3.47,;6.52,1.16,;6.52,-.39,;5.19,-1.16,;3.85,-.39,;3.85,1.16,;5.19,1.93,;2.52,-1.16,;2.52,-2.7,;1.18,-.39,;-.15,-1.16,;-1.48,-.39,;-2.82,-1.16,;-4.15,-.39,;-5.48,-1.16,;-5.48,-2.7,;-4.15,-3.47,;-2.82,-2.7,;-1.48,-3.47,;-.15,-2.7,;-6.82,-.39,;-8.28,-.86,;-9.19,.38,;-8.28,1.63,;-9.05,2.96,;-6.82,1.15,)|

BDBM385331

Cc1ncc(o1)-c1ccc2cnc(NC(=O)[C@@H]3CC[C@H](CN4CC(F)C4)CC3)cc2c1 |r,wU:16.16,19.20,(-10.66,3.21,;-9.89,1.88,;-10.8,.64,;-9.89,-.61,;-8.43,-.13,;-8.43,1.41,;-7.09,-.9,;-7.09,-2.44,;-5.76,-3.21,;-4.43,-2.44,;-3.09,-3.21,;-1.76,-2.44,;-1.76,-.9,;-.43,-.13,;.91,-.9,;.91,-2.44,;2.24,-.13,;3.58,-.9,;4.91,-.13,;4.91,1.41,;6.24,2.18,;7.58,1.41,;7.98,-.08,;9.46,.32,;10.8,-.45,;9.06,1.8,;3.58,2.18,;2.24,1.41,;-3.09,-.13,;-4.43,-.9,;-5.76,-.13,)|

BDBM385332

CN1CCN(CC(=O)Nc2cc3cc(ccc3cn2)-c2cnc(C)o2)CC1

BDBM385333

CC(C)CN1CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1nnc(C)o1

BDBM385334

CC(C)CN1CCC(F)(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnc2CNCCn12

BDBM385335

FCCN1CCn2ncc(c2C1)-c1ccc2cnc(NC(=O)C3CCNCC3)cc2c1

BDBM385336

CC(C)CN1CCC(F)(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn2CCN(CCF)Cc12

BDBM385337

CN1CCN(CC(=O)Nc2cc3cc(ccc3cn2)-c2cnn3CCN(CCF)Cc23)CC1

BDBM385338

Cn1cc(cn1)-c1ccc2cnc(NC(=O)OC(C)(C)C)cc2c1

BDBM385339

CC#CC(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1

BDBM385340

CN1CCC(CC1)C(=O)Nc1cc2cc(-c3cnn(C)c3)c(Cl)cc2cn1

BDBM385341

Cc1ncc(o1)-c1ccc2cnc(NC(=O)CN3CCCCC3)cc2c1

BDBM385342

Cc1nnc(s1)-c1ccc2cnc(NC(=O)CN3CC4CCC(C3)O4)cc2c1

BDBM385343

C[C@@H]1CCCN1CC(=O)Nc1cc2cc(ccc2cn1)-c1cnc2CNCCn12 |r|

BDBM385344

CN(CC(=O)Nc1cc2cc(ccc2cn1)-c1cnc2CNCCn12)C1CCC1

BDBM385345

Cn1cc(cn1)-c1ccc2cnc(NC(=O)[C@H]3CCC(CC3)C(O)=O)cc2c1 |r,wD:16.16,(-9.05,2.96,;-8.28,1.63,;-6.82,1.15,;-6.82,-.39,;-8.28,-.86,;-9.19,.38,;-5.48,-1.16,;-5.48,-2.7,;-4.15,-3.47,;-2.82,-2.7,;-1.48,-3.47,;-.15,-2.7,;-.15,-1.16,;1.18,-.39,;2.52,-1.16,;2.52,-2.7,;3.85,-.39,;5.19,-1.16,;6.52,-.39,;6.58,1.23,;5.19,1.93,;3.85,1.16,;7.91,2.01,;9.25,1.26,;7.89,3.55,;-1.48,-.39,;-2.82,-1.16,;-4.15,-.39,)|

BDBM385346

Cn1cc(cn1)-c1ccc2cnc(NC(=O)CCN3CCOCC3)cc2c1

BDBM385347

Cn1cc(cn1)-c1ccc2cnc(NC(=O)C3C[C@@H](C3)N3CCOCC3)cc2c1 |r,wU:18.21,(-9.33,2.81,;-8.56,1.47,;-7.09,1,;-7.09,-.54,;-8.56,-1.02,;-9.46,.23,;-5.76,-1.31,;-5.76,-2.85,;-4.43,-3.62,;-3.09,-2.85,;-1.76,-3.62,;-.43,-2.85,;-.43,-1.31,;.91,-.54,;2.24,-1.31,;2.24,-2.85,;3.58,-.54,;5.06,-.94,;5.46,.54,;3.97,.94,;6.8,1.31,;8.13,.54,;9.46,1.31,;9.46,2.85,;8.13,3.62,;6.8,2.85,;-1.76,-.54,;-3.09,-1.31,;-4.43,-.54,)|

BDBM385348

CN(C1CCN(C)CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1

BDBM385349

CNc1ncc(s1)-c1ccc2cnc(NC(=O)C3CCNCC3)cc2c1

BDBM385350

CNc1ncc(s1)-c1ccc2cnc(NC(=O)C3CCN(C)CC3)cc2c1

BDBM385351

CCN(CC)c1ncc(s1)-c1ccc2cnc(NC(=O)CN3CCC(F)CC3)cc2c1

BDBM385352

CCN(CC)c1ncc(s1)-c1ccc2cnc(NC(=O)CN3CCN(C)CC3)cc2c1

BDBM385353

Cc1nnc(s1)-c1ccc2cnc(NC(=O)CN3CCCOCC3)cc2c1

BDBM385356

CC(F)(F)CN1CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnco1

BDBM385357

Cc1ncc(o1)-c1ccc2cnc(NC(=O)C3C[C@@H](C3)N3CCOCC3)cc2c1 |r,wU:18.21,(-9.33,2.81,;-8.56,1.47,;-9.46,.23,;-8.56,-1.02,;-7.09,-.54,;-7.09,1,;-5.76,-1.31,;-5.76,-2.85,;-4.43,-3.62,;-3.09,-2.85,;-1.76,-3.62,;-.43,-2.85,;-.43,-1.31,;.91,-.54,;2.24,-1.31,;2.24,-2.85,;3.58,-.54,;5.06,-.94,;5.46,.54,;3.97,.94,;6.8,1.31,;8.13,.54,;9.46,1.31,;9.46,2.85,;8.13,3.62,;6.8,2.85,;-1.76,-.54,;-3.09,-1.31,;-4.43,-.54,)|

BDBM385358

Cc1ncc(o1)-c1ccc2cnc(NC(=O)[C@H]3CC[C@@H](CC3)N3CCOCC3)cc2c1 |r,wU:19.23,wD:16.16,(-9.72,2.58,;-8.95,1.25,;-9.85,,;-8.95,-1.25,;-7.48,-.77,;-7.48,.77,;-6.15,-1.54,;-6.15,-3.08,;-4.82,-3.85,;-3.48,-3.08,;-2.15,-3.85,;-.82,-3.08,;-.82,-1.54,;.52,-.77,;1.85,-1.54,;1.85,-3.08,;3.19,-.77,;4.52,-1.54,;5.85,-.77,;5.85,.77,;4.52,1.54,;3.19,.77,;7.19,1.54,;8.52,.77,;9.85,1.54,;9.85,3.08,;8.52,3.85,;7.19,3.08,;-2.15,-.77,;-3.48,-1.54,;-4.82,-.77,)|

BDBM385359

Cc1ncc(o1)-c1ccc2cnc(NC(=O)CN3CCOCC3)cc2c1

BDBM385360

Cc1ncc(o1)-c1ccc2cnc(NC(=O)CCN3CCOCC3)cc2c1

BDBM385361

Cc1nnc(o1)-c1ccc2cnc(NC(=O)C3CCN(CC(C)(C)O)CC3)cc2c1

BDBM385362

Cn1cc(cn1)-c1ccc2cnc(NC(=O)C34CCN(CC3)CC4)cc2c1

BDBM385363

CC(C)CN1CCC(F)(CC1)C(=O)Nc1cc2cc(ccc2cn1)-n1nccn1

BDBM385364

CC(C)CN1CCC(F)(CC1)C(=O)Nc1cc2cc(ccc2cn1)-n1ccnn1

BDBM385365

CN(C)c1nnc(o1)-c1ccc2cnc(NC(=O)C3CCNCC3)cc2c1

BDBM385366

CN(C)c1nnc(o1)-c1ccc2cnc(NC(=O)C3CCN(C)CC3)cc2c1

BDBM385367

COC1CCN(CC(=O)Nc2cc3cc(ccc3cn2)-c2cnn(C)c2)CC1

BDBM385368

Cn1cc(cn1)-c1ccc2cnc(NC(=O)CN3CCC(O)CC3)cc2c1

BDBM385369

CC(C)CN1CCCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1

BDBM385370

CN1CCCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1

BDBM385371

CN(C)[C@H]1CC[C@H](CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1 |r,wU:6.9,3.2,(9.19,1.16,;7.85,1.93,;7.85,3.47,;6.52,1.16,;6.52,-.39,;5.19,-1.16,;3.85,-.39,;3.85,1.16,;5.19,1.93,;2.52,-1.16,;2.52,-2.7,;1.18,-.39,;-.15,-1.16,;-1.48,-.39,;-2.82,-1.16,;-4.15,-.39,;-5.48,-1.16,;-5.48,-2.7,;-4.15,-3.47,;-2.82,-2.7,;-1.48,-3.47,;-.15,-2.7,;-6.82,-.39,;-8.28,-.86,;-9.19,.38,;-8.28,1.63,;-9.05,2.96,;-6.82,1.15,)|

BDBM385372

CN(C)[C@H]1CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnc(C)o1 |r,wU:3.2,(9.19,1.16,;7.85,1.93,;7.85,3.47,;6.52,1.16,;6.52,-.39,;5.19,-1.16,;3.85,-.39,;3.85,1.16,;5.19,1.93,;2.52,-1.16,;2.52,-2.7,;1.18,-.39,;-.15,-1.16,;-1.48,-.39,;-2.82,-1.16,;-4.15,-.39,;-5.48,-1.16,;-5.48,-2.7,;-4.15,-3.47,;-2.82,-2.7,;-1.48,-3.47,;-.15,-2.7,;-6.82,-.39,;-8.28,-.86,;-9.19,.38,;-8.28,1.63,;-9.05,2.96,;-6.82,1.15,)|

BDBM385373

Cn1cc(cn1)-c1ccc2cnc(NC(=O)C34CC(CO)(C3)C4)cc2c1

BDBM385374

COC(=O)C1CC[C@@H](CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1 |r,wD:7.10,(9.91,2.04,;8.58,1.26,;7.24,2.01,;7.22,3.55,;5.92,1.23,;5.85,-.39,;4.52,-1.16,;3.19,-.39,;3.19,1.16,;4.52,1.93,;1.85,-1.16,;1.85,-2.7,;.52,-.39,;-.82,-1.16,;-2.15,-.39,;-3.48,-1.16,;-4.82,-.39,;-6.15,-1.16,;-6.15,-2.7,;-4.82,-3.47,;-3.48,-2.7,;-2.15,-3.47,;-.82,-2.7,;-7.48,-.39,;-8.95,-.86,;-9.85,.38,;-8.95,1.63,;-9.72,2.96,;-7.48,1.15,)|

BDBM385378

CN1CCN(CC23CC(C2)(C3)C(=O)Nc2cc3cc(ccc3cn2)-c2cnn(C)c2)CC1

BDBM385379

CN1CCC(CC1)NC(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1

BDBM385380

CN1CCN(CC1)C(=O)[C@H]1CC[C@@H](CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1 |r,wU:12.16,wD:9.9,(11.19,-1.16,;9.85,-.39,;8.52,-1.16,;7.19,-.39,;7.19,1.16,;8.52,1.93,;9.85,1.16,;5.85,1.93,;5.85,3.47,;4.52,1.16,;3.19,1.93,;1.85,1.16,;1.85,-.39,;3.19,-1.16,;4.52,-.39,;.52,-1.16,;.52,-2.7,;-.82,-.39,;-2.15,-1.16,;-3.48,-.39,;-4.82,-1.16,;-6.15,-.39,;-7.48,-1.16,;-7.48,-2.7,;-6.15,-3.47,;-4.82,-2.7,;-3.48,-3.47,;-2.15,-2.7,;-8.82,-.39,;-10.28,-.86,;-11.19,.38,;-10.28,1.63,;-11.05,2.96,;-8.82,1.15,)|

BDBM385381

CC(C)CN1CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1nnnn1C

BDBM385382

Cn1nnc(n1)-c1ccc2cnc(NC(=O)CN3CCCC3)cc2c1

BDBM394122

CNC1=NC(NC(=O)N1)c1ccccc1C |t:2|

BDBM394123

CCNC1=NC(NC(=O)N1)c1ccc(F)cc1 |t:3|

BDBM394126

CCCNC1=NC(NC(=O)N1)c1ccc(F)cc1 |t:4|

BDBM394127

Fc1ccc(cc1)C1NC(=O)NC(Nc2ccccc2)=N1 |c:21|

BDBM31559

COc1ccc(CSc2nnc(o2)-c2ccc3OCOc3c2)cc1F

BDBM31560

COc1ccc(CSc2nnc(o2)-c2ccc3OCCc3c2)cc1F

BDBM31561

C(Sc1nnc(o1)-c1ccc2OCCc2c1)c1ccccc1

BDBM31562

Fc1cccc(CSc2nnc(o2)-c2ccc3OCCc3c2)c1

BDBM31563

COc1ccc(CSc2nnc(o2)-c2ccc3OCCc3c2)cc1

BDBM31564

Clc1cccc(CSc2nnc(o2)-c2ccc3OCCc3c2)c1

BDBM31565

Clc1ccccc1CSc1nnc(o1)-c1ccc2OCCc2c1

BDBM31566

Clc1ccc(CSc2nnc(o2)-c2ccc3OCCc3c2)cc1

BDBM31567

N#Cc1cccc(CSc2nnc(o2)-c2ccc3OCCc3c2)c1

BDBM31568

FC(F)(F)c1cccc(CSc2nnc(o2)-c2ccc3OCCc3c2)c1

BDBM31569

COC(=O)c1cccc(CSc2nnc(o2)-c2ccc3OCCc3c2)c1

BDBM31570

COc1ccc(CSc2nnc(o2)-c2ccc3OCCc3c2)cc1Cl

BDBM31571

COc1ccc(CSc2nnc(o2)-c2ccc3OCCc3c2)cc1C#N

BDBM31572

COc1ccc(CSc2nnc(o2)-c2ccc3OCCc3c2)cc1C(F)(F)F

BDBM31573

Fc1cccc(CCc2nnc(o2)-c2ccc3OCCc3c2)c1

BDBM31574

Fc1cccc(CNc2nnc(o2)-c2ccc3OCCc3c2)c1

BDBM31575

Fc1cccc(COc2nnc(o2)-c2ccc3OCCc3c2)c1

BDBM31576

Fc1cccc(SCc2nnc(o2)-c2ccc3OCCc3c2)c1

BDBM31577

COc1ccc(CSc2nnc(o2)-c2ccc3occc3c2)cc1C(F)(F)F

BDBM31578

COc1ccc(CSc2nnc(o2)-c2ccc3ncsc3c2)cc1C(F)(F)F

BDBM31579

COc1ccc(CSc2nnc(o2)-c2ccc3[nH]ncc3c2)cc1C(F)(F)F

BDBM31580

COc1ccc(CSc2nnc(o2)-c2ccc3nccn3c2)cc1C(F)(F)F

BDBM31581

COc1ccc(CSc2nnc(o2)-c2ccc3ncccc3c2)cc1C(F)(F)F

BDBM31582

COc1ccc(cc1)-c1coc2ccc(cc12)-c1nnc(SCc2ccc(OC)c(c2)C(F)(F)F)o1

BDBM31583

COc1ccc(cc1)-c1coc2ccc(cc12)-c1nnc(SCc2cccc(c2)C(F)(F)F)o1

BDBM31584

COc1ccc(cc1)-c1coc2ccc(cc12)-c1nnc(SCc2cccc(c2)C#N)o1

BDBM31585

COc1ccc(cc1)-n1cnc2ccc(cc12)-c1nnc(SCc2ccc(OC)c(c2)C(F)(F)F)o1

BDBM31586

COc1ccc(cc1)-n1cnc2ccc(cc12)-c1nnc(SCc2cccc(c2)C(F)(F)F)o1

BDBM31587

COc1ccc(cc1)-n1cnc2ccc(cc12)-c1nnc(SCc2cccc(c2)C#N)o1

BDBM31588

Cn1cnc2ccc(cc12)-c1nnc(SCc2cccc(c2)C(F)(F)F)o1

BDBM35641

Cc1cnc(Nc2ccccc2)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1ccccc1 |r|

BDBM35642

Cc1cnc(Nc2ccccc2Cl)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1ccccc1 |r|

BDBM35643

Cc1ccccc1Nc1ncc(C)c(n1)-c1c[nH]c(c1)C(=O)N[C@H](CO)c1ccccc1 |r|

BDBM35644

CCc1ccccc1Nc1ncc(C)c(n1)-c1c[nH]c(c1)C(=O)N[C@H](CO)c1ccccc1 |r|

BDBM35645

Cc1cnc(Nc2ccccc2F)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1ccccc1 |r|

BDBM35646

Cc1cnc(Nc2ccccc2C(F)(F)F)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1ccccc1 |r|

BDBM35647

Cc1cnc(Nc2ccccc2O)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1ccccc1 |r|

BDBM35648

Cc1cnc(Nc2ccccc2)nc1-c1c[nH]c(c1)C(=O)N[C@@H](CO)c1ccccc1 |r|

BDBM35649

Cc1cnc(Nc2ccccc2)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(F)c1 |r|

BDBM35650

Cc1cnc(Nc2ccccc2)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1 |r|

BDBM35651

Cc1cccc(c1)[C@@H](CO)NC(=O)c1cc(c[nH]1)-c1nc(Nc2ccccc2)ncc1C |r|

BDBM35653

Cc1ccccc1Nc1ncc(C)c(n1)-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1 |r|

BDBM35654

Cc1cccc(Nc2ncc(C)c(n2)-c2c[nH]c(c2)C(=O)N[C@H](CO)c2cccc(Cl)c2)c1C |r|

BDBM35655

Cc1cnc(Nc2cccc(F)c2C)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1 |r|

BDBM35656

Cc1cc(Cl)ccc1Nc1ncc(C)c(n1)-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1 |r|

BDBM35657

Cc1cnc(Nc2ccc(F)cc2Cl)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1 |r|

BDBM35658

Cc1cnc(Nc2ccc(Cl)cc2F)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1 |r|

BDBM35659

CCc1ccccc1Nc1ncc(C)c(n1)-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1 |r|

BDBM35660

Cc1cnc(Nc2cccc3CCCc23)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1 |r|

BDBM35661

Cc1cnc(Nc2cccc3CCCCc23)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1 |r|

BDBM35662

Cc1cnc(Nc2cccc3OCOc23)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1 |r|

BDBM35663

Cc1cnc(Nc2cccc3OC(F)(F)Oc23)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1 |r|

BDBM35664

Cc1cnc(Nc2cccc3OCCOc23)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1 |r|

BDBM35665

COc1cccc(Nc2ncc(C)c(n2)-c2c[nH]c(c2)C(=O)N[C@H](CO)c2cccc(Cl)c2)c1OC |r|

BDBM36522

O=c1[nH]c(=O)c3c1c2ccc[n+]6c2c5c3c4ccccc4n5[Ru]6C#[O+]

BDBM36523

Oc1ccc2n3[Ru](C#N)[n+]4cccc5c6C(=O)NC(=O)c6c(c2c1)c3c45

BDBM36524

CN1C(=O)c2c(C1=O)c1ccc[n+]3[Ru](C#N)n4c5ccc(O)cc5c2c4c13

BDBM36525

Cn6c(=O)c5c1cc(F)c[n+]4c1c3c(c2cc(O)ccc2n3[Ru]4C#[O+])c5c6=O

BDBM5931

CC(C)(C)c1cnc(o1)CSc2cnc(s2)NC(=O)C3CCNCC3

BDBM25118

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

BDBM31099

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

BDBM6866

c1cc(c(c(c1)F)C(=O)n2c(nc(n2)Nc3ccc(cc3)S(=O)(=O)N)N)F

BDBM17055

CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |r,t:10|

BDBM31094

[H][C@@]12C[C@@H]([C@H](OC)[C@@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |TLB:11:10:9:4.3.2,17:33:9:4.3.2,THB:24:32:9:4.3.2,5:4:9:10.31.33.32,30:31:9:4.3.2|

BDBM13531

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

BDBM13336

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

BDBM31096

CN[C@H]1C[C@@H]2O[C@](C)([C@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13

BDBM50256043

NC1=NC(C(=O)N1)=C1CCNC(=O)c2[nH]c(Br)c(Br)c12 |w:3.2,t:1|

BDBM59102

NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]cc(Br)c12 |w:7.8,t:1|

BDBM59103

NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c(Cl)c(Cl)c12 |w:7.8,t:1|

BDBM59104

CC1CC(=C2NC(N)=NC2=O)c2c(Br)c(Br)[nH]c2C(=O)N1 |w:3.2,c:7|

BDBM59105

CC(=O)NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c(Br)c(Br)c12 |w:10.11,t:4|

BDBM59106

CCNC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c(Br)c(Br)c12 |w:9.10,t:3|

BDBM50256044

NC1=NC(C(=O)N1)=C1CCNC(=O)c2[nH]c3ccccc3c12 |w:3.2,t:1|

BDBM59107

NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c3ccc(F)cc3c12 |w:7.8,t:1|

BDBM59108

NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c3ccc(Cl)cc3c12 |w:7.8,t:1|

BDBM59109

NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c3ccc(Br)cc3c12 |w:7.8,t:1|

BDBM59110

CS(=O)(=O)c1ccc2[nH]c3c(C(CCNC3=O)=C3NC(N)=NC3=O)c2c1 |w:11.11,c:21|

BDBM59111

NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c3ccc(cc3c12)N(=O)=O |w:7.8,t:1|

BDBM59112

NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c3ccc(N)cc3c12 |w:7.8,t:1|

BDBM59113

NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c3c(cccc3c12)N(=O)=O |w:7.8,t:1|

BDBM59114

NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c3c(N)cccc3c12 |w:7.8,t:1|

BDBM59115

CC1CC(=C2NC(N)=NC2=O)c2c([nH]c3ccc(Br)cc23)C(=O)N1 |w:3.2,c:7|

BDBM59117

Nc1ncc([nH]1)C1CCNC(=O)c2[nH]c(Br)c(Br)c12

BDBM59118

OC(=O)c1ccccc1NN=C1CCNC(=O)c2[nH]c(Br)c(Br)c12 |w:10.10|

BDBM59119

OC(=O)c1ccc(NN=C2CCNC(=O)c3[nH]c(Br)c(Br)c23)cc1 |w:8.7|

BDBM59120

Brc1[nH]c2c(c1Br)C(CCNC2=O)=NNc1ccccn1 |w:13.15|

BDBM59121

Brc1[nH]c2c(c1Br)C(CCNC2=O)=NNc1ccc(cc1)N(=O)=O |w:13.15|

BDBM59122

NS(=O)(=O)c1ccc(NN=C2CCNC(=O)c3[nH]c(Br)c(Br)c23)cc1 |w:9.8|

BDBM59123

Brc1[nH]c2c(c1Br)C(CCNC2=O)=NNc1ncccn1 |w:13.15|

BDBM59124

Brc1[nH]c2c(c1Br)C(CCNC2=O)=NNc1cccnc1 |w:13.15|

BDBM59125

Brc1[nH]c2c(c1Br)C(CCNC2=O)=NNc1ccncc1 |w:13.15|

BDBM59126

Clc1ccc2c(NN=C3CCNC(=O)c4[nH]c(Br)c(Br)c34)ccnc2c1 |w:7.6|

BDBM59127

O=C1NCCC(=NNc2ccccn2)c2cc([nH]c12)-c1ccccc1 |w:6.6|

BDBM59128

Clc1[nH]c2c(c1Cl)C(CCNC2=O)=NNc1ccccn1 |w:13.15|

BDBM59129

O=C1NCCC(=NNc2ccccn2)c2c1[nH]c1ccccc21 |w:6.6|

BDBM59130

Fc1ccc2[nH]c3c(C(CCNC3=O)=NNc3ccccn3)c2c1 |w:14.15|

BDBM59131

Clc1ccc2[nH]c3c(C(CCNC3=O)=NNc3ccccn3)c2c1 |w:14.15|

BDBM59132

Brc1ccc2[nH]c3c(C(CCNC3=O)=NNc3ccccn3)c2c1 |w:14.15|

BDBM59133

Nc1cccc2c3c([nH]c12)C(=O)NCCC3=NNc1ccccn1 |w:16.19|

BDBM59134

Clc1ccc(NN=C2CCNC(=O)c3[nH]c4ccc(Cl)cc4c23)nc1 |w:6.5|

BDBM59135

FC(F)(F)c1ccc(NN=C2CCNC(=O)c3[nH]c4ccc(Cl)cc4c23)nc1 |w:9.8|

BDBM59136

Clc1ccc2[nH]c3c(C(CCNC3=O)=NNc3ccc(cn3)N(=O)=O)c2c1 |w:14.15|

BDBM59137

Clc1ccc2[nH]c3c(C(CCNC3=O)=NNc3cccnc3)c2c1 |w:14.15|

BDBM59138

COc1ccc(NN=C2CCNC(=O)c3[nH]c4ccc(Cl)cc4c23)cn1 |w:7.6|

BDBM59139

Clc1ccc2[nH]c3c(C(CCNC3=O)=NNc3cccnc3Cl)c2c1 |w:14.15|

BDBM59140

Clc1ccc2[nH]c3c(C(CCNC3=O)=NNc3ccc(Cl)nc3)c2c1 |w:14.15|

BDBM59141

Clc1ccc2[nH]c3c(C(CCNC3=O)=NNc3ccncc3)c2c1 |w:14.15|

BDBM59142

NS(=O)(=O)c1ccc(NN=C2CCNC(=O)c3[nH]c4ccc(Cl)cc4c23)cc1 |w:9.8|

BDBM59143

NS(=O)(=O)c1ccc(NN=C2CCNC(=O)c3[nH]c4ccc(Cl)cc4c23)nc1 |w:9.8|

BDBM59144

Fc1ccc2[nH]c3c(C(CCNC3=O)=NNc3ccc(Cl)cn3)c2c1 |w:14.15|

BDBM59145

Fc1ccc2[nH]c3c(C(CCNC3=O)=NNc3ccc(cn3)C(F)(F)F)c2c1 |w:14.15|

BDBM59146

Fc1ccc2[nH]c3c(C(CCNC3=O)=NNc3cccnc3)c2c1 |w:14.15|

BDBM59147

COc1ccc(NN=C2CCNC(=O)c3[nH]c4ccc(F)cc4c23)cn1 |w:7.6|

BDBM59148

Fc1ccc2[nH]c3c(C(CCNC3=O)=NNc3cccnc3Cl)c2c1 |w:14.15|

BDBM59149

NS(=O)(=O)c1ccc(NN=C2CCNC(=O)c3[nH]c4ccc(F)cc4c23)cc1 |w:9.8|

BDBM59150

NS(=O)(=O)c1ccc(NN=C2CCNC(=O)c3[nH]c4ccc(F)cc4c23)nc1 |w:9.8|

BDBM59227

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

BDBM68339

CCOC(=O)CCNCC1COc2ccccc2O1

BDBM68340

Fc1ccc(CSc2nnc(o2)-c2cccs2)cc1

BDBM68341

COCCN(CC(=O)NCc1ccc(OC)cc1)C(=O)CCC(=O)Nc1nccs1

BDBM68342

CC1(C)CC(=O)C=C(C1)Nc1ccccn1 |c:6|

BDBM68343

COc1ccccc1N1CCN(CC1)C(=O)Cn1nnc(n1)-c1ccncc1

BDBM68344

O=C(CSc1nnc(o1)-c1ccncc1)Oc1ccccc1

BDBM68345

COc1cc(ccc1O)C1C2C(=O)CC(C)(C)CC2=NC(C)=C1C(=O)N1CCCCC1 |c:20,23|

BDBM39325

COc1ccc2nc(NC(=O)CSc3nc4cccnc4n3C)sc2c1

BDBM68346

Oc1ccc2occ(C(=O)c3cccs3)c2c1CN1CCOCC1

BDBM68347

CCSc1nnc(o1)-c1cccs1

BDBM68348

Fc1ccc(NC(=O)CCSc2nnc(o2)-c2ccncc2)cc1

BDBM68349

COc1cc(ccc1O)C(N1CCN(CC1)c1nc2ccccc2s1)c1nnnn1C(C)(C)C

BDBM68350

NC(=O)c1c(NC(=O)CN2CCCC2)sc2CCCCc12

BDBM68351

CC(OC(=O)c1nsc(Cl)c1Cl)C(=O)NCc1ccco1

BDBM68352

COc1ccc2occ(C(=O)c3coc4ccc(O)c(CN(C)C)c34)c2c1

BDBM68353

O=S(=O)(Nc1cccnc1)c1ccc(cc1)C1CCCCC1

BDBM68354

COc1cccc(c1)C(=O)Nc1nnc(s1)C(C)C

BDBM68355

OC(=O)CNCC1COc2ccccc2O1

BDBM68356

Cn1c2nc(Br)n(Cc3ccccc3Cl)c2c(=O)[nH]c1=O

BDBM68357

CC1(C)CC(=O)C=C(C1)Nc1ccc(F)cc1 |c:6|

BDBM68358

CCc1cc2c(NC(=O)CN=C2c2cccs2)s1 |c:10|

BDBM68359

CCn1c(SCC(=O)Nc2ccc(NC(C)=O)cc2)nnc1C1CC1

BDBM68360

CC(=O)c1coc2ccc(OCC(O)=O)cc12

BDBM68361

O=C(Nc1ccncc1)Nc1ccccn1

BDBM68362

COCCN(CC(=O)NCc1ccccc1)C(=O)CCC(=O)Nc1ccccn1

BDBM68363

CN(Cc1nc2n(C)c(=O)n(C)c(=O)c2[nH]1)Cc1ccccc1

BDBM68364

CCOC(=O)c1nnn(c1CN1CCc2ccccc2C1)-c1nonc1N

BDBM68365

COc1ccc(NC(=O)c2sc(SC)nc2N)cc1

BDBM68366

COc1ccc(CN(CC(=O)NCc2ccco2)C(=O)CCC(=O)Nc2ccccn2)cc1

BDBM38798

Oc1ccc(cc1)C(=O)OCCCN1CCCCC1

BDBM68367

O=C1CN=C(c2cccs2)c2c3CCCCc3sc2N1 |t:3|

BDBM68368

CCOc1ccc2nc(NC(=O)CSc3nc4cccnc4n3C)sc2c1

BDBM68369

CCOC(=O)COc1ccc(C(=O)c2ccccc2)c(O)c1

BDBM68370

COc1cccc(CSc2nnc(o2)-c2ccc(F)cc2)c1

BDBM68371

Cc1cc2c(NC(=O)CN=C2c2cccs2)s1 |c:9|

BDBM30687

COc1ccc(OC)c(Nc2oc3cc(=O)ccc3cc2C(N)=O)c1

BDBM68372

Cc1cc(NC(=O)CCC(=O)N(C(C(=O)NC2CCCC2)c2ccccc2F)c2cccnc2)no1

BDBM68373

Cc1ccc(C)c(CSc2nnc(o2)-c2cccnc2)c1

BDBM68374

Cc1cc2cc(CN(CCCN3CCOCC3)C(=O)NC3CCCCC3)c(=O)[nH]c2cc1C

BDBM68375

COc1ccc(cc1OC)-c1csc(n1)N1CCOCC1

BDBM68376

O=C(CSc1nnc(-c2ccco2)n1Cc1ccco1)N1CCOCC1

BDBM68377

CN(C)Cc1c(C)n(C)c2C(=O)c3ccc(Br)cc3-c12

BDBM68378

Cc1sc(NC(=O)CSc2nnc(COc3cccc(C)c3)n2C)c(C#N)c1C

BDBM68379

O=C(C1CCCN(C1)S(=O)(=O)c1ccccc1)N1CCN(CC1)c1ncccn1

BDBM68380

Cc1ccc(cc1)S(=O)(=O)NCC(=O)N(CCc1ccccc1)CC(=O)NCc1ccco1

BDBM68381

C(COc1ccccc1)Cn1nnc(n1)-c1ccncc1

BDBM68382

CC1CCCC(C)N1C(=O)CN1C(=O)C(C)(C)Oc2ccc(cc12)C(=O)NC1CCCC1

BDBM68383

Cc1ccc(cc1)N1CC(CC1=O)C(=O)NCCCn1ccnc1

BDBM68384

C(Sc1nnc(o1)-c1ccc2OCOc2c1)c1ccncc1

BDBM68385

COc1ccc2nc(NC(=O)CSC3=NCCS3)sc2c1 |t:13|

BDBM68386

CC1(C)Oc2ccc(cc2N(CC(=O)N2CCOCC2)C1=O)C(=O)N1CCOCC1

BDBM68387

COCCN(CC(=O)NCc1ccc(F)cc1)C(=O)CCC(=O)Nc1ccccn1

BDBM68388

N#Cc1cccc(c1)-c1nnc(SCc2ccccc2C#N)o1

BDBM68389

O=C1NC(Nc2sc3CCCCc3c12)c1cccs1

BDBM68390

CCOc1cc(ccc1O)C1C2C(=O)CC(C)(C)CC2=NC(C)=C1C(=O)N1CCCCC1 |c:21,24|

BDBM50008369

Nc1nc(Cl)nc2n(cnc12)C1OC(CO)C(O)C1O

BDBM68391

Nc1nc(F)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O

BDBM50134036

Cc1cccc(c1C)Nc2ccccc2C(=O)O

BDBM35905

Cc1c(cccc1Cl)Nc2ccccc2C(=O)O

BDBM14487

Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O

BDBM68392

OC(=O)C1CCC(CC1)NC(=O)OCc1ccccc1 |(3.08,-6.84,;4.41,-6.07,;5.75,-6.84,;4.41,-4.53,;3.08,-3.76,;3.08,-2.22,;4.41,-1.45,;5.75,-2.22,;5.75,-3.76,;4.41,.09,;5.75,.86,;7.08,.09,;5.75,2.4,;7.08,3.17,;7.08,4.71,;8.41,5.48,;8.41,7.02,;7.08,7.79,;5.75,7.02,;5.75,5.48,)|

BDBM68393

COC(=O)c1c(N)c(C#N)c2CCCCCn12

BDBM68394

N#Cc1c2CCN(Cc3ccccc3)Cc2c(nc1N1CCCCC1)N1CCCCC1

BDBM68395

Cn1c2nc3SCCCn3c2c(=O)[nH]c1=O

BDBM60357

CC1(C)Nc2ccc(O)cc2-c2c1ssc2=S

BDBM68396

Cc1nnc2n(-c3ccccc3)c(=O)c3c4CC(C)(C)OCc4sc3n12

BDBM68397

CCOC(=O)COn1c2ccccc2[n+]([O-])c(-c2cccs2)c1=O

BDBM68398

COc1cc(NC2=CC(=O)CC(C)(C)C2)cc(OC)c1OC |t:6|

BDBM68399

CCN1CCc2c(C1)c(nc(N1CCCCC1)c2C#N)N1CCOCC1

BDBM68400

O=c1n(cnc2c3ccccc3[nH]c12)C1CCCCC1

BDBM68401

Cc1nnc2n(-c3ccccc3)c(=O)c3c4CCCCc4sc3n12

BDBM68402

N#CCCSc1nc(N2CCOCC2)c2CCCCc2c1C#N

BDBM68403

Cc1ccsc1C1Nc2sc3CCCCc3c2C(=O)N1

BDBM68404

O=c1cc(NCc2ccccc2)nc2SCCCn12

BDBM68405

CC1CCc2c(C1)sc1c2c(=O)n(-c2ccccc2)c2nnc(C)n12

BDBM36899

CNC(SCC(=O)c1ccc(Cl)cc1Cl)=NC#N |w:15.16|

BDBM35496

Cc1nonc1-c1nnc([nH]1)-c1nonc1N

BDBM52102

CCCCCCN1C(=O)NC(=O)C(=CNCCCn2ccnc2)C1=O |w:13.13|

BDBM68406

COC(=O)c1ccc(cc1)-n1c(O)cc(N2CCN(CC2)C(=O)c2ccco2)c1O

BDBM68407

COCCOC(=O)C(C#N)c1nc2ccccc2nc1N1CCN(Cc2ccccc2)CC1

BDBM53520

CN1CCc2c(C1)sc1NC(NC(=O)c21)c1cccs1

BDBM68408

CC(C)(C)NC(=O)CSC(NC#N)=NCC=C |w:13.13|

BDBM39091

COc1cccc(c1)C(=O)c1sc(NC(C)C)nc1N

BDBM68409

Cc1cc(NC(=O)CSc2nc(ccc2C#N)-c2cccnc2)no1

BDBM68410

COc1cccc(c1)C(=O)CSC(NC#N)=NCC=C |w:16.17|

BDBM68411

CC1CCN(CC1)c1oc(nc1C#N)-c1ccccc1Cl

BDBM68412

CCNc1nc(N)c(s1)C(=O)c1ccc(Cl)s1

BDBM68413

C(c1ccccc1)n1c(nc2nc3ccccc3nc12)-c1ccco1

BDBM62600

CN1CCc2c(C1)sc1c2c(=O)n(-c2ccc(Cl)cc2)c2nncn12

BDBM68414

CC(C)Cn1nc(NC(=O)C(C)(C)C)c2cc3ccccc3nc12

BDBM36919

Clc1ccc(CSc2nnc(o2)-c2ccncc2)cc1

BDBM68415

Nc1nc(cc(-c2cccs2)c1C#N)-c1cccnc1

BDBM68416

Fc1ccc(CN2C(=O)NC(=O)C(=CNCCN3CCCCC3)C2=O)cc1 |w:13.13|

BDBM68417

CCCCn1nc(NC(=O)c2cccs2)c2cc3ccccc3nc12

BDBM36920

Clc1ccc(CSc2nnc(o2)-c2ccncc2)c(Cl)c1

BDBM68418

CCCCC(=O)Nc1nn(CC(C)C)c2nc3ccccc3cc12

BDBM36921

COc1cccc(c1)-c1nnc2sc(nn12)C1CCCCC1

BDBM68419

CCCn1nc(NC(=O)CC(C)C)c2cc3ccccc3nc12

BDBM68420

Cn1c2nc(CN(Cc3ccccc3)Cc3ccccc3)[nH]c2c(=O)n(C)c1=O

BDBM68421

CCCCc1cc(=O)oc2cc(C)cc(OCC(O)=O)c12

BDBM68422

CCCCc1cc(=O)oc2cc(C)cc(OC(C)C(O)=O)c12

BDBM68423

CCOc1cc(ccc1O)C1N(C(=O)c2n[nH]c(C)c12)c1ccc(Br)cc1

BDBM48541

CCOc1cc(ccc1O)C1N(C(=O)c2n[nH]c(C)c12)c1ccc(C)cc1

BDBM68424

COc1ccc(Oc2c(C)oc3c(CN(C)C)c(O)ccc3c2=O)cc1

BDBM68425

CCSc1nc(N)c2c3CCN(C)Cc3sc2n1

BDBM68426

CSc1nc(NCc2ccco2)c2c3CCN(C)Cc3sc2n1

BDBM68427

CCC(O)CNc1nc(SC)nc2sc3CN(C)CCc3c12

BDBM32050

O=C1c2ccccc2-c2onc3ccc(NCCCn4ccnc4)c1c23

BDBM68428

COCCCn1c(nc2nc3ccccc3nc12)-c1ccc(OC)cc1

BDBM68429

CN1CCc2c(C1)sc1c2c(=O)n(-c2cccc(Cl)c2)c2nncn12

BDBM68430

CC1CCN(CC1)C(=O)CSc1nc(N)c2c3CCN(C)Cc3sc2n1

BDBM68431

CN1CCc2c(C1)sc1c2c(=O)n(-c2ccccc2)c2nncn12

BDBM68432

C(CNc1ncnc2c3ccccc3oc12)Cn1ccnc1

BDBM68433

Cc1nc(NCCCn2ccnc2)c2oc3ccccc3c2n1

BDBM68434

CSc1nc(SCC(N)=O)c2c3CCN(C)Cc3sc2n1

BDBM68435

COc1ccc2nc3n(CC(C)C)nc(NC(=O)C4CCCO4)c3cc2c1

BDBM53678

CCCCc1cc(=O)oc2cc(C)cc(OCc3nnn[nH]3)c12

BDBM46340

COc1ccc2nc3n(CC(C)C)nc(NC(=O)c4cccs4)c3cc2c1

BDBM30782

CCCCn1nc(NC(=O)c2cccs2)c2cc3cc(OC)ccc3nc12

BDBM68436

CCCn1nc(NC(=O)c2cccs2)c2cc3cc(OC)ccc3nc12

BDBM68437

COc1ccc(cc1)C1CC(=O)C2C(c3ccccc3C)n3ncnc3N=C2C1 |c:29|

BDBM68438

Cc1ccnc(SCCn2c(nc3n(C)c(=O)[nH]c(=O)c23)N2CCOCC2)n1

BDBM68439

O=C1CCCC2=Nc3nc(SCc4ccccc4)nn3C(C12)c1cccs1 |t:5|

BDBM68440

COc1cc(cc(OC)c1OC)C(=O)Nc1cccc(-c2nc3ncccc3o2)c1C

BDBM68441

Cc1nc2nc(=O)c3C(C4=C(CC(C)(C)CC4=O)Nc3n2[nH]1)c1ccccc1 |t:9|

BDBM68442

COc1ccc(cc1)N1CCN(CCNC(=O)c2nnc(Cc3c(F)cccc3Cl)o2)CC1

BDBM68443

COc1ccc(cc1)C1C2=C(CC(C)(C)CC2=O)Nc2c1c(=O)nc1nc(C)[nH]n21 |t:10|

BDBM68444

COCCOC(=O)C1C(c2ccccc2)n2ncnc2N=C1C |c:22|

BDBM68445

Cc1nc2nc(=O)c3C(C4=C(CC(C)(C)CC4=O)Nc3n2[nH]1)c1ccc(F)cc1 |t:9|

BDBM68446

Cn1c(SCc2nnc(o2)-c2ccc(F)cc2)nnc1C1COc2ccccc2O1

BDBM38922

Cc1ccc2nc(cn2c1)-c1ccccc1

BDBM68447

Cc1nnc(SCC(=O)N2CCC(CC2)C(=O)Nc2nccs2)n1Cc1ccccc1

BDBM68448

CCOC(=O)C1C(c2ccc(cc2)N(C)C)n2ncnc2N=C1C |c:23|

BDBM68449

Cc1[nH]nc2N=C3CC(C)(C)CC(=O)C3C(c12)c1ccc(C)cc1 |t:5|

BDBM68450

CC1(C)CC(=O)C=C(C1)Nc1ccc(Br)cn1 |c:6|

BDBM68451

Cc1[nH]nc2N=C3CC(C)(C)CC(=O)C3C(c12)c1cccc(O)c1 |t:5|

BDBM39960

CCC1(C)NC(=O)N(CC(=O)Nc2sc3CCCc3c2C(N)=O)C1=O

BDBM68452

NC1=N\C(=N/c2ccccc2)c2ccccc12 |t:1|

BDBM67745

CC1CCCCN1c1ncnc2sc(C)c(C)c12

BDBM68453

Fc1ccc(cc1)-n1c(SCC(=O)NC(=O)NCc2ccco2)nnc1-c1ccncc1

BDBM68454

CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)CNC(=O)c1ccc(OCC)cc1

BDBM68455

CC(=O)Nc1cccc2C(=O)NC(=O)c12

BDBM68456

CCn1c(SCc2ccccc2)nnc1-c1cccs1

BDBM68457

COCCn1c(SCC(=O)Nc2nc(C)c(Cl)cc2Cl)nc2ccccc12

BDBM68458

Cc1cn(C2OC(COC(=O)c3ccccc3)C(O)C2O)c(=O)[nH]c1=O

BDBM68459

Cc1c(NC(=O)CSc2nnc3sc4ccccc4n23)c(=O)n(-c2ccccc2)n1C

BDBM68460

CC(C)(C)C(=O)COC(=O)c1ccc(O)cc1

BDBM68461

Nn1c(nc2sc3CCCCc3c2c1=O)-c1cccs1

BDBM39382

CN(C)Cc1c(O)ccc2c1oc(C)c(-c1ccc3ccccc3n1)c2=O

BDBM68462

CCOC(=O)c1c(C)[nH]c(C)c1C(=O)CN1C(=O)NC(CC(C)C)C1=O

BDBM30809

CCOC(=O)c1sc2N=C3CCCC(=O)C3C(c3cccs3)c2c1C |t:8|

BDBM32069

C[C@H]1CCCC(=O)CCCC=Cc2cc(O)cc(O)c2C(=O)O1

BDBM68463

COCCn1c(SCC(=O)NC(=O)NCc2ccccc2)nc2ccccc12

BDBM68464

Cc1nc(NCCCn2ccnc2)c2ccccc2n1

BDBM68465

COc1ccc(cc1OC)-c1nn(cc1C=Nn1cnnc1)-c1ccccc1

BDBM68466

Brc1ccc(NC(=O)CN2C(=O)CCC2=O)cc1

BDBM68467

Cc1nn(c2N=C3CCCC(=O)C3C(c3ccsc3)c12)-c1ccccn1 |t:5|

BDBM68468

COc1ccc(cc1)C1C2C(=O)CC(C)(C)CC2=Nc2n[nH]c(C)c12 |c:19|

BDBM68469

Cc1csc(SCC(=O)Nc2ccc(Cl)cn2)n1

BDBM68470

COc1cccc(NC2=CC(=O)CC(C)(C)C2)c1 |t:8|

BDBM68471

COc1cc(ccc1O)C1C(C#N)C(C)=NC2=C1C(=O)CC(C)(C)C2 |c:15,17|

BDBM68472

O=C(CN1C(=O)CCC1=O)Nc1ccc2CCc3cccc1c23

BDBM68473

Cc1nn(cc1CN=O)-c1ccccc1

BDBM49037

Nc1nc(nc(-c2ccccc2)c1C#N)-c1ccccc1

BDBM40626

COCCn1c(SCC(=O)Nc2ncc(Cl)c(C)c2Cl)nc2ccccc12

BDBM48132

Cc1cc(C)c(C)c(c1C)S(=O)(=O)Nc1ccccc1C(=O)NCCCn1ccnc1

BDBM68474

CN(C)Cc1c(O)ccc2c1oc(C)c(-c1cscn1)c2=O

BDBM68475

CC1CCCCN1c1ncnc2sc(C)cc12

BDBM42692

COC(=O)c1sc(Nc2ccccc2)nc1C

BDBM38084

CN(C)c1ccc(cc1)-c1nc2ccccc2n1C

BDBM37897

COC(=O)c1nnn(-c2nonc2N)c1-c1cccs1

BDBM68476

Fc1ccc(cc1)-c1nnc2ccc(SCC(=O)NCc3ccco3)nn12

BDBM41389

O=C(N1CCOCC1)c1noc-2c1CCc1ccccc-21

BDBM68477

CC(C)OC(=O)c1nnn(c1CSc1ccccn1)-c1nonc1N

BDBM68478

CCCCOC(=O)C1C(c2cccc(OC)c2OC)n2ncnc2N=C1C |c:26|

BDBM68479

CC1CN(CC(C)O1)C(c1sc2nc(C)nn2c1O)c1cccc(F)c1

BDBM37898

CCOC(=O)c1nnn(-c2nonc2N)c1-c1cccs1

BDBM44644

COC(=O)c1cn(NC(=O)c2cccnc2)c(=O)c2ccccc12

BDBM68480

CCN(CC)Cc1c(nnn1-c1nonc1N)C(=O)OC

BDBM68481

Oc1c(Br)cc2oc3c(CCCNC3=O)c2c1Br

BDBM32334

Oc1ccc2oc3c(CCCNC3=O)c2c1

BDBM68482

Cc1c([nH]c2CCCC(=O)c12)C(=O)OCCOc1ccccc1

BDBM68483

CNC(=O)c1ccccc1NC(=O)c1cccc(c1)S(=O)(=O)N1CCC(C)CC1

BDBM48565

CCSc1ccc2nnc(-c3cccc(F)c3)n2n1

BDBM68484

CCOC(=O)C1C(c2ccccc2F)n2ncnc2N=C1C |c:21|

BDBM68485

CC1CCCCN1c1nnc(N)s1

BDBM68486

CC1(C)CC(=O)C=C(C1)Nc1ccccc1O |c:6|

BDBM68487

CCOC(=O)c1nnn(-c2nonc2N)c1-c1ccc(OCC)cc1

BDBM34362

CCOC(=O)c1sc(=S)n(c1N)-c1ccccc1OC |(8.41,6.15,;9.04,4.74,;8.13,3.49,;8.76,2.09,;10.29,1.93,;7.85,.84,;6.31,.84,;5.84,-.62,;4.37,-1.1,;7.08,-1.53,;8.33,-.62,;9.79,-1.1,;7.08,-3.07,;8.41,-3.84,;8.41,-5.38,;7.08,-6.15,;5.75,-5.38,;5.75,-3.84,;4.41,-3.07,;3.08,-3.84,)|

BDBM68488

CCOC(=O)C1C(c2cc(Br)ccc2F)n2ncnc2N=C1C |c:22|

BDBM68489

CCOC(=O)N1CCN(CC1)S(=O)(=O)c1cc(Br)cc2CCN(C(=O)C3CC3)c12

BDBM68490

Cc1ccccc1CSc1nc2N=C3CCCC(=O)C3C(c3cccs3)n2n1 |t:13|

BDBM68491

CCSc1ccc2nnc(-c3ccc(F)cc3)n2n1

BDBM68492

CCC(=O)n1nc(nc1N)-c1ccc(OC)cc1

BDBM68493

OC(=O)c1ccccc1NCc1ccncc1

BDBM68494

COc1ccc(cc1OC)-c1nnc2ccc(SCC(N)=O)nn12

BDBM37050

Cc1ccccc1-c1nnc(SCc2ccccc2F)o1

BDBM68495

CCOC(=O)C(CC)Sc1ncnc2nc[nH]c12

BDBM44648

COC(=O)C(CC(C)C)NC(=O)CSc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1

BDBM68496

CC1=Nc2ncnn2C(C1C(=O)OCc1ccccc1)c1cccnc1 |t:1|

BDBM68497

COc1cc(ccc1O)C1C2C(=O)CC(C)(C)CC2=Nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 |c:20|

BDBM68498

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

BDBM68499

O=C(NCCCN1CCCCC1)c1ccc2SC(N3CCCCC3)C(=O)Nc2c1

BDBM68500

CCOC(=O)c1cnc2ccc(OCC)cc2c1N1CCN(C)CC1

BDBM34371

Cc1ccc(cc1)C1C2C(=O)CC(C)(C)CC2=Nc2[nH]c(=S)[nH]c(=O)c12 |c:18|

BDBM68501

CCOC(=O)CC(=O)CSc1ccc2nnc(-c3ccccc3)n2n1

BDBM68502

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

BDBM68503

COCc1c(nnn1-c1nonc1N)C(N)=O

BDBM68504

CCCn1cc(SCC(=O)NCc2ccco2)c2ccccc12

BDBM68505

CCOC(=O)N1CCC(CC1)NC(=O)c1cc2sccc2n1CC

BDBM68506

Cc1[nH]nc2N=C3CC(C)(C)CC(=O)C3C(c12)c1ccccc1 |t:5|

BDBM68507

CCOC(=O)CC(=O)CSc1ccc2nnc(-c3ccc(F)cc3)n2n1

BDBM68508

CCCCOC(=O)C1C(c2cc(OC)c(OC)cc2OC)n2ncnc2N=C1C |c:28|

BDBM68509

Cc1nn(Cc2ccc(Cl)c(Cl)c2)c(C)c1NC(=O)c1noc2CCCCCc12

BDBM68510

Cc1ccccc1-n1nnc2c1c1ccccc1oc2=O

BDBM68511

CCOc1ccc(cc1)-c1nnc2ccc(SC)nn12

BDBM68512

COC(=O)CSc1ccc2nnc(-c3ccc(F)cc3)n2n1

BDBM68513

CCN(CC)Cc1c(nnn1-c1nonc1N)C(=O)OC(C)C

BDBM68514

CCN1CCN(CC1)C(=O)c1cc2cc3cc(OC)ccc3nc2s1

BDBM68515

O=C1NC(Nc2sc3CCCCc3c12)c1ccncc1

BDBM38420

CCOC(=O)CC(=O)CSc1ccc2nnc(-c3ccc(C)cc3)n2n1

BDBM68516

Cc1cc(NC(=O)CSc2ccc3nnc(-c4ccc(F)cc4)n3n2)no1

BDBM68517

Cc1ccccc1NC(=O)CSc1nc(N)c(C#N)c(-c2cccs2)c1C#N

BDBM62695

CC1CCCN(C1)S(=O)(=O)c1ccc(Br)s1

BDBM38980

C1COc2cc3sc(nc3cc2O1)N1CCOCC1

BDBM68518

CCC(Sc1ccc2nnc(-c3ccc(F)cc3)n2n1)C(=O)OC

BDBM41653

O=C(Nc1cccs1)Nc1ccccn1

BDBM68519

CCOC(=O)c1nnn(CC(=O)Nc2cccc(OC)c2)c1C(=O)OCC

BDBM68520

CC(C)C(=O)NC(C)C(N1CCN(CC1)c1ccccc1)c1cccs1

BDBM68521

Cc1ccc(cc1C)-n1c(C)nc2n(ncc2c1=O)-c1ccc(F)cc1

BDBM39246

CCOC(=O)c1nnn(-c2nonc2N)c1-c1ccc(OC)cc1

BDBM48576

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

BDBM68522

CCOC(=O)c1cnc2c(OC)cccc2c1N1CCN(CC1)c1ccc(OC)cc1

BDBM68523

COc1ccc(cc1OC)-c1c(N)nnc2c3ccccc3[nH]c12

BDBM68524

COc1cc2[nH]c(=O)n3nc(nc3c2cc1OC)-c1ccccc1

BDBM68525

CCOC(=O)CC(=O)CSc1ccc2nnc(-c3cccc(F)c3)n2n1

BDBM32102

Cn1ncnc2c1nc(=O)n(C)c2=O

BDBM68526

OC(=O)c1cccnc1-c1ncccc1C(O)=O

BDBM49062

Cc1[nH]nc2N=C3CC(C)(C)CC(=O)C3C(c12)c1ccc(F)cc1 |t:5|

BDBM39252

Cc1c(nnn1-c1nonc1N)C(=O)OCc1ccccc1

BDBM68527

O=C(NC1CCCCCC1)C1CCCN(C1)S(=O)(=O)c1cccs1

BDBM68528

CCOC(=O)c1nnn(c1CSc1ccc(C)cc1)-c1nonc1N

BDBM48391

CSc1nc2N=C3CCCC(=O)C3C(c3cccs3)c2c(=O)[nH]1 |t:5|

BDBM68529

COc1cccc(C(CC(=O)NCc2ccco2)NS(=O)(=O)c2ccc(C)cc2)c1OC

BDBM68530

COC(=O)c1nnn(c1CN1CCc2ccccc12)-c1nonc1N

BDBM6659

O=C(Nc1ccccc1)Nc1ccccn1

BDBM68531

CS(=O)(=O)N(CCc1ccccc1)CC(=O)N1CCN(CC1)c1ccccc1F

BDBM68532

CS(=O)(=O)c1nncn1-c1ccccc1

BDBM68533

CNC(=O)c1cc2cccc(OC)c2oc1=O

BDBM68534

CC1=NC(=O)NC(C1C(=O)OCC1CCCO1)c1ccc(O)cc1 |t:1|

BDBM68535

CN(CC(=O)N1CCCc2ccccc12)S(=O)(=O)c1ccc(C)cc1

BDBM68536

COc1ccc(cc1)C(O)c1coc2ccc(O)c(CN(C)C)c12

BDBM68537

COCCNC(=O)c1ccc(Cl)c(Cl)c1

BDBM50829

COc1ccc2nc(C)cc(N3CCOCC3)c2c1

BDBM68538

CCn1c(SCc2c(F)cccc2Cl)nnc1-c1ccco1

BDBM68539

CS(=O)(=O)c1ccc2nc(NC(=O)CN3CCN(Cc4ccccc4)CC3)sc2c1

BDBM68540

CCCc1cc(=O)oc2cc(C)c(CN3CCCC3)c(O)c12

BDBM42772

O=C(Nc1cccc2C(=O)NC(=O)c12)C1CCCO1

BDBM66275

CN(c1ccccc1C(=O)Nc1cccc(c1)C(F)(F)F)S(C)(=O)=O

BDBM68541

Fc1ccccc1CSc1nnc(o1)-c1ccccc1

BDBM68542

CC(C)N1CC(CC1=O)C(=O)Nc1ccc(Br)c(Cl)c1

BDBM68543

O=C(CCC1COc2ccccc2O1)NCC1COc2ccccc2O1

BDBM68544

CCOc1cccc(c1)C(=O)Nc1cccc(-c2nc3ncccc3o2)c1C

BDBM68545

Brc1cnn(Cc2ccc(o2)C(=O)NCc2ccccn2)c1

BDBM68546

CN(C)Cc1c(O)ccc2occ(C(=O)c3ccccc3)c12

BDBM68547

CCOC(=O)C1C(c2ccc3OCOc3c2)n2ncnc2N=C1C |c:24|

BDBM68548

O=C(NCC1COc2ccccc2O1)c1ccccc1

BDBM68549

COC(=O)c1nnn(c1CSc1nc2ccccc2s1)-c1nonc1N

BDBM42784

CN1CCN(CC1)c1ccccc1NC(=O)c1ccc(Br)o1

BDBM68550

CSc1nc(C)cc(n1)-n1ccc(=O)[nH]c1=O

BDBM68551

Cc1ccc(cc1S(=O)(=O)N1CCCCC1)C(=O)Nc1ccccc1C(=O)NCc1ccco1

BDBM68552

Cc1occc1C(=O)N1CCN(CC1)C(=O)C1CCCO1

BDBM68553

[H]C12OC([H])(C=C1)C(C2C(O)=O)C(=O)NCc1ccc(Cl)cc1 |c:5,TLB:9:8:2:5.6,THB:12:7:2:5.6|

BDBM39269

COC(=O)c1nnn(c1CSCCO)-c1nonc1N

BDBM35422

CC(C)(C)C(=O)c1sc(Nc2ccccc2)nc1N

BDBM68554

CCSc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1

BDBM68555

COC(=O)c1nnn(c1CSc1ccccn1)-c1nonc1N

BDBM37122

Cc1ccc(cc1)-c1nnc(SCc2ccccc2F)o1

BDBM68556

COc1cccc2cc(C(C)=O)c(=O)oc12

BDBM68557

CC(=O)c1ccc(Cc2cnc(N)s2)cc1

BDBM68558

O=C(Nc1ccccc1C(=O)N1CCOCC1)C1CCCO1

BDBM51573

Oc1ccc2c3CCCCc3c(=O)oc2c1

BDBM68559

O=C1CC(N2CCC(CC2)c2nc3ccccc3s2)C(=O)N1

BDBM68560

COc1ccc(C(=O)NCC=C)c(OC)c1

BDBM51574

CCc1cc(=O)oc2cc(OC(C)=O)cc(OC(C)=O)c12

BDBM51575

CCc1c(C)c2ccc(O)c(CN(C)C)c2oc1=O

BDBM45399

Cc1nnc(NC(=O)c2oc3cc(C)ccc3c2C)s1

BDBM50265521

OC(=O)COc1ccc2occ(C(=O)c3ccccc3)c2c1

BDBM68561

OC(=O)C(CC(=O)c1ccccc1)c1cn(CCC#N)c2ccccc12

BDBM68562

CCOC(=O)C1C(c2c[nH]c3ccccc23)n2ncnc2N=C1C |c:24|

BDBM68563

COc1cccc2cc(C(=O)N(C)C)c(=O)oc12

BDBM68564

CCOC(=O)C1C(\C=C\c2ccccc2)n2ncnc2N=C1C |c:22|

BDBM68565

CC1CCCCN1c1ncnc2sc(C(O)=O)c(C)c12

BDBM68566

COC(=O)c1ccc(CSc2nnc(o2)-c2ccncc2)o1

BDBM68567

CC(C)CNC(=O)c1cccc(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)c1

BDBM68568

CNc1nc(N)c(s1)C(=O)C(C)(C)C

BDBM68569

O=C(N1CCN(CC1)C(=O)c1ccncc1)c1ccco1

BDBM68570

Clc1cc(ccc1OCC(=O)Nc1ccc2OCOc2c1)S(=O)(=O)N1CCCC1

BDBM68571

COc1ccc(OCCN(C)Cc2ccccc2)cc1

BDBM68572

[H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C(=O)N1CCN(CC1)c1ccccc1F |TLB:8:1:12:6.9.5,8:6:12:1.11.2,THB:2:1:9:3.12.5|

BDBM68573

CCOC(=O)CSc1nnc(-c2cccs2)n1-c1ccccc1

BDBM68574

O=C(NCCCn1ccnc1)c1ccco1

BDBM43247

Cc1cc(NC(=O)CSc2nc(-c3ccccc3)c(C#N)c(=O)[nH]2)no1

BDBM68575

CCCCc1cc(=O)oc2cc(C)c(CN3CCCC3)c(O)c12

BDBM68576

CCNc1nc(N)nc(Oc2ccc(OCCOc3ccc(Cl)cc3Cl)nn2)n1

BDBM68577

CC(O)c1cccc(NC2=CC(=O)CC(C)(C)C2)c1 |t:9|

BDBM68578

CCOC(=O)C1C(NC(=O)NC1=CN1CCSCC1)c1cc(C)ccc1C |w:12.13|

BDBM42822

CCCCC(=O)Nc1ncc(Br)s1

BDBM47709

O=C1CCCC2=Nc3ncnn3C(C12)c1cccs1 |t:5|

BDBM68579

O=C(Nc1sccc1C(=O)N1CCOCC1)c1cccnc1

BDBM51582

CCCCc1cc(=O)oc2c(CN(C)C)c(O)ccc12

BDBM68580

COc1cc(ccc1F)S(=O)(=O)Nc1ccc(Cl)cn1

BDBM68581

C(Nc1nc(nc2ccccc12)-c1cccnc1)c1ccco1

BDBM68582

Cc1ccc(cc1)C(=O)c1coc2ccc(OCC(O)=O)cc12

BDBM68583

Cc1ccccc1-c1nnc(SCc2ccc(F)cc2)o1

BDBM48409

O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)Nc1ccc2OCOc2c1

BDBM50228147

CC1CN(CC(C)O1)C(=O)CSc1ccc(C)cc1 |w:1.0,5.5|

BDBM42829

CCOC(=O)c1cnc2ccc(Cl)cc2c1N1CCN(C)CC1

BDBM68584

Cc1onc(c1C(=O)n1cccn1)-c1ccccc1

BDBM38835

O=C(COc1ccccc1)N1CCN(CC1)S(=O)(=O)c1cccs1

BDBM68585

COC(=O)c1nnn(c1CSc1ccc(Cl)cc1)-c1nonc1N

BDBM68586

COc1ccc(cc1)C(=O)c1coc2ccc(O)c(CN3CCCC3)c12

BDBM68587

CCN1CCN(CC1)C(=O)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)c1ccccc1S2=O

BDBM68588

CCOC(=O)c1ccc(cc1)\N=c1/sc(cc(=O)n1Cc1ccco1)C(=O)OC

BDBM62789

[H]C12OC3(CN(C(C)c4ccc(OC)cc4)C(=O)C3C1C(O)=O)C=C2 |c:26|

BDBM68589

COc1ccc(cc1)C1CC(=O)N2CN(CSC2=C1C#N)c1ccc(C)c(Cl)c1 |c:19|

BDBM68590

COc1cccc(C2C(C(=O)OCc3ccccc3)C(C)=Nc3ncnn23)c1OC |c:21|

BDBM68591

COc1ccc(cc1)C(=O)c1coc2ccc(O)c(CN3CCOCC3)c12

BDBM68592

CCc1ccc(cc1)C1CC(Nc2nc(N)nn12)c1ccc(C)cc1

BDBM68593

COc1ccc(CCNC(=O)CN2CCOc3ccccc23)cc1OC

BDBM37466

Cc1[nH]c2ccccc2c1Cc1nnc(SCC(N)=O)o1

BDBM38187

CCn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1C1CC1

BDBM68594

CC(C)c1ccc(cc1)N(CC(=O)Nc1nccs1)S(=O)(=O)c1c(C)nn(C)c1C

BDBM56219

COc1ccc(cc1)C(=O)c1coc2ccc(O)c(CN3CCCCC3)c12

BDBM68595

CC1=Nc2ncnn2C(C1C(=O)OCc1ccccc1)c1ccco1 |t:1|

BDBM68596

COc1cccc(c1)C1CC(c2ccc(Cl)cc2)n2nc(N)nc2N1

BDBM68597

COc1ccc(cc1)C(=O)c1coc2ccc(O)c(CN(C)C)c12

BDBM68598

CCCc1cc(no1)C(=O)Nc1cc(Br)ccc1O

BDBM30953

O=C(Cn1cc2CCCCCc2n1)NC1CCN(Cc2ccccc2)CC1

BDBM68599

COc1ccc(Nc2oc(COc3ccccc3F)nc2C#N)cc1

BDBM68600

O=C(Nc1nccs1)C1CCCN1S(=O)(=O)c1cccc2cccnc12

BDBM68601

CC(C)OC(=O)C1C(c2c[nH]c3ccccc23)n2ncnc2N=C1C |c:25|

BDBM68602

CCOC(=O)c1[nH]c(C)c(C(=O)NCc2ccc(OC)cc2)c1C

BDBM47134

O=C1CC(c2cccs2)C(C#N)=C2SCN(Cc3ccccc3)CN12 |t:12|

BDBM42836

CCc1cc(=O)oc2cc(C)cc(O)c12

BDBM41417

Cc1cc(NC(=O)c2noc-3c2CCc2ccccc-32)n(n1)-c1ccccc1

BDBM68603

CCN1CCN(CCCNC(=O)c2ccc3Sc4ccccc4C(=O)Nc3c2)CC1

BDBM68604

COCCCNC(=O)c1ccc(CS(=O)(=O)c2ccc(OC)cc2)o1

BDBM62811

Cc1ccc(cc1)-c1oc2ccccc2c(=O)c1O

BDBM68605

CCn1c2ccccc2c(OCC(=O)N(C)c2ccccc2F)cc1=O

BDBM68606

Cc1oc(nc1CN1CCC(CC1)C(=O)N1CCN(CC1)c1ccccn1)-c1ccccc1C

BDBM68607

COc1ccc(cc1)-n1c(Cc2cccn2C)nnc1SCC(=O)NCC1CCCO1

BDBM68608

COc1ccc(cc1)N1C(N2CCCC2C1=O)c1ccccc1F

BDBM68609

Cc1ncsc1CCSc1nc2ccccc2c(=O)n1C

BDBM50309914

NC(=O)c1cccc2CN(C3CCCCC3)C(=O)c12

BDBM68610

CCOc1ccc2nc(sc2c1)N1CCC(CC1)C(=O)N1CCN(CC1)C1CCCCC1

BDBM68611

COc1ccc(cc1)-c1nn(cc1C(O)=O)-c1ccccc1

BDBM41184

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

BDBM68612

CCOC(=O)CSc1ccc2nnc(-c3cccnc3)n2n1

BDBM50052

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

BDBM68613

CCOC(=O)CSc1ccc2nnc(-c3cccs3)n2n1

BDBM68614

NC(=O)c1c(NC(=O)CN2C(=O)CCC2=O)sc2CCCCCc12

BDBM68615

Cc1cc(NC(=O)CSc2ccc3nnc(-c4cccs4)n3n2)no1

BDBM68616

CC(=O)N1CCc2c(C1)sc(NC(=O)CN1C(=O)CCC1=O)c2C(N)=O

BDBM68617

CCOC(=O)CSc1ccc2nnc(-c3ccncc3)n2n1

BDBM37210

COc1ccc(cc1)-c1cn2c(C)c(sc2n1)C(=O)Nc1ccncc1

BDBM68618

CCC(=O)Nc1sc2CN(CCc2c1C(N)=O)C(C)=O

BDBM68619

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

BDBM68620

CCOC(=O)CSc1ccc2nnc(-c3ccccc3)n2n1

BDBM68621

Cc1cc(C)c(NC(=O)c2ccc(cc2)S(=O)(=O)N2CCOCC2)c(C)c1

BDBM68622

COC(=O)CSc1ccc2nnc(-c3ccc(OC)c(OC)c3)n2n1

BDBM68623

O=C(Nc1ncc(Cc2ccccc2)s1)C1CCCO1

BDBM68624

Fc1ccc(cc1)-c1nnc2ccc(SCC(=O)N3CCOCC3)nn12

BDBM68625

O=c1oc(nc2sc3CCCc3c12)-c1cccs1

BDBM68626

OCCNc1nc(nc2ccccc12)-c1cccnc1

BDBM68627

CCCCc1cc(=O)oc2cc(OCC(=O)N(CC)CC)ccc12

BDBM68628

O=NCc1cn(CCC#N)nc1-c1ccc(cc1)-c1ccccc1

BDBM68629

CCOC(=O)c1nnn(c1CN(CC)CC)-c1nonc1N

BDBM68630

CCOC(=O)COC(=O)c1ccc(O)cc1

BDBM68631

COC(=O)COc1ccc2occ(C(C)=O)c2c1

BDBM68632

CCCCCc1cc(O)c2c(C)cc(=O)oc2c1

BDBM68633

CC(=O)Oc1ccc2occ(C(=O)c3cccs3)c2c1

BDBM68634

COC(=O)c1c(C)oc2ccc(OC(=O)c3cccs3)cc12

BDBM68635

Cc1occc1C(=O)N1CCc2ccccc12

BDBM68636

COc1ccc(cc1OC)-c1nn(cc1CO)-c1ccccc1

BDBM68637

N#Cc1c2CCCn2c2c(ncnc12)-c1ccccc1

BDBM68638

C=C1CSc2nc(=O)c3c4CCCCc4sc3n12

BDBM68639

Fc1ccccc1NC(=O)CN1C(=O)c2ccccc2C1=O

BDBM68640

O=c1[nH]cnc2c(C#N)c3CCCCn3c12

BDBM42871

Clc1ccc2[nH]c-3c(CCc4c[nH]nc-34)c2c1

BDBM68641

COCCOC(=O)c1c(C)oc2ccc(OC(=O)c3cccs3)cc12

BDBM68642

CC1=NC(=O)NC(C1C(=O)OCc1ccccc1)c1ccccc1OC(F)F |t:1|

BDBM64979

COc1cc2c(O)c3COC(=O)c3c(-c3ccc4OCOc4c3)c2cc1OC

BDBM68643

CC1(C)CC(=O)C2C(c3ccccc3)c3c(N=C2C1)[nH]c(=S)[nH]c3=O |c:17|

BDBM68644

CC(\N=C(\NS(=O)(=O)c1ccc(C)cc1)c1ccccc1)C(O)=O

BDBM68645

Cc1ccc(NC2=CC(=O)CC(C)(C)C2)cc1C |t:6|

BDBM68646

O=C(Nc1cccnc1)Nc1ccccn1

BDBM68647

CCOC(=O)C1C(c2cc(OC)ccc2OC)n2ncnc2N=C1C |c:24|

BDBM68648

COc1ccc2occ(C(=O)c3ccc(cc3)N=C(C)N(C)C)c2c1 |w:17.17|

BDBM39314

O=c1cc(oc2ccccc12)-c1ccncc1

BDBM68649

Clc1ccc(OC(=O)N2CCCCC2)cc1

BDBM68650

COc1ccc(OC)c(c1)C(=O)c1coc2ccc(OC)cc12

BDBM68651

CC1(C)CC(=O)C=C(C1)Nc1ccc(F)cc1F |c:6|

BDBM68652

CC1(C)CC(=O)C=C(C1)Nc1cc(n[nH]1)-c1ccccc1 |c:6|

BDBM68653

Clc1ccccc1OCC(=O)Nc1ccc2OCCOc2c1

BDBM42875

O=C1Nc2ccccc2C1C=Nc1ccc2OCOc2c1 |w:11.13|

BDBM56283

OC1(CC(=O)c2ccc3ccccc3c2O1)C(F)(F)F

BDBM68654

CC1(C)CC(=O)C=C(C1)Nc1ccccc1F |c:6|

BDBM68655

CCSc1ncnc2c(C#N)c3CCCCCn3c12

BDBM68656

O=c1oc(nc2sc3CCCCCc3c12)-c1cccs1

BDBM68657

CCCCCCNC(=O)C(C1CCCCC1)C(=O)OCC

BDBM68658

CC1(C)CC(=O)C=C(C1)Nc1ccc2OCCOc2c1 |c:6|

BDBM68659

CCN(CC)C(=O)COC(=O)c1ccc(O)cc1

BDBM68660

CCCc1cc(=O)oc2cc(C)c3c(C)coc3c12

BDBM35437

COC(=O)CCC(=O)Oc1ccc(OC(=O)CCC(=O)OC)cc1

BDBM68661

CCOC(=O)c1nnn(c1COc1ccccc1)-c1nonc1N

BDBM68662

Oc1ccc(cc1)C(=O)OCCN1CCCCC1

BDBM56298

CC1=C(C(C2C(=O)CCCC2=N1)c1cccs1)C(=O)N1CCCCC1 |c:11,t:1|

BDBM68663

CCOC(=O)c1c(N)scc1-c1ccc(C)o1

BDBM68664

CC1(C)CC(=O)C=C(C1)Nc1cccc(O)c1 |c:6|

BDBM42881

COc1ccc(COC(=O)C2C(NC(=O)N=C2C)c2ccc(O)c(OC)c2)cc1 |c:15|

BDBM68665

Fc1cccc(NC(=O)Nc2ccccn2)c1

BDBM68666

COC(=O)CSc1nnc(o1)-c1ccncc1

BDBM42882

COc1ccc(OC)c(c1)C(=O)c1coc2ccc(O)cc12

BDBM40997

CN(C)C=NC(=O)C(C#N)C1=Nc2ccccc2CC1 |w:4.4,t:10|

BDBM68667

CCc1nnc(NC(=O)c2cccc(OC)c2)s1

BDBM68668

OC(=O)c1ccccc1NC(=O)c1nnc[nH]1

BDBM50154375

c1nc(nn1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(=O)N

BDBM22104

c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=CNC2=O

BDBM68669

c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)O)C(=O)N

BDBM68670

CCN(CC)C(=O)CSc1nc(N)c(C#N)c(-c2cccs2)c1C#N

BDBM68671

COc1ccccc1-c1cc2ccccc2[nH]1

BDBM68672

c1coc(c1)-c1nc(-c2ccccc2)c2ccccn12

BDBM68673

COCCn1nnnc1C(N1CCc2ccccc12)c1cc2cc(C)ccc2[nH]c1=O

BDBM68674

OCCN(CCO)Cc1c(O)ccc2occ(C(=O)c3cccs3)c12

BDBM68675

CCOC(=O)c1ccc(NC(=O)CSc2nnc(C3CC3)n2CC)cc1

BDBM68676

CCOC(=O)c1sc(NC(=O)CSc2nnc(C(C)C)n2C)nc1C

BDBM68677

Oc1cc(c(O)n1-c1ccccc1)-c1c[nH]c2ccccc12

BDBM68678

CC1CCc2c(C1)sc1nn[nH]c(=O)c21

BDBM50293573

NS(=O)(=O)c1ccc(Nc2nc(cs2)-c2ccc(O)cc2O)cc1

BDBM68679

CCOc1ccc(cc1)N1C(=O)C(Cl)C(=Nc2ccccc2O)C1=O |w:15.16|

BDBM68680

COc1ccc(cc1OC)-c1nn(cc1C(O)=O)-c1ccccc1

BDBM68681

CC1Cc2cc(ccc2N1S(C)(=O)=O)-c1csc(NC(=O)Cc2ccccc2)n1

BDBM68682

CCCc1cc(O)c2c(C)cc(=O)oc2c1

BDBM68683

Oc1ccc2oc3CCCC(=O)c3c2c1

BDBM32689

COCC\N=C1/Sc2nc3c(C)cccc3cc2CN1Cc1ccco1

BDBM68684

Cc1cccc(c1)-c1nnc(SCc2ccccc2)o1

BDBM44837

CCOC(=O)C1C(c2cccnc2)n2ncnc2N=C1C |c:20|

BDBM68685

CCOC(=O)C1C(c2cccs2)n2ncnc2N=C1C |c:19|

BDBM68686

CC(C)CC(=O)Nc1ccccc1-c1nnn(CC(=O)N2CCc3ccccc3C2)n1

BDBM40314

Cn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccc(Cl)cc1

BDBM68687

Cc1cc(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)nc(N)n1

BDBM68688

COc1ccc2NC(C)(C)c3ssc(=S)c3-c2c1

BDBM68689

O=C(NCc1ccccc1)c1ccc2nccnc2c1

BDBM68690

CCOc1cc(C)cc2oc(=O)cc(-c3ccccc3)c12

BDBM68691

Clc1ccccc1Cc1cnc(NC(=O)C2CCCO2)s1

BDBM68692

COC(=O)c1ccc(NC(=O)CCN2CCN(Cc3ccccc3)CC2)cc1

BDBM68693

O=c1oc(nc2sc3CCCCc3c12)-c1cccs1

BDBM68694

NNc1ncnc2n(ncc12)-c1ccccc1

BDBM68695

C(Sc1nnc(o1)-c1cccnc1)c1ccccc1

BDBM68696

CCn1c(SCC(=O)Nc2ccccc2)nnc1C1CCCCC1

BDBM68697

COc1ccc(Nc2nc(N)nc(CSc3nnc(C)s3)n2)cc1

BDBM68698

Clc1ccc(OCc2nnc(SCC(=O)N3c4ccccc4CCc4ccccc34)o2)cc1

BDBM68699

CCN(CC)C(=O)COc1cc(C)cc2oc(=O)cc(-c3ccccc3)c12

BDBM68700

Cn1c2nc(CN3CCN(Cc4ccccc4)CC3)[nH]c2c(=O)n(C)c1=O

BDBM68701

CC1(C)CC(=O)C2C(c3ccc(F)cc3)c3cc4OCOc4cc3N=C2C1 |c:27|

BDBM68702

CC(=O)Nc1ncc2C(=O)CC(Cc2n1)c1ccco1

BDBM68703

ClCC(=O)Oc1ccc2occ(C(=O)c3cccs3)c2c1

BDBM68704

Cc1ccsc1C1C(C(N)=O)C(C)=Nc2nnnn12 |c:13|

BDBM68705

C(NCc1ccccc1)C1COc2ccccc2O1

BDBM68706

CCOc1ccc2N(C)C(C)(C)c3ssc(=S)c3-c2c1

BDBM68707

Cn1c(SCc2nc(no2)-c2ccccc2)nnc1-c1ccco1

BDBM68708

CCN(CC)Cc1c(O)ccc2occ(C(=O)c3ccc(OC)cc3)c12

BDBM68709

O=C1NC(Nc2sc3CCCCc3c12)c1cccnc1

BDBM68710

CC1CN(CC(C)O1)C(=O)c1ccc(CNS(=O)(=O)c2cc(C)ccc2C)cc1

BDBM68711

Cc1nnc(SCC(=O)Nc2ccc(Cl)cn2)[nH]c1=O

BDBM68712

Nc1c(sc(Nc2ccccc2)c1S(=O)(=O)c1ccccc1)C(=O)c1ccccc1

BDBM68713

Oc1cc(oc2cccc(=O)c12)-c1ccccc1Cl

BDBM68714

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

BDBM68715

Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccccc1Cl

BDBM68716

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

BDBM49397

Nc1ccc2oc(cc(O)c2c1=O)-c1ccccc1Cl

BDBM68717

Oc1cc(O)c2c(oc(cc2=O)-c2ccccc2Cl)c1[N+]([O-])=O

BDBM68718

CC(C)CC(CO)N1CCN(CCC1=O)C(=O)c1ccc(Cl)c(Cl)c1

BDBM56860

Oc1c(ccc2oc(cc(=O)c12)-c1ccccc1Cl)[N+]([O-])=O

BDBM68719

COc1ccc(cc1)-c1noc(CSc2nnc(-c3ccccc3)n2C)n1

BDBM68720

Cc1ccc(Sc2ccc([CH-]N=[OH+])cc2[N+]([O-])=O)cc1

BDBM68721

[O-][N+](=O)c1cc([CH-]N=[OH+])ccc1Sc1ccccc1

BDBM68722

CN(C)c1nc(nc(-c2ccc(Cl)cc2)c1C#N)-c1ccccc1

BDBM68723

Clc1cc(Cl)cc(NC(=O)CC2NCCNC2=O)c1

BDBM42205

CSc1nsc(CC=Nc2ccc(Cl)cc2)c1C#N |w:8.8|

BDBM68724

CNc1nc(nc(-c2ccccc2)c1C#N)-c1ccccc1

BDBM62945

CS(=O)(=O)N1CCN(CC1)c1cccc(Cl)n1

BDBM68725

CC(C)OC(=O)c1c(C)oc2ccc(OC(=O)c3cccs3)cc12

BDBM68726

COc1ccc(Nc2nc(N)nc(CSc3nncn3C)n2)cc1

BDBM68727

CCOC(=O)c1nnn(c1CSc1ccccc1)-c1nonc1N

BDBM68728

O=C(CCc1ccccc1)Nc1ccc2OCCOc2c1

BDBM68729

CC(C)(C)c1ccc(OCC(=O)NCCN2CCCC2)cc1

BDBM68730

COc1cccc(c1)C1C2C(=O)CC(C)(C)CC2=Nc2cc3OCOc3cc12 |c:19|

BDBM68731

Brc1ccc(NC(=O)CSCCc2ccccn2)nc1

BDBM68732

COc1ccc(cc1)-c1nn(cc1CO)-c1ccccc1

BDBM68733

CCOC(=O)c1cnc2ccc(OCC)cc2c1N1CCN(CC1)c1ccccc1

BDBM68734

CC(C)(C)C(=O)c1cnc(Nc2ccccc2)s1

BDBM68735

CCc1ccc(NC(=O)C(NS(=O)(=O)c2cccc3nsnc23)c2ccccc2)cc1

BDBM68736

CC(C)Sc1nc2N=C3CC(C)(C)CC(=O)C3C(c3cccs3)c2c(=O)[nH]1 |t:7|

BDBM44889

Cn1nc(c2cc(NC(=O)OCc3ccc(cc3)C(C)(C)C)sc12)C(F)(F)F

BDBM68737

CC(C)OCCCNC(=O)c1ccc(CS(=O)(=O)Cc2ccccc2F)o1

BDBM68738

CCCCc1cc(=O)oc2cc(C)cc(O)c12

BDBM68739

CCCCCOC(=O)C1C(c2cccs2)n2ncnc2N=C1C |c:22|

BDBM55399

CCCc1cc(=O)oc2cc(C)cc(O)c12

BDBM68740

COc1ccccc1C(=O)Oc1ccc(cc1)C(C)(C)C

BDBM68741

S=c1[nH]cnc2c(C#N)c3CCCCCn3c12

BDBM59819

Cc1cc(c(C)s1)-c1n[nH]c2OC(=N)C(C#N)C(c12)c1cccc(O)c1

BDBM68742

Cc1ccc(Cc2cnc(NC(=O)C3CCCO3)s2)cc1

BDBM68743

CCOC(=O)c1sc(Nc2ccccc2)nc1C

BDBM68744

CCCN(CCC)CCCNc1ccc2nnc(-c3ccc(F)cc3)n2n1

BDBM68745

O=C(NCc1cccs1)c1cc(on1)C1CC1

BDBM68746

COc1nc(NCCN2CCOCC2)nc(Nc2ccc(cc2)[N+]([O-])=O)n1

BDBM68747

COc1ccc2occ(C(C)=O)c2c1

BDBM68748

Oc1ccc(NC(=O)c2nnc[nH]2)cc1

BDBM68749

Cc1ccc(cc1)-n1c(N)c(sc1=S)C(=O)NCc1cccnc1

BDBM68750

CC1(C)CC(CC(=O)NC(=S)Nc2ccc(cc2)[N+]([O-])=O)C(=O)O1

BDBM44907

CCCCc1cc(=O)oc2cc(OCC(Cl)=C)ccc12

BDBM68751

COC(=O)CSc1ncnc2c1sc1nc(N3CCOCC3)c3CCCCc3c21

BDBM60444

Cc1ccc(cc1)N1CSC2=C(C#N)C(CC(=O)N2C1)c1cccs1 |c:11|

BDBM68752

Clc1cccc(c1)N1CCN(CC1)C(=O)C(Cc1ccccc1)n1cccc1

BDBM68753

CCOC(=O)c1nnn(-c2nonc2N)c1-c1ccc(C)cc1

BDBM68754

CCOC(=O)c1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(Br)s2)cc1

BDBM68755

COCCCNC(=O)c1cccn2c1nc1cc3ccccc3cc1c2=O

BDBM68756

CCOC(=O)c1nnn(c1-c1ccccc1)-c1nc(OC)nc(n1)N1CCCC1

BDBM68757

COc1ccc(OP(C)(=O)Nc2ccccn2)cc1

BDBM68758

O=C(NCCCN1CCCC1=O)c1ccc2Sc3ccccc3C(=O)Nc2c1

BDBM40214

COC(=O)c1ccc2c(c1)nc(SCC(=O)Nc1ccccc1Cl)n(CC1CCCO1)c2=O

BDBM68759

CC1=Nc2ncnn2C(C1C(=O)OCC=C)c1cccs1 |t:1|

BDBM68760

CN1CCc2[nH]c3ccc(cc3c2C1)C(=O)NN

BDBM68761

Brc1ccc(NC(=O)CCSCCc2ccccn2)nc1

BDBM68762

COc1ccc(cc1)C1=NOC(C1)C(=O)Nc1cccnc1 |t:9|

BDBM68763

Nc1ccc(cc1)C(=O)Nc1ccccc1C(O)=O

BDBM68764

COc1ccc(cc1)C1=[N+](O)C(C)=C(C)N([O-])C1=C |c:9,t:13|

BDBM68765

COc1ccc(OC)c(c1)C(=O)c1coc2ccc(OCC(O)=O)cc12

BDBM68766

COc1ccc(OC)c(c1)C(O)c1coc2ccc(O)c(CN(C)C)c12

BDBM68767

Cc1ccc(cc1)C(=O)c1coc2ccc(O)c(Cl)c12

BDBM68768

Oc1ccc2occ(C(=O)c3cccs3)c2c1

BDBM68769

COC(=O)c1sccc1NC(=O)c1cccc(OC)c1

BDBM68770

COc1ccc(cc1)-c1nn(cc1C#N)-c1ccccc1

BDBM68771

COC(=O)c1ccccc1OCCOc1ccccc1C(=O)OC

BDBM68772

CC(C)Oc1cc(C)cc2oc(=O)cc(-c3ccccc3)c12

BDBM68773

CCN(CCNC(=O)CN(C)S(=O)(=O)c1cccc2nsnc12)c1ccccc1

BDBM68774

CCN(CC)Cc1c(O)ccc2c1occ(-c1ccc3OCCOc3c1)c2=O

BDBM68775

C(Sc1nnc(o1)-c1ccncc1)c1cccc2ccccc12

BDBM68776

Cc1ccc(CNc2nc(N)c(c(Nc3ccc(F)cc3)n2)[N+]([O-])=O)cc1

BDBM68777

Oc1ccc(cc1)-c1nnc(SC2CCOC2=O)o1

BDBM68778

C(CNc1nc(nc2c3ccccc3oc12)-c1ccccc1)Cn1ccnc1

BDBM68779

CCSc1nnc(o1)-c1ccncc1

BDBM68780

Cc1ccc(CNc2nc(N)c(c(Nc3cccc(F)c3)n2)[N+]([O-])=O)cc1

BDBM67851

COc1ccc(cc1)-c1nn(cc1C=Nn1c(O)csc1=S)-c1ccccc1 |w:14.16|

BDBM49456

Oc1ccc2occ(C(=O)c3ccc(Cl)cc3)c2c1

BDBM68781

Cc1ccc(cc1)S(=O)(=O)N1CN(Cc2ccco2)c2nc3ccccc3nc12

BDBM68782

CSc1nc(NCC(C)C)c2c3CCN(C)Cc3sc2n1

BDBM68783

CSc1nc(SCC(=O)NC(c2ccccc2)c2ccccc2)c2c3CCN(C)Cc3sc2n1

BDBM68784

CCCOc1cc(C)nc(n1)-c1ccccc1O

BDBM68785

CC(C)OCCCN1CN(c2nc3ccccc3nc12)S(=O)(=O)c1cccc(Cl)c1

BDBM68786

COc1ccccc1Oc1coc2c(CN(C)C)c(O)ccc2c1=O

BDBM68787

CC(C)Cn1nc(NC(=O)C2CCCO2)c2cc3cc(C)ccc3nc12

BDBM56406

CCc1nc2oc3cc(OC)ccc3c(=O)c2c(=O)n1Cc1ccccc1

BDBM51669

CN(C)Cc1c(O)ccc2c3CCCCCc3c(=O)oc12

BDBM68788

Oc1ccc2oc3CCCCc3c2c1

BDBM68789

CCCn1nc(NC(=O)C2CCCO2)c2cc3cc(C)ccc3nc12

BDBM68790

CC(C)Cn1nc(NC(=O)c2ccccn2)c2cc3cc(C)ccc3nc12

BDBM68791

COc1ccc2occ(C(=O)c3cccs3)c2c1

BDBM68792

CC(C)Cn1nc(NC(=O)C2CCCO2)c2cc3ccc(C)cc3nc12

BDBM68793

CCCn1nc(NC(=O)c2cccs2)c2cc3ccccc3nc12

BDBM68794

Cc1c(O)c(CN2CCCCC2)cc2c1oc(=O)c1ccccc21

BDBM68795

C(Sc1nncn1-c1ccccc1)c1cn2cccnc2n1

BDBM68796

Cn1nnc2sc3CCCCc3c2c1=O

BDBM68797

Cc1cc(C)c(C#N)c(SCC(=O)c2ccc(Cl)cc2Cl)n1

BDBM68798

O=NCc1cn(nc1-c1ccc2OCCOc2c1)-c1ccccc1

BDBM68799

[H]C12CC3([H])CC([H])(C1)CC(CC(=O)OCCc1sc[n+](CC(=O)c4ccc(Br)cc4)c1C)(C2)C3 |TLB:5:3:33:6.9.8,THB:2:3:9:1.33.8,5:6:33:3.34.2|

BDBM68800

Cc1cc(NC(=O)CSc2nnc(C3CC3)n2Cc2ccccc2)no1

BDBM50186332

COc1cccc(c1)C(=O)Nc1nc(C)cs1

BDBM68801

C1Sc2nnc(-c3ccncc3)n2N=C1c1cccs1 |c:15|

BDBM68802

Nc1ncnc(Nc2cccc(c2)C(F)(F)F)n1

BDBM68803

CNC(=O)NC(=O)CSc1nc2ccccc2n1CCOC

BDBM68804

Cc1cc(C(=O)OCCN2C(=O)c3ccccc3C2=O)c2ccccc2n1

BDBM68805

CCc1nnc(NC(=O)c2cc(nn2-c2ccccc2)-c2ccccc2)s1

BDBM50106

CN1CCC2C(C1)c1cc(C)ccc1N2C(=O)Nc1cccc(Cl)c1

BDBM68806

Oc1nc(sc1CC(=O)Nc1cccc(c1)C(F)(F)F)N1CCCCC1

BDBM43021

COC(=O)c1sccc1NC(=O)c1ccc(Br)s1

BDBM68807

COc1ccc(cc1)C1C(C#N)C(C)=NC2=C1C(=O)CC(C)(C)C2 |c:14,16|

BDBM68808

CCCc1cc(=O)[nH]c(SCCOc2ccc(OCC)cc2)n1

BDBM68809

Cc1noc2N=C3CC(C)(C)CC(=O)C3C(c12)c1ccc(C)cc1 |t:5|

BDBM68810

COCCn1c(SCC(=O)NC(=O)NC(C)C)nc2ccccc12

BDBM68811

CN(CC(=O)OCC(=O)Nc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1

BDBM68812

CCNC(=O)NC(=O)CSc1nc2ccccc2n1CCOC

BDBM68813

COCCn1c(SCC(=O)Nc2cccc(c2)S(N)(=O)=O)nc2ccccc12

BDBM68814

COCCn1c(SCC(=O)Nc2ccc(cc2)S(=O)(=O)N(C)C)nc2ccccc12

BDBM68815

COc1ccc(CC(=O)OCC(=O)Nc2ccc(Cl)cn2)cc1

BDBM68816

COCCn1c(SCC(=O)Nc2ccc(Cl)cn2)nc2ccccc12

BDBM48511

CCCNCC1COc2ccccc2O1

BDBM68817

CN(C)c1ccc(cc1)C1C2C(=O)CC(C)(C)CC2=Nc2onc(C)c12 |c:20|

BDBM68818

Cc1ccc(cc1)C(=O)Nc1ccc(cc1)S(=O)(=O)NCc1ccco1

BDBM68819

COCCn1c(SCC(=O)NC(=O)NC(C)(C)C)nc2ccccc12

BDBM68820

CC(Cl)C(=O)Nc1ncc(cc1Cl)C(F)(F)F

BDBM68821

CCOc1ccc2NC(C)(C)c3ssc(=S)c3-c2c1

BDBM68822

COCCn1c(SCC(=O)Nc2ccc(Cl)c(c2)S(=O)(=O)N(C)C)nc2ccccc12

BDBM68823

CSCCC(N1C(=O)c2ccccc2C1=O)C(=O)NCc1cccs1

BDBM68824

Cc1cc(Br)ccc1NC(=O)CN1C(=O)CCC1=O

BDBM68825

Cc1nn(c2N=C3CC(C)(C)CC(=O)C3C(c12)c1ccncc1)-c1ccccn1 |t:5|

BDBM41929

Clc1nc(Nc2ccccc2)sc1C=NNC(=O)COc1ccc(cc1)C#N |w:14.16|

BDBM50117

OC(=O)CCN1C(=S)S\C(=C\c2ccc(o2)-c2nc3ccccc3s2)C1=O

BDBM68826

CCN(CC)S(=O)(=O)c1cnc(Cl)c(Cl)c1

BDBM68827

O=c1n2N=C(CSc2nc2sc3CCCCc3c12)c1cccs1 |c:3|

BDBM48677

OC(=O)c1ccccc1C(=O)Nc1nccs1

BDBM68828

CCNc1nc(N)nc(n1)-c1cc(Cl)ccc1OC

BDBM67587

COc1ccc(cc1)C(=O)ON=C(C)c1ccccc1

BDBM68829

CCCNc1nc(N)nc(n1)-c1cc(Cl)ccc1OC

BDBM68830

CCCN(CCC)c1nc(N)nc(n1)-c1cc(Cl)ccc1OC

BDBM68831

COc1cc(C=NNC(=O)c2sc(N)c(C#N)c2C)ccc1O |w:6.6|

BDBM68832

COc1ccc(cc1)-c1ccc2c(N)c(sc2n1)C(=O)c1cccc(OC)c1

BDBM67588

COc1ccc(cc1)C(=O)ON=C(C)c1cccs1

BDBM68833

O=C(NC(Cc1ccccc1)c1ccc2OCCCOc2c1)c1ccccc1

BDBM33687

Cc1ccnc(NC(=O)c2ccc(o2)[N+]([O-])=O)c1

BDBM68834

CC1CCCCN1c1ncnc2ccccc12

BDBM68835

COCCn1c(SCC(=O)Nc2ccc(cc2)S(N)(=O)=O)nc2ccccc12

BDBM68836

Cc1ccccc1-c1nnc(SCCOc2ccc3c(C)cc(=O)oc3c2)o1

BDBM68837

[O-][N+](=O)c1ccccc1OCC(=O)NN=C\C=C\c1ccco1

BDBM68838

Cc1ccnc(NC(=O)c2ccccc2[N+]([O-])=O)c1

BDBM68839

Cc1ccc2c(cc3n2cn[nH]c3=O)c1

BDBM63072

NC1=c2c(N)c(C#N)c(N)nc2=C2C(CC(=O)N=C2S1)c1ccccc1 |c:1,18,t:12|

BDBM60474

COc1ccc(NC(=O)c2sc(S)nc2N)cc1

BDBM68840

Nc1nc(NCc2ccccc2)nc(Nc2cccc(F)c2)c1[N+]([O-])=O

BDBM68841

Nc1nc(NCc2ccccc2)nc(Nc2ccc(F)cc2)c1[N+]([O-])=O

BDBM68842

CSc1nc(NCc2ccccc2)c2c3CCN(C)Cc3sc2n1

BDBM67590

CN1CCc2c(C1)sc1c2c(=O)n(-c2ccccc2)c2n[nH]c(=S)n12

BDBM68843

Oc1ccc(CNCC2COc3ccccc3O2)cc1

BDBM68844

COc1ccc(cc1)N(CN1C(=O)C2CC=CCC2C1=O)C(=O)c1ccco1 |c:16|

BDBM68845

COc1ccc(Cl)cc1NC(=O)CS(=O)(=O)c1cccc2nsnc12

BDBM68846

c1ccc(c(c1)C(=O)O)Nc2ccccc2C(=O)O

BDBM68847

CCSc1nc(N)nc(-c2cccs2)c1C#N

BDBM68848

[O-][N+](=O)c1cc([CH-]\N=[O+]\C(=O)c2cccc(Cl)c2)ccc1N1CCCCC1

BDBM68849

CON=C(CNC(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1

BDBM68850

[O-][N+](=O)c1cc([CH-]\N=[O+]\C(=O)c2c(F)cccc2F)ccc1N1CCCCC1

BDBM68851

Cc1ccc(cc1)C(=O)\[O+]=N\[CH-]c1ccc(N2CCCCC2)c(c1)[N+]([O-])=O

BDBM68852

[O-][N+](=O)c1cc([CH-]\N=[O+]\C(=O)c2ccc(Cl)cc2Cl)ccc1N1CCCCC1

BDBM50136

[H][C@]12Cc3cc(O)c(OC)cc3-c3c4OCOc4cc(CCN1)c23

BDBM68853

FC(F)(F)c1ccc(CSc2nccn2-c2ccccc2)cc1

BDBM68854

COc1ccc2NC(C)(C)c3sn(-c4ccc(OC)c(OC)c4)c(=S)c3-c2c1

BDBM68855

[O-][N+](=O)c1ccc(N2CCCCCC2)c(c1)[N+]([O-])=O

BDBM68856

CCOc1ccc2NC(C)(C)c3sn(-c4ccc(OC)c(OC)c4)c(=S)c3-c2c1

BDBM68857

Oc1cc(SC(Nc2ccccc2)=Nc2ccccc2)c(O)n1-c1cccc2ccccc12 |w:13.14,(12.34,1.94,;10.87,1.46,;10.4,-0,;8.86,-0,;7.95,-1.25,;8.58,-2.66,;7.67,-3.9,;6.14,-3.74,;5.24,-4.99,;3.71,-4.83,;3.08,-3.42,;3.99,-2.17,;5.52,-2.34,;10.11,-2.82,;10.74,-4.23,;9.83,-5.47,;10.46,-6.88,;11.99,-7.04,;12.9,-5.79,;12.27,-4.39,;8.38,1.46,;6.92,1.94,;9.63,2.37,;9.63,3.91,;8.3,4.68,;8.3,6.22,;9.63,6.99,;10.96,6.22,;12.34,7.04,;13.73,6.25,;13.73,4.64,;12.34,3.85,;10.96,4.68,)|

BDBM68858

COc1ccc(cc1)-c1c(C)oc2ccc(C)cc12

BDBM68859

O=C(Nc1ccccc1)C(=O)Nc1ccccn1

BDBM50138

O=C1NC(SC1=Cc1ccccc1)=NNc1ccccc1 |w:13.15,6.7|

BDBM50033327

C(Nc1nc(nc2ccccc12)-c1ccccc1)c1cccnc1

BDBM68860

Clc1ccc(cc1)-c1nnc(-c2ccccc2)c(n1)N1CCSCC1

BDBM50140

COc1cc(CN=Nc2ccc(cc2)[N+]([O-])=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 |w:7.7|

BDBM68861

CC[n+]1c(CC=Nc2ccccc2)sc2ccccc12 |w:6.6|

BDBM60302

CC[n+]1c(\C=C\N(C)c2ccccc2)sc2ccc(Cl)cc12

BDBM68862

[#6]-[#6]-[#7]-c1nc(-[#7])c(s1)-[#6](=[#6](\C#N)C#N)\c1ccccc1

BDBM45517

O=C(CCC(=O)N(CC(=O)NCc1ccccc1)Cc1cccs1)Nc1nccs1

BDBM68863

Cc1ccc(cc1)C(N(CC1CCCO1)C(=O)CNC(=O)c1cccs1)C(=O)NC1CCCCC1

BDBM68864

Brc1ccc(CC2SC(=NN=Cc3ccco3)N(CC=C)C2=O)cc1

BDBM39773

CCN1\C(Sc2ccccc12)=C\c1ccc2cccc(C)c2[n+]1CC

BDBM68865

O=C(N1CC(=O)Nc2ccccc12)c1ccco1

BDBM68866

CN1\C(=C\C=C(\C#N)C(N)=O)C(C)(C)c2ccccc12

BDBM55489

[H]C12CCC([H])(CC(C1)NC(=S)Nc1ccc(C)cc1C)N2Cc1ccco1

BDBM68867

CCn1c(n[nH]c1=S)-c1ccc(cc1)[N+]([O-])=O

BDBM68868

COc1ccc2N(C(=O)CSC3=NCCS3)C(C)(C)c3ssc(=S)c3-c2c1 |t:11|

BDBM68869

OC(=O)c1ccccc1N=NCc1ccnc2ccccc12 |w:9.9|

BDBM68870

COc1ccc(OCCCC(=O)NCc2ccco2)cc1

BDBM44996

O=C(CSc1nc(-c2cccs2)c(C#N)c(=O)[nH]1)c1cccs1

BDBM68871

CCn1c(\C=C\N(C)c2ccccc2)[n+](CC)c2ccc(Cl)cc12

BDBM44998

Cc1cccc(NC(=O)CSc2nc(-c3ccccc3)c(C#N)c(=O)[nH]2)c1C

BDBM68872

CCOC(=O)c1cnc2ccc(cc2c1Nc1ccc2OCCOc2c1)C(=O)OC

BDBM68873

COc1ccc(cc1)-n1sc2c(-c3cc(OC)ccc3NC2(C)C)c1=S

BDBM68874

O=C(NC1CC1)c1sccc1NC(=O)c1ccccc1

BDBM68875

O=C(\C=C\c1ccc2ccccc2c1)c1ccoc1

BDBM68876

[O-][N+](=O)c1cc([CH-]N=[OH+])ccc1SCc1ccccc1Cl

BDBM68877

[O-][N+](=O)c1cc([CH-]N=[OH+])ccc1SCc1ccccc1

BDBM68878

COc1ccc(cc1)-c1nc(nc(Cl)c1C#N)-c1ccccc1

BDBM68879

CSc1nc2ncc3C(=O)N4CCc5ccccc5C4Cc3n2n1

BDBM68880

Nc1c(sc(Nc2ccccc2)c1C#N)C(=O)c1ccccc1

BDBM68881

CCOC(=O)C1=C(C)NC(=O)C1=CNc1ccccc1 |w:12.13,c:5|

BDBM68882

Clc1ccc(cc1Cl)C(=O)Nc1ccnc(n1)-c1cccnc1

BDBM41079

O=C1Nc2ccccc2C1=Cc1cnc[nH]1 |w:10.12|

BDBM68883

COc1cccc(c1)-n1sc2c(-c3cc(OC)ccc3NC2(C)C)c1=S

BDBM68884

O=c1[nH]c(nc(-c2ccccc2)c1C#N)-c1ccccc1

BDBM68885

COc1ccc(cc1)-c1nc([nH]c(=O)c1C#N)-c1ccccc1

BDBM68886

COc1ccc(cc1)-c1nn(cc1C=NNS(=O)(=O)c1ccccc1)-c1ccccc1

BDBM68887

OC(=O)c1cc(ccc1Cl)-c1ccc(CN=Nc2ccc(Cl)cc2)o1 |w:16.17|

BDBM68888

CC1(C)CC(=O)C=C(C1)NCc1ccccc1 |c:6|

BDBM68889

O=c1[nH]c(N=NCc2ccccc2)nc2ccccc12 |w:4.3|

BDBM45528

Cc1ccc(cc1)-c1nn(cc1C=NNS(=O)(=O)c1ccccc1)-c1ccccc1 |w:13.15|

BDBM45010

Cc1ccc(cc1)S(=O)(=O)NN=Cc1cn(nc1-c1ccccc1)-c1ccccc1 |w:11.11|

BDBM41085

CCOC(=O)c1cnc2ccc(C)cc2c1Nc1ccc(cc1)N1CCOCC1

BDBM68890

COC(=O)c1cc(cc(c1)[N+]([O-])=O)C(=O)Nc1cc(C)ccn1

BDBM68891

CCOC(=O)c1sc(NC(=O)CCN2C(=O)c3cccc(c3C2=O)[N+]([O-])=O)c(C(=O)OCC)c1C

BDBM68892

O=C(Nc1cccc(c1)-c1cnc2ccccc2n1)c1ccccc1

BDBM68893

CCCCc1cc(=O)oc2cc(OS(C)(=O)=O)ccc12

BDBM68894

Nc1ncnc(N(C2CCCCC2)c2ccccc2)c1[N+]([O-])=O

BDBM67945

[O-][N+](=O)c1cc(ccc1N1CCOCC1)C(=O)Nc1ccc(cc1)-c1nc2ccccc2o1

BDBM68895

COC(=O)c1nnn(c1CSc1nc2ccccc2o1)-c1nonc1N

BDBM68896

CC1CCCCN1c1cc(C#N)c(cc1[N+]([O-])=O)C#N

BDBM58974

Oc1ccc(cc1)N1CCN(CC1)C(=S)NCCc1ccccc1

BDBM68897

OCCNc1cc(N2CCCCCC2)c(cc1[N+]([O-])=O)[N+]([O-])=O

BDBM68898

O=[#6](-[#7]-c1ccccc1)-[#8]\[#7]=[#6]-1\c2ccccc2-c2ccccc-12

BDBM68899

CC(=O)Nc1ccccc1C(=O)OCc1ccc(cc1)C(=O)c1ccccc1

BDBM41613

Cc1ccc(cc1)-c1nn(cc1C=NNC(=O)c1ccc(Br)o1)-c1ccccc1 |w:13.15|

BDBM67949

COc1ccc(cc1)-c1nn(cc1C=NNC(=O)c1ccc(Br)o1)-c1ccccc1

BDBM68900

CCOC(=O)c1cnc2ccc(OC)cc2c1Nc1ccc2OCCOc2c1

BDBM68901

[O-][N+](=O)c1cc(ccc1NCCCN1CCOCC1)C(=O)Nc1cccc(Cl)c1

BDBM67964

Cc1ccc(cc1)N(C1CCCCC1)c1ncnc(N)c1[N+]([O-])=O

BDBM68902

[#6]-c1ccc(cc1)-c1nn(cc1\[#6]=[#6]-1/[#6](=O)-[#6]C([#6])([#6])[#6]-[#6]-1=O)-c1ccccc1

BDBM68903

[H]C12CC(C)(CN1S(=O)(=O)c1ccc(cc1)C(=O)Nc1ccc(Cl)c(c1)S(=O)(=O)N1CCOCC1)CC(C)(C)C2 |TLB:7:6:2:36.35.39|

BDBM68904

CS(=O)(=O)N(Cc1ccccc1)c1ccc(cc1)C(=O)Nc1ccccc1Sc1ccccc1

BDBM68905

CCOc1ccccc1NC(=O)N1CCC2(CC1)OCCO2

BDBM68906

Clc1ccc(cc1)-c1ccc(C=NNC(=O)Cn2nnc(n2)-c2ccccc2)o1

BDBM65137

CC[n+]1c(\C=C\N(C)c2ccccc2)oc2ccccc12

BDBM68907

CCCCC(=O)Nc1ccc(cc1)C(=O)NNC(=O)CCCOc1ccc(Cl)cc1Cl

BDBM68908

Cc1ccc(SCCc2ccc(C)nc2)cc1

BDBM68909

NNc1nccc(Nc2ccccc2C(O)=O)n1

BDBM68910

CC[n+]1c(\C=C\N(C)c2ccccc2)oc2ccc(Cl)cc12

BDBM68911

CCOC(=O)c1cnc2ccc(F)cc2c1Nc1ccc2OCCOc2c1

BDBM68912

CCc1cccc(C)c1NC(=O)CSc1nnc(CCCOc2ccc(Cl)cc2Cl)n1C

BDBM57496

CCC(=O)Nc1ccc(Nc2nc(C)c(c(Nc3ccc(NC(=O)CC)cc3)n2)[N+]([O-])=O)cc1

BDBM45061

O=C(CSc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1)N(c1ccccc1)c1ccccc1

BDBM68913

Oc1ccc(CN=Nc2ncc(Br)cn2)c(O)c1 |w:6.5|

BDBM68914

Cc1oc(C=NNC(=O)CN(c2ccccc2C)S(C)(=O)=O)cc1Br

BDBM68915

CC[n+]1c(\C=C\N(C)c2ccccc2)oc2ccc(F)cc12

BDBM68916

Cc1cccc(Nc2nc(NCCCN3CCOCC3)nc(N)c2[N+]([O-])=O)c1

BDBM68917

CCN1CCN(CC1)c1nc(N)c(c(Nc2cccc(C)c2)n1)[N+]([O-])=O

BDBM68918

Nc1nc(NCC2CCCO2)nc(Nc2ccc(F)cc2)c1[N+]([O-])=O

BDBM68919

Nc1nc(NCC2CCCO2)nc(Nc2ccccc2)c1[N+]([O-])=O

BDBM68920

Fc1ccccc1Nc1nc(nc2ccccc12)-c1ccncc1

BDBM68921

[O-][N+](=O)c1ccccc1OCC(=O)NN=Cc1cccs1

BDBM68922

Cc1ccc2=NC(=O)C(NN3C(=O)c4ccccc4C3=O)=c2c1 |c:22,t:4|

BDBM68923

CC(C)CCNc1nc(N)c(c(NCC2CCCO2)n1)[N+]([O-])=O

BDBM34753

C[C@@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O

BDBM68924

COc1ccc(CCNC(=O)C(C(=O)c2ccccc2)n2cc(Cl)ccc2=O)cc1OC

BDBM68925

COc1ccc(C=C2SC(NCc3ccccc3)=NC2=O)cc1 |w:6.5,c:18|

BDBM68926

COc1ccccc1\C=C\C=C1/Oc2c(ccc(O)c2CN2CCN(CCO)CC2)C1=O

BDBM68927

Cc1ccc(Nc2nc(NCCCN3CCOCC3)nc(N)c2[N+]([O-])=O)cc1

BDBM68928

CCN1CCN(Cc2c3O\C(=C/C=C/c4ccccc4)C(=O)c3ccc2O)CC1

BDBM60511

Oc1ccc(C=C2SC(NCc3ccccc3)=NC2=O)cc1 |w:5.4,c:17|

BDBM68929

Nc1nc(NCCCN2CCOCC2)nc(Nc2ccc(F)cc2)c1[N+]([O-])=O

BDBM68930

CC1CN(CCN1c1cccc(C)c1)C(=O)c1csc2ccccc12

BDBM68931

CCOC(=O)c1cnc2ccc(Cl)cc2c1Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1

BDBM49588

COC(=O)Cc1ccc2sc(nc2c1)-c1ccccc1

BDBM68932

COc1ccc2NC(C)(C)c3sn(-c4ccccc4)c(=S)c3-c2c1

BDBM68933

COc1ccc(\C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2ccncc2)c(OC)c1

BDBM35901

OC(=O)c1ccccc1Nc1ccc(cc1)[N+]([O-])=O

BDBM68934

Cc1ccc(OCC(=O)NN=C2SCC(=O)N2Cc2ccccc2)cc1

BDBM68935

Nc1nnnn1\N=C\c1ccc(N2CCCCC2)c(c1)[N+]([O-])=O

BDBM68936

CCOC(=O)c1ccc2[n+](CC)c(\C=C\N(C)c3ccccc3)n(CC)c2c1

BDBM68002

Fc1ccc(cc1)C(N(Cc1ccccc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O)C(=O)NC1CCCCC1

BDBM68937

Cc1cc(C(=O)c2ccccc2)c(NC(=O)CN2CCOCC2)s1

BDBM68938

Cc1c(Br)c(nn1CC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O)[N+]([O-])=O

BDBM68939

CC1(C)CC(=O)C2C(C3=C(N=C2C1)c1ccccc1C3=O)c1ccc(O)cc1 |c:8,10|

BDBM68940

Cc1ccc(cc1)S(=O)(=O)NCC1COc2ccccc2O1

BDBM22811

COc1ccc2NC(=O)C(=O)c2c1

BDBM68941

COc1cccc(c1)N(C(C(=O)NC1CCCCC1)c1cccs1)C(=O)CS(=O)CC(=O)Nc1ccc(F)cc1

BDBM68942

CCC(=NNC(=O)CSCc1ccccc1Cl)c1ccc2OCCOc2c1 |w:3.3|

BDBM68943

CCOC(=O)C(C(=O)Nc1ccc(Cl)cc1Cl)C1=NC(C)(C)Cc2ccccc12 |t:18|

BDBM68944

CCn1c(\C=C\N(C(C)=O)c2ccccc2)[n+](CC)c2ccc(Cl)cc12

BDBM68945

NNC(=O)CNC(=O)c1ccc(F)cc1

BDBM68946

CCOC(=O)C=C(C)[N+]1=N[C-](CC1c1cccc(c1)[N+]([O-])=O)c1ccc(OC)cc1 |w:5.4,t:8|

BDBM68947

CC1CC(=O)Nc2ccc(cc2N1C)[N+]([O-])=O

BDBM68948

[O-][N+](=O)c1ccc(Cl)cc1NCCCN1CCOCC1

BDBM68949

Cc1c(Br)c(nn1CCCC(=O)N1CCN(CC1)c1ccccc1)[N+]([O-])=O

BDBM68950

[O-][N+](=O)c1ccccc1Oc1ccccc1Cl

BDBM68951

[O-][N+](=O)c1ccccc1OCC(=O)NN=Cc1ccc(OC(=O)c2ccco2)cc1

BDBM68952

CC1=C(C(C2C(=O)CC(C)(C)CC2=N1)c1ccsc1)C(=O)Nc1ccccc1F |c:13,t:1|

BDBM68953

CCOC(=O)c1cnc2ccc(OC)cc2c1NCCc1ccc(OC)c(OC)c1

BDBM68954

Clc1cccc(NC(=O)NN=Cc2ccco2)c1 |w:10.9|

BDBM68955

COc1cc(C=NNC(=O)COc2ccccc2[N+]([O-])=O)ccc1OC(=O)c1ccco1

BDBM68956

Fc1cc(Cl)ccc1NC(=O)CCS(=O)(=O)c1ccc(Br)cc1

BDBM68957

CN(Cc1ccccc1)S(=O)(=O)c1ccc2NC(=O)CC(=O)Nc2c1

BDBM68958

COC(=O)C(Nc1ccc(cc1[N+]([O-])=O)C(=O)OC)C(C)C

BDBM68959

CCC(C)NC(=O)CNC(=S)N(CCCN1CCOCC1)Cc1cccs1

BDBM68960

Fc1ccc(F)c(NC(=O)CCSCCc2ccccn2)c1

BDBM68961

CN(CCO)c1cc(N2CCC3(CC2)OCCO3)c2nonc2c1[N+]([O-])=O

BDBM68962

CCOC(=O)C1C(c2cc(OC)ccc2OC)n2ncnc2N=C1C(F)(F)F |c:24|

BDBM68963

COCCNc1nc(N)c(c(NCC2CCCO2)n1)[N+]([O-])=O

BDBM68964

Cc1ccc(Nc2nc(N)c(c(NCc3ccco3)n2)[N+]([O-])=O)cc1

BDBM68965

Cc1cccc(Nc2nc(N)c(c(NCc3ccco3)n2)[N+]([O-])=O)c1

BDBM68966

Nc1nc(Nc2ccccc2)nc(NCc2ccco2)c1[N+]([O-])=O

BDBM68967

CNc1nc(N)c(c(NCCO)n1)[N+]([O-])=O

BDBM68968

Cc1cccc(Nc2nc(N)c(c(n2)N2CCOCC2)[N+]([O-])=O)c1

BDBM68969

CC(C)CNc1nc(N)c(c(NCC2CCCO2)n1)[N+]([O-])=O

BDBM68970

COc1cc([CH+][N-]NC(=O)c2ccc(O)cc2)ccc1Oc1ccc(cn1)[N+]([O-])=O

BDBM68971

COc1cccc(c1)C(=O)N\N=C\c1ccc(Oc2ccc(cn2)[N+]([O-])=O)c(OC)c1

BDBM68972

COc1cc(\C=N\NC(=O)c2ccc3ccccc3c2)ccc1Oc1ccc(cn1)[N+]([O-])=O

BDBM68973

COc1ccc(cc1)-c1nn(cc1C=NNC(=S)NCC=C)-c1ccccc1 |w:14.16|

BDBM68974

COc1ccc2N(C(C)(C)c3ssc(=S)c3-c2c1)S(=O)(=O)c1ccc(C)cc1

BDBM68975

[O-][N+](=O)c1ccccc1[CH+][N-]n1c(n[nH]c1=S)C1CCCCC1

BDBM68976

N#C\[#6](=[#6]\c1cc2ccccc2nc1-[#7]-1-[#6]-[#6]-[#8]-[#6]-[#6]-1)C#N

BDBM68977

Cc1cc(NC(=O)\C=C\c2cccc(F)c2)n(n1)-c1nc2ccccc2[nH]1

BDBM68978

[O-][N+](=O)c1cc(ccc1Cl)-c1nc(no1)-c1ccncc1

BDBM68979

Cc1ccc(cc1)S(=O)(=O)N1CCN(CC(=O)NN=Cc2ccco2)CC1

BDBM68980

Fc1ccc(Nc2nc(nc3ccccc23)-c2ccncc2)cc1

BDBM50033320

N(c1ccccc1)c1nc(nc2ccccc12)-c1ccncc1

BDBM68981

[O-][N+](=O)c1ccccc1OCC(=O)NN=Cc1ccccn1

BDBM68982

Cc1ccc(Nc2nc(NCC3CCCO3)nc(N)c2[N+]([O-])=O)cc1

BDBM68983

Cc1cccc(Nc2nc(NCC3CCCO3)nc(N)c2[N+]([O-])=O)c1

BDBM68984

Cc1ccccc1C1=NC(c2c(N1)n(C)c(=O)n(C)c2=O)(C(F)(F)F)C(F)(F)F |t:8|

BDBM68985

CN1CCN(CC1)c1nc(N)c(c(Nc2cccc(C)c2)n1)[N+]([O-])=O

BDBM68986

Cc1[n-]n(-c2ccccc2)c(=O)c1\C=[NH+]\NC(=O)COc1ccccc1[N+]([O-])=O

BDBM68987

Cn1cc([CH+][N-]NC(=O)COc2ccccc2[N+]([O-])=O)c2ccccc12

BDBM52461

CCOc1ccc(cc1)N1C(=O)S\C(=C/c2cccn2C)C1=O

BDBM68988

CN(C)c1nc(N)c(c(NCCO)n1)[N+]([O-])=O

BDBM62452

Cc1ccc(Nc2nc(NCC3CCCO3)nc(N)c2[N+]([O-])=O)cc1C

BDBM58983

SC1=NC(=O)C(S1)=Cc1ccc(o1)N1CCOCC1 |w:7.8,t:1|

BDBM68989

Nc1nc(NCCO)nc(NCC2CCCO2)c1[N+]([O-])=O

BDBM68990

Nc1nc(NCCCN2CCOCC2)nc(Nc2ccccc2)c1[N+]([O-])=O

BDBM68991

CCOC(=O)c1cnc2c(C)cccc2c1Nc1ccc(cc1)N1CCOCC1

BDBM68992

CCOC(=O)c1ccc2ncc(C(=O)OCC)c(Nc3ccc(cc3)N3CCOCC3)c2c1

BDBM68993

CC(NC(=O)\C=C\c1ccco1)c1nc2ccccc2n1Cc1ccccc1F

BDBM68994

COc1ccc2oc3cc(C)[n+]([O-])c(-c4ccc(Cl)cc4)c3c2c1

BDBM68995

COc1ccc2oc3cc(C)[n+]([O-])c(-c4ccc(Br)cc4)c3c2c1

BDBM61508

COc1ccc(CNCCC(c2ccc(F)cc2)c2ccc(OC)cc2)cc1

BDBM68996

OC(=O)CCn1cc(\C=C/C(=O)c2ccc(Cl)cc2)c(n1)-c1cccc(Br)c1

BDBM68997

Cc1ccc(Nc2nc(NCCCN3CCOCC3)nc(N)c2[N+]([O-])=O)cc1C

BDBM68998

Nc1nc(NCC2CCCO2)nc(NCC2CCCO2)c1[N+]([O-])=O

BDBM68999

Nc1nc(Nc2ccccc2)nc(N2CCOCC2)c1[N+]([O-])=O

BDBM69000

COc1ccc2cc(C(N)=O)c(=NNC(=O)c3ccco3)oc2c1

BDBM69001

COCCNc1nc(N)c(c(NCCO)n1)[N+]([O-])=O

BDBM69002

Fc1cccc(CN=Nc2ncnc3nc[nH]c23)c1 |w:8.8|

BDBM69003

COc1ccc(cc1OC)-c1nn(cc1\C=C(/C#N)S(=O)(=O)c1ccccc1)-c1ccccc1

BDBM50274

CC1CCc2c(C1)sc(Nc1nc3c(F)cccc3s1)c2C(N)=O

BDBM69004

CCc1ccc(cc1)C1NC(=S)N=C2CC(C)(C)CC(=O)C12 |t:13|

BDBM69005

CCSc1nnc(NC(=O)CSc2nnc(CNC(=O)c3cc(OC)c(OC)c(OC)c3)o2)s1

BDBM69006

Fc1ccccc1NC(=O)Cn1c2ccccc2c(=O)c2ccccc12

BDBM69007

Fc1ccc(CSc2ccc3nnc(-c4cccs4)n3n2)cc1

BDBM69008

Fc1ccc(cc1)S(=O)(=O)c1nc(oc1Nc1ccccc1)-c1ccco1

BDBM51045

Fc1ccccc1CN=Nc1ncnc2nc[nH]c12 |w:9.10|

BDBM69009

C(Sc1ccc2nnc(-c3cccnc3)n2n1)c1ccccc1

BDBM69010

Cc1cccc(CSc2ccc3nnc(-c4cccs4)n3n2)c1

BDBM69011

COc1ccc(cc1)-c1nnc(NC(=O)C2=COCCO2)o1 |t:16|

BDBM69012

Cc1ccc(CSc2ccc(nn2)-c2cccs2)cc1

BDBM69013

CCOC(=O)CCCSc1nnc(CCCCCN2C(=O)c3cccc4cccc(C2=O)c34)o1

BDBM69014

Clc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)NCC(N1CCOCC1)c1cccs1

BDBM69015

CCCCOc1ccc(\C=C\C(=O)OCC(=O)N2CC(=O)Nc3ccccc23)cc1OCC

BDBM53838

Oc1ccc(Br)cc1C=NNC(=O)c1ccccc1Cl |w:9.10|

BDBM69016

NS(=O)(=O)c1ccc(CCNC(=O)CSc2nc3ccsc3c(=O)n2C2CC2)cc1

BDBM69017

O=C1N=C(NCc2ccccc2)SC1=Cc1ccccc1 |w:14.16,t:2|

BDBM69018

COC1=C\C(=C\c2c(N)n3cc(C)sc3nc2=O)C=CC1=O |c:20,t:2|

BDBM69019

CCOC(=O)c1c(C)[nH]c(C(=O)CSc2nccc(C)n2)c1C

BDBM69020

COc1ccc(cc1[N+]([O-])=O)-c1nn(CCC(O)=O)cc1\C=C\C(O)=O

BDBM69021

CCOc1cc(ccc1OCC(=O)N1CCOCC1)C(=O)OCC(=O)Nc1ccc(Cl)cn1

BDBM49631

CCNc1nc(N)nc(n1)-c1cc(Cl)ccc1O

BDBM69022

COCC(C)n1c(C)cc(C(=O)COC(=O)c2ccc3SCC(=O)Nc3c2)c1C

BDBM69023

Cc1ccc(C=NNC(=O)c2cncc(Br)c2)o1

BDBM69024

Cc1c([CH+][N-]NC(=O)COc2ccccc2[N+]([O-])=O)c2ccccc2n1C

BDBM64636

COc1ccc(cc1)-n1c2n[nH]c(=S)n2c2sc3CCCCc3c2c1=O

BDBM69025

COc1cc2CCN(C(C)c2cc1OC)C(=O)c1ccc(Br)o1

BDBM69026

Brc1ccc(cc1)C1=NN(C(C1)c1ccco1)C(=O)C1CCCO1 |t:8|

BDBM69027

COc1ccc(cc1OC)-c1nn(cc1C=NNC(N)=S)-c1ccccc1 |w:16.18|

BDBM49638

Clc1cc(CN=O)ccc1OCc1ccccc1

BDBM69028

CC(CC(=O)Nc1ccc(F)c(c1)[N+]([O-])=O)c1ccccc1

BDBM55629

[#6]-[#6]-[#8]-c1cc(-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])ccc1-[#8]-[#6]-c1ccc(Cl)cc1 |w:7.7|

BDBM69029

COc1ccc(Cl)cc1-n1c(C)ccc1C |(3.08,-1.18,;4.41,-.41,;5.75,-1.18,;5.75,-2.72,;7.08,-3.49,;8.41,-2.72,;9.75,-3.49,;8.41,-1.18,;7.08,-.41,;7.08,1.13,;8.33,2.03,;9.79,1.55,;7.85,3.49,;6.31,3.49,;5.84,2.03,;4.37,1.55,)|

BDBM57656

COc1cc(cc(OC)c1OC)C(=O)NC(=S)N(CCc1ccccc1)CCc1ccccc1

BDBM69030

COc1cc(cc(OC)c1OC)-c1n[nH]c2OC(=N)C(C#N)C(c3ccco3)c12

BDBM69031

CCn1c(n[nH]c1=S)-c1nn(C)cc1Cl

BDBM69032

COc1cccc(c1)C1C(C#N)C(C)=NC2=C1C(=O)CC(C)(C)C2 |c:14,16|

BDBM69033

Cc1ccnc(NC(=O)Cn2ccc(n2)[N+]([O-])=O)c1

BDBM69034

COc1cc([CH-]N=[O+]C)ccc1Oc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O |w:7.7|

BDBM69035

COc1ccc(cc1)C(=O)OCCc1ccc(O)cc1

BDBM23448

CCCCOC(=O)c1ccc(cc1)O

BDBM69036

NC(=O)c1ccc(Oc2ccc(Cl)c3ccccc23)c(c1)[N+]([O-])=O

BDBM69037

CCN(c1ccccc1)S(=O)(=O)c1cc(NC(=O)Nc2ccccc2C#N)ccc1Cl

BDBM69038

CCOC(=O)C(=C\c1cn(CCC(O)=O)nc1-c1ccccc1)\C#N

BDBM69039

FC(F)(F)C(=O)\C=C\N1CCC(CC1)C(=O)OCC(=O)Nc1ccccc1

BDBM69040

Cc1ccc(c(C)c1)-c1cc(C(=O)NCCc2ccccn2)c2ccccc2n1

BDBM69041

Cc1nn(c(Cl)c1C(=O)NCc1cccs1)-c1ccccc1

BDBM69042

CCOc1ccc(NC(=O)COC(=O)c2ccc3C(=O)N(CCc4ccccc4)C(=O)c3c2)cc1

BDBM69043

CC(C)(C)NC(=O)NC(=O)COc1ccc(Br)cc1Br

BDBM67598

CCNC(=S)Nc1ccc2cn[nH]c2c1

BDBM44067

CC(=NNC(=S)Nc1c(C)cccc1C)c1cc2ccccc2o1 |w:2.2|

BDBM65219

COc1ccc(cc1OC)-c1nn(cc1C=NNC(=S)NC(C)C)-c1ccccc1 |w:16.18|

BDBM69044

COc1ccc(cc1OC)-c1nn(cc1CN=Nc1ccccn1)-c1ccccc1 |w:16.17|

BDBM69045

COc1ccc(cc1OC)-c1nn(cc1CN=Nc1ccc2ccccc2n1)-c1ccccc1 |w:16.17|

BDBM69046

CCOc1ccc(cc1)C(=O)NCC(=O)OCc1c(C)noc1C

BDBM69047

Cc1nn(c(N2CCCC2)c1C=NNC(=O)c1cccc(c1)S(=O)(=O)Nc1ccc(C)cc1C)-c1ccccc1

BDBM69048

NS(=O)(=O)c1cccc(NC(=O)COC(=O)C(=C\c2cccs2)\c2cccs2)c1

BDBM69049

FC(F)Oc1ccc(cc1)C(=O)NC(=O)COC(=O)C1CCN(CC1)S(=O)(=O)c1ccccc1

BDBM69050

CCNc1ccc(cc1NCC(=O)Nc1ccc(Br)cc1F)S(=O)(=O)N(C)C

BDBM69051

CN(C)S(=O)(=O)c1ccc(C)c(NC(=O)c2ccc(OC(F)(F)F)cc2)c1

BDBM69052

[O-][N+](=O)c1ccc(NC(=O)CN2CCN(CC2)S(=O)(=O)c2ccccc2)cc1

BDBM69053

CCN(CC)S(=O)(=O)c1cccc(NC(=O)COc2ccc(Cl)cc2Br)c1

BDBM67102

Cc1ccc(C)c(c1)S(=O)(=O)N1CCN(CC1)C(C(=O)Nc1ccc(F)cc1)c1ccccc1

BDBM69054

[#6]-[#8]-c1ccc(cc1-[#8]-[#6])-c1nn(cc1-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])-c1ccccc1 |w:16.18|

BDBM47279

O=C(Nc1cccnc1)c1sc(Nc2ccccc2)nc1-c1ccccc1

BDBM69055

CN(C)S(=O)(=O)c1cc(NC(=O)COC(=O)Cc2ccc(Br)cc2)ccc1Cl

BDBM69056

CCOC(=O)c1c(C)oc2c(CC(=O)c3ccccc3)c(Cl)c(O)c(O)c12

BDBM69057

Cc1ccc(NC(=O)CSCc2ccc(F)cc2)cc1

BDBM69058

CC(C)c1ccc(NS(=O)(=O)c2ccc(Cl)nc2)cc1

BDBM69059

COc1ccc(Cl)cc1-c1nc(N)nc(n1)N(C)C

BDBM69060

Clc1ccc2Sc3ccccc3C(=S)Nc2c1

BDBM69061

[O-][N+](=O)c1ccc(c(c1)[N+]([O-])=O)-n1nnnc1-c1ccccc1

BDBM69062

COc1ccc(Cl)cc1-c1nc(N)nc(NC2CCCCC2)n1

BDBM60566

CCCn1cc(cn1)-c1ccc(nn1)N1CCC(CC1)n1ccc2ccc(F)cc12

BDBM69063

CN(C)C(=O)OCCc1n(C)cc[n+]1C

BDBM69064

COc1ccc(OC)c(c1)C(=O)c1coc2ccc(OC(C)=O)cc12

BDBM69065

[O-][N+](=O)c1ccc(NC(=O)C2CC2)nc1

BDBM69066

CN(C)CCOC(c1ccc(C)cc1)c1cccc(c1)C(F)(F)F

BDBM69067

COc1cccc(c1)C(=O)CN1C=CC=CC1=C[NH+]=O |w:17.19,c:13,15|

BDBM69068

Cc1nn(C)c(C(=O)N2CCc3ccccc23)c1Br

BDBM69069

Cn1nnnc1Sc1c(Cl)cccc1[N+]([O-])=O

BDBM69070

[O-][N+](=O)c1cccc(\C=C(\NC(=O)c2ccccc2)C(=O)NCC=C)c1

BDBM69071

COc1cccc(c1)-n1c(Cn2nc(cc2C(F)F)C(F)F)n[nH]c1=S

BDBM69072

COc1cccc(c1)N=Nc1c(N)[nH][nH]c1=O |w:8.8|

BDBM69073

ON1C(Nc2ccccc2C1=O)c1c[nH]nc1-c1ccccc1

BDBM69074

CC(CC(=O)NCc1ccccc1)=NNC(=O)c1cnccn1 |w:13.14|

BDBM69075

CC(C)C(=O)NC(=S)Nc1ccc(cc1)S(=O)(=O)N1CCCC1

BDBM69076

CC(C)C(=O)NN=C(C)C=Cc1ccccc1F |w:6.5,10.10|

BDBM69077

CC1=NC2=C(C(C1C#N)c1ccc(O)cc1)C(=O)CC(C)(C)C2 |c:3,t:1|

BDBM69078

Oc1c(C=NCc2ccco2)c(=O)[nH]c(=S)n1-c1ccccc1F |w:4.4,(5.66,-2.34,;6.99,-1.57,;6.99,-.03,;5.66,.74,;5.66,2.28,;4.33,3.05,;4.33,4.59,;5.57,5.5,;5.1,6.96,;3.56,6.96,;3.08,5.5,;8.33,.74,;8.33,2.28,;9.66,-.03,;9.66,-1.57,;10.99,-2.34,;8.33,-2.34,;8.33,-3.88,;9.66,-4.65,;9.66,-6.19,;8.33,-6.96,;6.99,-6.19,;6.99,-4.65,;5.66,-3.88,)|

BDBM69079

O=C1CCCC2=Nc3ccccc3NC(C12)c1cccs1 |t:5|

BDBM69080

Cc1ccc(NC(=O)c2ccc(cc2)N(CC=C)S(C)(=O)=O)cc1C

BDBM69081

CC(C)c1ccc(cc1)C(=O)NCCCN1CCN(CCCNC(=O)c2ccc(cc2)C(C)C)CC1

BDBM69082

COc1ccc(cc1OC)C(=O)Nc1ccc(cn1)[N+]([O-])=O

BDBM69083

CC(C)Nc1nc(NC(C)C)nc(NC(N)=S)n1

BDBM69084

CC(=O)NCC1COc2ccccc2O1

BDBM69085

COc1ccc(cc1)-c1nnc2ccc(SCc3ccccc3)nn12

BDBM69086

O=C(CCS(=O)(=O)c1ccccc1)Nc1cccc2C(=O)NC(=O)c12

BDBM69087

Cc1nnc(SCC(=O)Nc2nccs2)n(N)c1=O

BDBM47603

COc1cc(C=C2SC(Nc3ccc(O)cc3)=NC2=O)cc(OC)c1O |w:5.4,c:17|

BDBM69089

Nc1ncnc(N2CCc3ccccc23)c1[N+]([O-])=O

BDBM69090

O=C(CN1C(=O)CCC1=O)Nc1cccc2C(=O)NC(=O)c12

BDBM69091

Oc1ccc(cc1)-c1nncn1-c1ccccc1

BDBM69092

CC1=NN(C(=O)CCc2ccc3OCOc3c2)C(O)(C1)C(F)(F)F |t:1|

BDBM69093

CC(=O)Nc1c(N)c2ccccc2oc1=O

BDBM69094

CC(C(=O)Nc1cc(C)ccn1)n1cc(cn1)[N+]([O-])=O

BDBM69095

CC(=O)COc1cc(C)cc2oc(=O)cc(-c3ccccc3)c12

BDBM69096

Cc1ccnc(NC(=O)Cn2cc(cn2)[N+]([O-])=O)c1

BDBM69097

CC(C(=O)Nc1cccc(C)n1)n1cc(cn1)[N+]([O-])=O

BDBM69098

CC(C(=O)NCc1ccco1)n1cc(cn1)[N+]([O-])=O

BDBM54737

[#8]-[#6](=O)-[#6]-[#6]-n1cc(\[#6]=[#6]-2\[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-2=O)c(n1)-c1ccccc1

BDBM69099

CCOC(=O)CNC(=O)CSc1ccc2nnc(-c3cccnc3)n2n1

BDBM69100

O=C(CN1C(=O)CCC1=O)Nc1cccc(NC(=O)CN2C(=O)CCC2=O)c1

BDBM69101

CC1CCCCC1NC(=O)CN(C)S(=O)(=O)c1cccc2cccnc12

BDBM69102

CCCNC(=O)c1ccc(SCC(=O)N(CC)CC)c(c1)[N+]([O-])=O

BDBM49741

COc1cc(CN=O)ccc1OCc1ccccc1Cl

BDBM69103

CC(C(=O)Nc1cccnc1)n1cc(cn1)[N+]([O-])=O

BDBM69104

O=C(COc1ccc2ccccc2c1)Nc1cccc2C(=O)NC(=O)c12

BDBM69105

CCOC(=O)Cc1csc(NC(=O)c2c(O)c3ccccc3n(CCC(C)C)c2=O)n1

BDBM69106

Clc1ccc(\C=C2/SC(=O)N(CCNC(=O)C3COc4ccccc4O3)C2=O)cc1Cl

BDBM69107

CC1=C(C(C2C(=O)CCCC2=N1)c1cccs1)C(=O)Nc1ccccc1F |c:11,t:1|

BDBM69108

COc1cccc(CN=Nc2cc(Cl)nc(C)n2)c1O |w:8.7|

BDBM69109

O=C(C1CCCN(Cc2nc(Cc3ccccc3)no2)C1)c1cccnc1

BDBM69110

CC(C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O)n1cc(cn1)[N+]([O-])=O

BDBM69111

CC(C(=O)NCc1cc(C)nc2ccccc12)n1cc(cn1)[N+]([O-])=O

BDBM69112

Cc1cc(Cl)nc(Cl)c1C(=O)N1CCOCC1

BDBM69113

COC(=O)c1nnn(c1CSc1nnc(C)s1)-c1nonc1N

BDBM69114

CC(=O)N1CCC(=O)Nc2ccc(cc12)[N+]([O-])=O

BDBM69115

COC(=O)c1nnn(c1CSc1nnc(N)s1)-c1nonc1N

BDBM69116

O=C(Nc1ccc2OCOc2c1)Nc1ccccn1

BDBM69117

CCCCc1cc(=O)oc2cc(O)cc(O)c12

BDBM69118

Cc1c(Cc2ccccc2)c(=O)oc2cc(O)cc(O)c12

BDBM47295

CC(=O)CSc1nc(-c2cccs2)c(C#N)c(=O)[nH]1

BDBM69119

Cn1ncc(Br)c1C(=O)Nc1cccc(c1)C(F)(F)F

BDBM53909

OC(=O)c1cc(ccc1Cl)-c1ccc(C=NNC(=O)Cc2ccc(F)cc2)o1

BDBM69120

OC1(CCCCC1)C#CCN1CCOCC1

BDBM53910

OC(=O)Cc1sc(N[N-][CH+]c2ccc(o2)-c2ccc(Cl)c(c2)[N+]([O-])=O)nc1O

BDBM69121

CCOC(=O)c1nnn(c1CSc1nnc(N)s1)-c1nonc1N

BDBM69122

CNc1nc(N)nc(n1)-c1cc(Cl)ccc1OC

BDBM51771

Cn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccccn1

BDBM69123

CN1CCN(CC1)\N=C\c1ccc(o1)-c1ccc(cc1Cl)[N+]([O-])=O

BDBM69124

[O-][N+](=O)c1ccc(CC(=O)Nc2ccc3C(=O)NC(=O)c3c2)cc1

BDBM69125

CCN(Cc1ccccc1)S(=O)(=O)c1ccc2NC(=O)CC(=O)Nc2c1

BDBM69126

CNCCCOc1cc(C)cc(C)c1C

BDBM69127

Cc1ccc(cc1)-c1nn(cc1CNCc1ccccc1)-c1ccccc1

BDBM69128

COc1cccc(c1)C(=O)Nc1nc2ccc(cc2s1)S(C)(=O)=O

BDBM69129

COc1cccc(c1)C(=O)NCC(=O)NN=C(C)C=Cc1ccccc1 |w:15.15,19.20|

BDBM69130

Cc1nc(Nc2ccc(cc2)S(N)(=O)=O)sc1C(=O)Nc1ccccc1

BDBM60605

Cc1cc(C)n2nc(nc2n1)C(=O)NN=Cc1ccc(O)cc1 |w:14.15|

BDBM69131

Cc1ccc2N=C3CC(C)(C)CC(=O)C3C(Nc2c1)c1cccs1 |t:5|

BDBM69132

Cc1ccc(CSc2nnc(o2)-c2ccncc2)c(C)c1

BDBM69133

[O-][N+](=O)c1cc(\C=N\n2cnnc2)ccc1N1CCCC1

BDBM69134

COc1ccc(C2C(C(C)=O)C(=O)C(=O)N2c2nccs2)c(OC)c1

BDBM69135

CSc1nc2N=C3CCCC(=O)C3C(c3cccs3)n2n1 |t:5|

BDBM69136

CCOc1ccc(NC(=O)Nc2cnccn2)cc1

BDBM69137

COc1cc(NC(=S)Nc2ccccn2)c(OC)cc1Cl

BDBM69138

Brc1ccc(CSc2nnc(o2)-c2cccnc2)cc1

BDBM69139

OC(=O)COc1ccc2oc3ccccc3c2c1

BDBM69140

COc1ccc(cc1)-c1nn(cc1CN=Nc1ccccn1)-c1ccccc1 |w:14.15|

BDBM69141

COc1ccc2occ(C(=O)c3ccccc3)c2c1

BDBM69142

O=NCc1cn(nc1-c1cccnc1)-c1ccccc1

BDBM69143

CCOC(=O)Cc1csc(NC(=O)CSc2nc(-c3ccccc3)c(C#N)c(=O)[nH]2)n1

BDBM69144

COc1cccc(c1)C(=O)Nc1ccc(cc1)C(=O)NCC(C)C

BDBM69145

CC(NCCC(Cc1ccccc1)c1ccco1)c1ccccc1

BDBM69146

OC(=O)CCn1cc(C=O)c(n1)-c1cccc(Cl)c1

BDBM69147

c1ccc(cc1)-c1nnc(nc1-c1ccccc1)-c1ccncc1

BDBM69148

Fc1ccc(CSc2nnc(o2)-c2ccncc2)cc1

BDBM69149

OC(=O)CCn1cc(C=O)c(n1)-c1cccc(Br)c1

BDBM69150

CCn1nc(NC(=O)c2cccs2)c2cc3ccccc3nc12

BDBM69151

[O-][N+](=O)c1ccccc1C(=O)Nc1ccc(cc1)N1CCN(Cc2ccccc2)CC1

BDBM69152

CCn1nc(NC(=O)C2CCCO2)c2cc3cc(C)ccc3nc12

BDBM69153

O=C(CSc1nnc(o1)-c1ccncc1)Nc1ccccc1C#N

BDBM69154

COC(=O)c1nnn(c1COc1ccc(C=O)cc1OC)-c1nonc1N

BDBM53935

Cc1ccc(cc1)S(=O)(=O)NC1=NC(=O)\C(S1)=C\c1ccccc1 |t:12|

BDBM69155

O=C(Nc1ccncc1)c1ccccc1-c1ccccc1

BDBM69156

O=C(COc1ccccc1)Nc1ccc2C(=O)N(CC3CCCO3)C(=O)c2c1

BDBM69157

N#Cc1ccccc1CSc1nnc(Cc2ccccc2)o1

BDBM69158

CCc1ccc(Oc2ncnc(N)c2[N+]([O-])=O)cc1

BDBM69159

Cc1ccc(SCC(=O)Nc2ccc3C(=O)NC(=O)c3c2)cc1

BDBM69160

CC(C)N(C(C)C)C(=O)Cc1ccccc1[N+]([O-])=O

BDBM69161

CCC(C)NCCOCCOc1ccc(Cl)cc1Br

BDBM53938

OC(=O)c1cc(ccc1Cl)-c1ccc(C=NNC(=S)Nc2ccccc2)o1 |w:15.16|

BDBM47306

CNC(=O)NC(=O)CSc1nc(-c2cccs2)c(C#N)c(=O)[nH]1

BDBM63484

Cc1nc(Nc2ccccc2)sc1C

BDBM69162

NC(=O)c1c(NC(=O)CCCn2cnc(n2)[N+]([O-])=O)sc2CCCCc12

BDBM69163

CC(C(=O)NCC1CCCO1)n1cc(cn1)[N+]([O-])=O

BDBM69164

CCOC(=O)c1cnc2ccccc2c1Nc1ccc(cc1)C(O)=O

BDBM69165

CCOC(=O)c1ccc(NC(=O)Nc2ccccn2)cc1

BDBM69166

Fc1ccc(CSc2nnc(o2)-c2cccnc2)cc1

BDBM69167

Cc1ccc(cc1)S(=O)(=O)NNC(=O)c1cccc(O)c1

BDBM69168

CN(C)CC(=O)N1c2ccccc2Sc2ccc(Cl)cc12

BDBM69169

CC(=O)NC(=S)Nc1ccccc1N1CCCCC1

BDBM69170

CC1(C)CC(=O)C(CO1)C1(O)C(=O)Nc2ccccc12

BDBM69171

COc1ccc(NC(=O)Nc2ccccn2)cc1OC

BDBM47311

Clc1ccc(CSc2nc(-c3cccs3)c(C#N)c(=O)[nH]2)cc1

BDBM69172

COc1ccc(NC(=S)Nc2cccc(Cl)c2Cl)cc1OC

BDBM55734

CC1=C(C#N)C(=O)NC(=O)C1=NNc1cccc(C)c1 |w:11.12,c:1|

BDBM69173

Fc1ccc(OCc2cc(no2)C(=O)N2CCCC(C2)c2ccccc2)c(F)c1

BDBM53944

COc1cccc(c1)-c1nc(SCC(=O)Nc2nc(c(C)s2)-c2ccccc2)[nH]c(=O)c1C#N

BDBM69174

Cc1cc(CNC(=O)c2cc(COc3c(F)cccc3F)on2)nn1C

BDBM69175

CCOC(=O)C1(Cc2cccc(F)c2)CCN(Cc2cn(CC)nc2C)CC1

BDBM69176

CN(Cc1nc2CCCCc2s1)C(=O)CCc1nnc(o1)-c1ccc2OCOc2c1

BDBM69177

OCC1(Cc2ccccc2)CCN(Cc2ccc(cc2)-c2ccco2)CC1

BDBM69178

Fc1cccc(CNC(=O)CCc2nnc(CCCCc3ccccc3)o2)c1

BDBM69179

CCCOC1CCCN(Cc2cn(C)nc2-c2ccccc2F)C1

BDBM69180

NS(=O)(=O)c1ccc(N2CCCCCC2)c(c1)[N+]([O-])=O

BDBM69181

CN(C)\N=N\c1ccc(cc1)S(N)(=O)=O

BDBM69182

[H]C12CCC([H])(C=C1)C1C2C(=O)N(N=Cc2ccc(o2)-c2ccc(Cl)c(c2)C(O)=O)C1=O |c:6,TLB:10:9:3.2:6.7,THB:30:8:3.2:6.7|

BDBM69183

CN(C)Cc1c(O)ccc2c(cc(=O)oc12)-c1ccccc1

BDBM69184

Fc1ccc(cc1)-c1nnc(SCc2cccnc2)o1

BDBM69185

OC(=O)CCn1cc(C=O)c(n1)-c1cccc2ccccc12

BDBM69186

CCOc1ccccc1N1CCN(CC1)S(=O)(=O)c1cc(C)ccc1OC

BDBM69187

OC(=O)\C=C\c1cccc2OCCOc12

BDBM69188

NC(=O)CN(c1ccc(cc1)[N+]([O-])=O)S(=O)(=O)c1ccccc1

BDBM69189

CCOC(=O)c1cnc2ccc(cc2c1Nc1ccc(cc1)C(O)=O)C(=O)OC

BDBM69190

[O-][N+](=O)c1ccccc1S(=O)(=O)N1CCc2ccccc2C1

BDBM50185083

NC(=O)c1c(NC(=O)c2ccncc2)sc2CCCCc12

BDBM63511

[O-][N+](=O)c1cccc(NC(=O)CCc2ccccc2)c1

BDBM35454

OC(=O)c1cc(nc2ccccc12)C1CC1

BDBM69191

NC(=O)c1ccc(N2CCCCCC2)c(c1)[N+]([O-])=O

BDBM69192

[O-][N+](=O)c1cc(Cl)ccc1N1CCCCC1

BDBM45625

Cc1cccc(c1)-n1c2n[nH]c(=S)n2c2sc3CCCc3c2c1=O

BDBM69193

COc1ccc(cc1)N1CC(CC1=O)C(=O)Nc1cc(C)ccn1

BDBM69194

Cn1c2ccccc2n(CCC(O)=O)c1=S

BDBM69195

O=C(CCC(=O)N(CC(=O)NCc1ccccc1)Cc1cccs1)Nc1ccccn1

BDBM69196

Cc1ccc(cc1)-c1n[nH]c(=S)n1N=Cc1ccncc1 |w:13.14|

BDBM59004

Oc1ccc(NC2=NC(=O)C(S2)=Cc2ccco2)cc1 |w:12.13,t:6|

BDBM69197

COc1ccccc1N(CC(=O)N1CCc2ccccc2C1)S(C)(=O)=O

BDBM69198

Cc1[nH][nH]c(=O)c1N=Nc1ccccc1C#N |w:7.7|

BDBM69199

Cc1ccnc(NC(=O)Cc2ccc(cc2)[N+]([O-])=O)c1

BDBM69200

CC1(C)CC(=O)C2C(Nc3ccccc3N=C2C1)c1cccs1 |c:16|

BDBM69201

OC1COC(C(O)C1O)n1ccc2ccc(cc12)[N+]([O-])=O

BDBM69202

COc1cccc(c1)N(CC(=O)NCC1CCCO1)C(=O)CCC(=O)Nc1nccs1

BDBM69203

C[N+](C)=c1ccn(CC(=O)N2c3ccccc3Sc3ccccc23)cc1 |(7.44,13.06,;6.14,12.3,;4.83,13.06,;6.14,10.79,;7.44,10.04,;7.44,8.53,;6.14,7.78,;6.14,6.27,;4.83,5.51,;3.52,6.27,;4.83,4,;3.52,3.25,;2.18,4.06,;.81,3.28,;.81,1.71,;2.18,.94,;3.52,1.74,;4.83,.99,;6.14,1.74,;7.49,.94,;8.85,1.71,;8.85,3.28,;7.49,4.06,;6.14,3.25,;4.83,8.53,;4.83,10.04,)|

BDBM69204

CN1CCN(CC1)c1ccc(cc1Cl)[N+]([O-])=O

BDBM69205

COc1ccc(CNC(=O)CN(Cc2cccs2)C(=O)CCC(=O)Nc2ccccn2)cc1

BDBM69206

Cc1cc2c(nc(oc2=O)-c2ccc(F)cc2)s1

BDBM69207

CCCCC(CC)C(=O)Nc1ncc(s1)[N+]([O-])=O

BDBM69208

COc1ccc2=NC(=O)C(NN3C(=O)c4ccccc4C3=O)=c2c1 |c:23,t:5|

BDBM69209

CCCCC(=O)Nc1cc(C)c(NC(=O)c2cccs2)cn1

BDBM69210

COc1ccc(CC(=O)Nc2ncc(s2)[N+]([O-])=O)cc1OC

BDBM57854

CCC(=NNC(=S)Nc1cccc(C)c1)c1ccccc1 |w:3.3|

BDBM53969

CCOc1ccc2nc(NC(=O)CSc3nc(-c4ccccc4)c(C#N)c(=O)[nH]3)sc2c1

BDBM69211

[H]C12CC([H])(C=C1)C1C2C(=O)N(CCCCCCN2C(=O)C3C(C2=O)C2([H])CC3([H])C=C2)C1=O |c:5,34,TLB:32:7:2:6.5,23:22:27:30.31,THB:19:21:27:30.31,9:8:2:6.5|

BDBM69212

Brc1ccc(C=NNC(=O)c2cccnc2)s1

BDBM69213

COc1ccc2nc(NC(=O)C3CCCO3)sc2c1

BDBM28908

CC(=O)Nc1cc(n[nH]1)-c1ccc(Cl)cc1

BDBM69215

Cc1ccc(CC(=O)Nc2ncc(s2)[N+]([O-])=O)cc1

BDBM69216

Cc1ccnc(NC(=O)CCC(=O)N(CC(=O)NCCc2ccccc2)Cc2cccs2)c1

BDBM49844

COc1ccc(Nc2nc3ccccc3s2)cc1

BDBM69217

COc1nc(nc(n1)N(CCOC(C)=O)C#N)N(C)C

BDBM69218

CCc1ccccc1-n1c(O)cc(N2CCc3ccccc23)c1O |(13.37,-.43,;11.96,.2,;11.8,1.73,;13.05,2.64,;12.89,4.17,;11.49,4.8,;10.24,3.89,;10.4,2.36,;9.15,1.46,;7.69,1.94,;7.21,3.4,;6.78,.69,;7.68,-.55,;7.2,-2.02,;8.1,-3.26,;7.2,-4.5,;5.75,-4.03,;4.41,-4.8,;3.08,-4.03,;3.08,-2.49,;4.41,-1.72,;5.75,-2.49,;9.15,-.08,;10.39,-.99,)|

BDBM54329

C(Nc1ncnc2scc(-c3cccs3)c12)c1ccccn1

BDBM69219

O=C(Cc1ccccc1)Nc1ccc(cc1)N1CCOCC1

BDBM69220

Cc1ccnc(NC(=O)CCC(=O)N(CC(=O)NCc2ccccc2)Cc2cccs2)c1

BDBM69221

COc1ccccc1-c1ccc(=O)n(CC(=O)NCc2ccco2)n1

BDBM69222

[O-][N+](=O)c1cc(Cl)ccc1N1CCCC1

BDBM69223

O=C(Nc1ccccc1)Nc1ccncc1

BDBM69224

CC1(C)CC(=O)C2C(c3cccs3)n3ncnc3N=C2C1 |c:20|

BDBM69225

CC(Cc1c[nH]c2ccccc12)NC(=O)OCCCl

BDBM69226

O=C(Nc1ccccn1)C(=O)Nc1ccccn1

BDBM69227

FC(F)(F)c1nnc(NC(=O)CSc2nc(-c3ccccc3)c(C#N)c(=O)[nH]2)s1

BDBM69228

Cc1ccc(N2CCN(CC2)C(=O)N2CCOCC2)c(C)c1

BDBM69229

CC1=C(C(C2C(=O)CC(C)(C)CC2=N1)c1ccsc1)C(=O)OCC1CCCO1 |c:13,t:1|

BDBM69230

COc1cc([CH+][N-]NC(=O)c2ccncc2)ccc1Oc1ccc(cn1)[N+]([O-])=O

BDBM45640

CN(C)c1ccc(cc1)C(=O)NN1C(=O)c2ccccc2C1=O

BDBM69231

[O-][N+](=O)c1ccccc1OCC(=O)NN=Cc1ccncc1

BDBM55770

[O-][N+](=O)c1cnc(NC(=O)CCc2ccccc2)s1

BDBM69232

CC(=O)N(\C=C/C=C/C=C1\Sc2ccccc2C1=O)c1ccccc1

BDBM69233

CN1CCN(CC1)c1cc(ccc1Cl)[N+]([O-])=O

BDBM69234

CCN1CCN(CC1)c1cc(C)c2cc(NC(=O)c3cccc(OC)c3)ccc2n1

BDBM69235

COc1cc([CH-]N=[OH+])ccc1Oc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O

BDBM69236

Cc1ccnc(NC(=O)c2cccc(c2C)[N+]([O-])=O)c1

BDBM69237

CCN1CCN(CC1)c1cc(C)c2cc(NC(=O)c3cc(OC)cc(OC)c3)ccc2n1

BDBM69238

FC(F)(F)COc1ccc(nn1)-n1ccnc1

BDBM69239

CC(=O)Oc1cccc(c1)N1C(=O)c2ccc(cc2C1=O)C(=O)Nc1cccnc1

BDBM69240

Cc1ccc2Oc3ccc(cc3C(=O)Nc2c1)[N+]([O-])=O

BDBM69241

CC(C(=O)Nc1nc2ccccc2s1)n1cc(cn1)[N+]([O-])=O

BDBM69242

CC(C)(C)c1ccc(C=Nn2cnnc2)cc1

BDBM69243

Cc1ccc(OCC(=O)NN=Cc2ccccc2)c(c1)[N+]([O-])=O

BDBM60655

Cc1ccc(C=NNC(=O)COc2ccc(C)cc2[N+]([O-])=O)cc1

BDBM69244

CCOc1ccc(C=c2c(=O)[nH]c3cc(=C)on3c2=N)cc1OC |w:7.6|

BDBM69245

Cc1ccc(OCCn2c3ncnc(N)c3[nH]c2=S)cc1

BDBM69246

OCCNC(=O)Nc1ccc2nsnc2c1

BDBM69247

CC(C)NC(=O)C(=O)NN=C(C)CC(=O)Nc1cc(C)ccn1 |w:9.8|

BDBM69248

O=C(NCCc1nnc2ccc(NCC3CCCO3)nn12)c1ccccc1

BDBM69249

O=C(CSc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1)NC1CCCCC1

BDBM69250

Cc1ccc(OCC(=O)N\[NH+]=C\c2ccc([O-])c(c2)[N+]([O-])=O)c(c1)[N+]([O-])=O

BDBM69251

CC(=O)N1CCc2c(C1)sc(NC(=O)CN1C(=O)c3ccccc3C1=O)c2C(N)=O

BDBM69252

CCOC(=O)CSc1ccc2nnc(CCNS(=O)(=O)c3ccccc3)n2n1

BDBM69253

COc1cccc(c1)C(=O)Nc1nc(cs1)-c1ccncc1

BDBM69254

COC(=O)c1ccc(CSc2ccc3nnc(-c4ccc(F)cc4)n3n2)o1

BDBM60162

O=C(Cn1cc(C(=O)C(=O)NCc2ccco2)c2ccccc12)N1CCCC1

BDBM69255

COc1ccc(Nc2nc3ccc(OC)cc3s2)cc1

BDBM69256

C(Sc1ccc2nnc(-c3ccccn3)n2n1)c1ccccc1

BDBM69257

Fc1ccc(CSc2ccc3nnc(-c4cccnc4)n3n2)cc1

BDBM63594

CCc1ccccc1NC(=O)CSc1nnc(o1)-c1ccncc1

BDBM69258

CC(=O)c1ccc(NC(=O)CN2C(=O)CCC2=O)cc1

BDBM69259

CCOC(=O)CNC(=O)CSc1ccc2nnc(-c3ccc(F)cc3)n2n1

BDBM69260

CC1CCCCN1c1ncnc(N)c1[N+]([O-])=O

BDBM69261

CCSc1ccc2nnc(-c3cccs3)n2n1

BDBM69262

Cc1ccc(CSc2ccc3nnc(-c4ccccn4)n3n2)cc1

BDBM69263

CSc1nnc2ccc(nn12)-c1cccs1

BDBM69264

O=C(CN1C(=O)CCC1=O)Nc1ccc(Cc2ccc(NC(=O)CN3C(=O)CCC3=O)cc2)cc1

BDBM69265

Cc1ccccc1CSc1ccc2nnc(-c3ccccn3)n2n1

BDBM47651

O=C(CSc1ccc2nnc(-c3cccs3)n2n1)N1CCCC1

BDBM69266

CCc1ccc(CN=Nc2ncnc3nc[nH]c23)cc1 |w:8.8|

BDBM69267

Cc1ccsc1CN=Nc1ncnc2nc[nH]c12 |w:8.9|

BDBM69268

C(N=Nc1ncnc2nc[nH]c12)c1cccs1 |w:2.2|

BDBM69269

Clc1ccc(CN=Nc2ncnc3nc[nH]c23)cc1 |w:7.7|

BDBM52682

Cc1ccc(CN=Nc2ncnc3nc[nH]c23)cc1 |w:7.7|

BDBM69270

CCN1CCc2c(C1)sc(NC(=O)CN1C(=O)c3ccccc3C1=O)c2C(N)=O

BDBM69271

CC(C)N1CCc2c(C1)sc(NC(=O)CCc1ccccc1)c2C(N)=O

BDBM69272

Cc1ccccc1CN=Nc1ncnc2nc[nH]c12 |w:9.10|

BDBM63599

OCCNc1nc2nonc2nc1NCCO

BDBM69273

COc1ccc(cc1)-c1csc(n1)N(CC1CCCO1)C(=O)c1ccccc1

BDBM69274

CC(C)Nc1nc(nc(-c2ccc(Cl)cc2)c1C#N)-c1ccncc1

BDBM69275

Cc1[nH]nc2N=C3CC(C)(C)CC(=O)C3C(c3cccs3)c12 |t:5|

BDBM69276

COc1cccc(CCNC(=O)c2ccc(cc2)C#N)c1

BDBM69277

CN1CCN(CC1)c1nc(nc(-c2ccccc2)c1C#N)-c1ccccc1

BDBM69278

CN1CCN(CCC2Oc3cc(ccc3NC2=O)[N+]([O-])=O)CC1

BDBM69279

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

BDBM69280

CC(N=O)c1ncc(cc1Cl)C(F)(F)F

BDBM69281

COC(=O)C(C(=O)OC)c1ccc(NC(=O)c2cccc(Cl)c2)cc1

BDBM69282

[O-][N+](=O)c1ccccc1Oc1ccc(Cl)c2cccnc12

BDBM69283

CCN1CCN(CC1)c1c(cnc2ccccc12)C(=O)c1ccc(OC)cc1

BDBM51849

COc1ccc(cc1)-n1nc2c(N)n[nH]c2cc1=O

BDBM69284

Clc1ccccc1NC(=O)N1CCSc2ccccc12

BDBM69285

CCOCCOC(=O)c1ccc(nc1)-n1cnc(C)n1

BDBM69286

CN(C)\C=C\C(=O)c1cnc(s1)-c1cccc(Cl)c1

BDBM32325

Clc1cccc(NC(=O)Nc2ccnc(n2)-c2cccnc2)c1

BDBM69287

[O-][N+](=O)c1cc([CH-]N=[OH+])ccc1Oc1ccccc1Cl

BDBM69288

O=C(NNC(=O)c1cc2cc3ccccc3nc2s1)C1CC1

BDBM69289

CC(C)(C)Sc1ccc([CH-]N=[OH+])cc1[N+]([O-])=O

BDBM69290

CCN1CCN(CC1)c1c(cnc2ccc(OC)cc12)C(=O)c1ccc(CC)cc1

BDBM69291

C[O+]=N[CH-]c1ccc(Oc2ccc(C)cc2)c(c1)[N+]([O-])=O |w:1.0|

BDBM69292

[O-][N+](=O)c1cc([CH-]N=[OH+])ccc1Oc1ccc(F)cc1

BDBM69293

CCOc1ccc2ncc(C(=O)c3ccc(OC)cc3)c(N3CCN(CC)CC3)c2c1

BDBM69294

[O-][N+](=O)c1cc([CH-]N=[OH+])ccc1Oc1cccc(Cl)c1

BDBM69295

C(CNCC1COc2ccccc2O1)Cc1ccccc1

BDBM69296

C[O+]=N[CH-]c1ccc(N2CCOCC2)c(c1)[N+]([O-])=O |w:1.0|

BDBM43469

O=C(Nc1ccncc1)Nc1ccncc1

BDBM46794

[O-][N+](=O)c1cnc(NC(=O)Cc2ccc(Cl)cc2)s1

BDBM61828

[O-][N+](=O)c1cnc(NC(=O)COc2ccc(Cl)cc2)s1

BDBM69297

CCCn1c(SCC(=O)N2CCCCC2)nnc1-c1ccccn1

BDBM69298

CCOc1cc(ccc1O)C1C2C(=O)CC(C)(C)CC2=Nc2n[nH]c(C)c12 |c:21|

BDBM69299

Cc1[nH]nc2N=C3CC(C)(C)CC(=O)C3C(c12)c1ccc(O)cc1 |t:5|

BDBM69300

C(CCc1ccccc1)CNCC1COc2ccccc2O1

BDBM69301

O=C(Nc1cccc(NC(=O)c2ccc3OCOc3c2)c1)c1ccccc1

BDBM69302

Cc1ccccc1CSc1nnc(o1)-c1ccncc1

BDBM69303

O=C(NN=Cc1ccco1)c1ccn[nH]1 |w:3.2|

BDBM69304

Cc1ccc(cc1)C(=O)COC(=O)c1ccc(O)cc1

BDBM69305

Cc1ccc2NC(=O)c3cc(ccc3Oc2c1)[N+]([O-])=O

BDBM69306

O=c1[nH]c(nc(-c2ccccc2)c1C#N)-c1ccncc1

BDBM69307

NS(=O)(=O)c1ccc(NC(=O)CN2C(=O)CCC2=O)cc1

BDBM69308

[O-][N+](=O)c1c([nH][nH+]c1-c1cn[nH]c1)-c1cn[n-]c1

BDBM69309

OC(=O)c1ccccc1Nc1ccnc(Cl)n1

BDBM69310

Clc1ccc(c(Cl)c1)-n1c(=O)[nH]c2ccccc2c1=O |(3.08,-3.17,;4.41,-2.4,;5.75,-3.17,;7.08,-2.4,;7.08,-.86,;5.75,-.09,;5.75,1.45,;4.41,-.86,;8.41,-.09,;8.41,1.45,;7.08,2.22,;9.75,2.22,;11.08,1.45,;12.46,2.27,;13.85,1.48,;13.85,-.12,;12.46,-.92,;11.08,-.09,;9.75,-.86,;9.75,-2.4,)|

BDBM69311

COc1cccc(c1)C1C2C(=O)CCCC2=Nc2[nH]n(-c3ccccc3)c(=O)c12 |c:17|

BDBM69312

CSc1nc2N=C3CC(C)(C)CC(=O)C3C(c3ccccc3)c2c(=O)[nH]1 |t:5|

BDBM69313

COc1cc(CN=Nc2nc(Nc3ccccc3)nc(n2)N2CCCCC2)ccc1OCC(O)=O |w:7.7|

BDBM69314

Cc1ccc(OCC(=O)N\[NH+]=C\c2ccc([O-])cc2)c(c1)[N+]([O-])=O

BDBM69315

CCCCCCCCCCCCC(=O)CCCCC(O)=O

BDBM69316

Oc1ccc(O)n1-c1ccc(cc1)C(=O)Nc1cccc2C(=O)NC(=O)c12

BDBM69317

COc1cc(OC)c2c(cc(=O)oc2c1)-c1ccccc1

BDBM69318

Oc1ccc(O)n1-c1cccc(c1)C(=O)Nc1cccc2C(=O)NC(=O)c12

BDBM69319

[#7]\[#6](-[#7])=[#7]\[#7]-[#6]-1=c2cc(Br)ccc2=[#7]-[#6]-1=O |c:5,13|

BDBM69320

CC(C)N1CCc2c(C1)sc(NC(=O)CN1C(=O)c3ccccc3C1=O)c2C(N)=O

BDBM53394

Oc1ccc(CN=Nc2ncnc3nc[nH]c23)cc1 |w:7.7|

BDBM69321

Fc1ccc(cc1)-c1nc([nH]c(=O)c1C#N)-c1ccccc1

BDBM69322

COc1ccc(NC(=O)c2ccc(s2)-c2ccc(OC)cc2)cc1

BDBM69323

OCCCCO[C@@H]1C[C@@H](C=C(O1)C(=O)N1CCN(Cc2ccccc2)CC1)c1ccc(cc1)C(F)(F)F |c:9|

BDBM69324

CCO[C@H]1OC(=C[C@@H](C)[C@@H]1CCCO)C(=O)N1CCN(Cc2ccccc2)CC1 |c:5|

BDBM69325

O=c1n(ncc2ccccc12)-c1nc2ccccc2[nH]1

BDBM69326

O=C(COC(=O)c1cc(=O)c2ccccc2o1)NC1CCCC1

BDBM69327

[O-][N+](=O)c1cccc(c1)-c1nn(CCC#N)cc1CN=O

BDBM69328

CCC1(CC)NC(=O)N(CC(=O)OCC(=O)Nc2sccc2C#N)C1=O

BDBM69329

Clc1ccc(cn1)C(=O)N1CCN(C\C=C\c2ccccc2)CC1

BDBM69330

COc1ccc2c(CC(=O)Nc3ncc(C)s3)coc2c1

BDBM69331

COc1ccc(cc1)-c1nn(CCC#N)cc1CN=O

BDBM69332

COc1ccc(cc1OC)-c1nn(CCC#N)cc1CN=O

BDBM69333

COc1cc(CN=Nc2ccccn2)ccc1OCC=C |w:6.5|

BDBM32329

CCN1\C(Sc2ccccc12)=C\C(\C)=C\c1sc2ccccc2[n+]1CC

BDBM69334

[O-][N+](=O)c1cc([CH-]N=[OH+])ccc1N1CCCC1

BDBM69335

COc1cc(NC(=O)COC(=O)CCc2cc(OC)c(OC)c(OC)c2)cc(OC)c1

BDBM69336

O=C1CN(CCN1)c1nc(nc2sc3CCCCc3c12)-c1cccnc1

BDBM69337

[O-][N+](=O)c1cc([CH+][N-]NC(=O)c2cccnc2)ccc1N1CCCC1

BDBM69338

CN(C)c1ccc(cc1)C1C2C(=O)CC(C)(C)CC2=Nc2n[nH]c(C)c12 |c:20|

BDBM69339

CC1Cc2ccccc2N1C(=O)COC(=O)c1cnc(C)cn1

BDBM69340

COc1cccc(c1)C1C2C(=O)CC(C)(C)CC2=Nc2n[nH]c(C)c12 |c:19|

BDBM69341

Cc1cccc(C)c1OP(C)(N)=O

BDBM56716

COc1ccc(Nc2nc(c(s2)C(=O)Nc2cccnc2)-c2ccccc2)cc1

BDBM69342

CC(=O)Nc1cccc(Nc2nc(nc3ccccc23)-c2ccccc2)c1

BDBM69343

C(CNc1nc(nc2ccccc12)-c1ccccc1)Cn1ccnc1

BDBM69344

C(CNc1nc(nc2ccccc12)-c1cccnc1)Cn1ccnc1

BDBM69345

CCc1nnc(NC(=O)c2ccc3c(c2)nc2CCCCCn2c3=O)s1

BDBM69346

CC(OC(=O)COc1ccccc1)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O

BDBM69347

COc1ccc(cc1OC)-c1nn(cc1\C=C\C(=O)N1CCOCC1)-c1ccccc1

BDBM69348

CCCCC(=O)Nc1nc2c(OC)cc(cc2s1)[N+]([O-])=O

BDBM69349

Cc1cc(NC(=O)COc2cccnc2[N+]([O-])=O)no1

BDBM32330

Cc1csc(n1)C(C#N)=C1C(=O)Nc2ccc(F)cc12 |w:9.20|

BDBM43752

Nc1ccccc1Nc1cc(n[nH]1)-c1ccccc1

BDBM47681

Fc1cccc(Nc2ncnc3n[nH]cc23)c1

BDBM69350

CCOc1ccc(CN=Nc2ccccn2)cc1OC |w:8.7|

BDBM69351

O=C(Nc1ncnc2sc3CCCCc3c12)c1ccncc1

BDBM69352

CN1CCN(CC1)\[NH+]=C1/C(=O)[N-]c2ccc(cc12)[N+]([O-])=O

BDBM69353

COc1ccc2nc(NC(=O)CCNC(=O)c3ccccc3Cl)sc2c1

BDBM69354

[O-][N+](=O)c1cnc(NC(=O)Nc2ccccc2)s1

BDBM69355

COc1ccc(cc1)-c1nn(cc1N)-c1ccccc1

BDBM69356

COc1cc(\C=C(/C#N)C(=O)c2c[nH]c3ccccc23)cc(OC)c1O

BDBM69357

CCOC(=O)C1CCN(CC1)c1cc(C)nc2ccc(OC)cc12

BDBM69358

[O-][N+](=O)c1cc(C=O)ccc1N1CCCC1

BDBM69359

COCCn1c(SCC(=O)Nc2ccccc2OC)nc2ccccc12

BDBM69360

COc1ccccc1NC(=O)C(C)Nc1ccc(C)c(Cl)c1

BDBM69361

COCCn1c(SCC(=O)Nc2ccc(Cl)cn2)nnc1-c1ccncc1

BDBM69362

Cc1ccc(C(=O)NN=C2CCCc3ccccc23)c(C)c1 |w:8.7|

BDBM69363

OC(=O)C(=Cc1c[nH]nc1-c1ccc(Br)cc1)C#N |w:4.4|

BDBM69364

OC(=O)COc1ccc(cc1)C(=O)c1ccccc1

BDBM69365

COc1ccc(C=c2sc(=CC(=O)C(C)(C)C)[nH]c2=O)cc1O

BDBM69366

CCN(CC)S(=O)(=O)c1ccc(O)c(c1)C(=O)OCC(=O)Nc1cc(C)c(C)cc1[N+]([O-])=O

BDBM60705

Oc1ccc(C=NNC(=O)COc2cccc3cccnc23)cc1 |w:6.6|

BDBM69367

OC(=O)c1ccc(CN=Nc2ccc(cn2)C(F)(F)F)cc1 |w:9.9|

BDBM69368

OC(=O)c1ccccc1Nc1ccc(OC(F)F)cc1

BDBM69369

COc1ccc(Nc2ccccc2C(O)=O)cc1

BDBM59018

Oc1ccc(CN=Nc2ccc(cn2)C(F)(F)F)cc1O |w:7.7|

BDBM69370

CN1CCC2C(C1)c1cc(C)ccc1N2C(=S)Nc1ccc(Cl)cc1Cl

BDBM69371

CC(C)(C)NC(=O)NC(=O)CSc1nncs1

BDBM69372

CN(C)S(=O)(=O)c1cc(NC(=O)CN2CCN(CC2)c2ccc(O)cc2)ccc1Cl

BDBM69373

CN(C)C(CNC(=O)c1ccc2ccccc2c1)c1ccco1

BDBM69374

Cc1[nH]nc2N=C3CCCC(=O)C3C(c3cccs3)c12 |t:5|

BDBM69375

C(Nc1nc(nc2ccccc12)-c1cccnc1)c1cccs1

BDBM69376

CC(C)CN(C(=O)CSc1nc2nc(C)cc(C)n2n1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O

BDBM69377

COCc1c(oc2ccccc12)C(=O)Nc1ccc(Cl)cc1F

BDBM69378

OC(=O)c1cn(CCC#N)nc1-c1cccc(c1)[N+]([O-])=O

BDBM69379

OC(=O)CCn1cc(CN=O)c(n1)-c1cccc(c1)[N+]([O-])=O

BDBM69380

O=S(=O)(\C=C\c1ccccc1)N1CCN(Cc2ccc3OCOc3c2)CC1

BDBM69381

CCOC(=O)C(=C\c1cn(CCC(O)=O)nc1-c1cccc(Cl)c1)\C#N

BDBM67622

COc1cc(CN=Nc2ccc(cn2)C(F)(F)F)ccc1O |w:7.7|

BDBM69382

Fc1ccccc1Cn1c2CCCCC[n+]2c2ccc(cc12)C(F)(F)F

BDBM69383

CN(CCC#N)C(=S)Nc1cccc(Cl)c1C

BDBM69384

CC(C)Nc1nnc(SCC(=O)NCc2ccc3OCOc3c2)s1

BDBM38158

O=C(NCCCN1CCN(Cc2ccccc2)CC1)C1CCN(CC1)S(=O)(=O)N1CCCC1

BDBM69385

CN(C1CCS(=O)(=O)C1)c1ncnc(N)c1[N+]([O-])=O

BDBM69386

Clc1ncccc1C(=O)Nc1cccc2C(=O)NC(=O)c12

BDBM69387

CN(C1CCS(=O)(=O)C1)C(=O)CSc1nnc(o1)-c1c[nH]c2ccccc12

BDBM69388

CN1CCc2c(C1)sc1c2c(=O)n(-c2ccccc2)c2nnc(SCc3ccccc3)n12

BDBM69389

CN1CCc2c(C1)sc1c2c(=O)n(-c2ccccc2)c2nnc(SCc3ccc(Cl)cc3)n12

BDBM30746

COc1ccc(Nc2nc(Nc3ccc(OC)cc3)nc(n2)-n2[nH]c(=O)c(C)c2C)cc1

BDBM69390

[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])ccc2-[#6](=O)-[#6]-[#6](-[#8]-c12)-c1ccc(-[#8])c(-[#8])c1

BDBM52759

COc1cc(ccc1O)-c1cc(=O)c2c(O)c(OC)c(OC)c(O)c2o1

BDBM68166

[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c2-[#8]-[#6](-[#6]-[#6](=O)-c2c1-[#8])-c1ccc(-[#8])cc1

BDBM69391

COc1ccc(cc1OC)C1C2C(=O)CCCC2=Nc2n[nH]c(C)c12 |c:19|

BDBM55854

O=C([N-]c1ccc[n+](c1)-c1nc2ccccc2nc1C(C#N)C#N)c1ccccc1

BDBM69392

Cc1ccc2nc(cn2c1)-c1ccc2OCC(=O)Nc2c1

BDBM69393

c1cc(c(cc1[C@@H]2CC(=O)c3c(cc(cc3O2)O)O)O)O

BDBM69394

COc1cc(cc(OC)c1OC)C1OCC2C1COC2c1cc(OC)c(OC)c(OC)c1

BDBM50241796

[#6]-[#8]-c1c(-[#6]\[#6]=[#6](\[#6])-[#6])cc(cc1-[#6]\[#6]=[#6](\[#6])-[#6])-[#6@@H]-1-[#6]-[#6](=O)-c2c(-[#8])cc(-[#8])cc2-[#8]-1 |r|

BDBM69395

COc1cc(\C=C2/Oc3cc(O)ccc3C2=O)ccc1O

BDBM69396

[O-][N+](=O)c1ccccc1C(=O)Nc1cccc2C(=O)NC(=O)c12

BDBM69397

Nc1ncnc(NC2CCS(=O)(=O)C2)c1[N+]([O-])=O

BDBM58016

[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc2-[#8]-[#6](-[#6]-[#6](=O)-c2c1-[#8])-c1ccc(-[#8])cc1

BDBM69398

C(Nc1nc(nc2ccccc12)-c1cccnc1)c1ccc2OCOc2c1

BDBM69399

OC(=O)\C=C\c1cn(nc1-c1cccc(c1)[N+]([O-])=O)-c1ccccc1

BDBM69400

Clc1cccc(Nc2nc(nc3ccccc23)-c2ccncc2)c1

BDBM69401

COc1ccccc1\C=C\C=C1/Oc2c(ccc(O)c2CN(C)C)C1=O

BDBM69402

CN(C)Cc1c2O\C(=C/C=C/c3ccccc3)C(=O)c2ccc1O

BDBM69403

Nc1nc(Nc2ccccc2)nc(NCc2ccccc2)c1[N+]([O-])=O

BDBM69404

COc1ccc(Nc2nc(NCCCN3CCOCC3)nc(N)c2[N+]([O-])=O)cc1

BDBM69405

CCCn1nc(NC(=O)c2cccs2)c2cc3cccc(C)c3nc12

BDBM69406

CC1(C)CC(CCNC(=O)CCl)(CCO1)c1ccccc1

BDBM69407

COc1cc(\C=N\NC(=O)c2ccccc2F)ccc1Oc1ccc(cn1)[N+]([O-])=O

BDBM61307

COc1cc(\C=N\NC(=O)c2ccc(Cl)cc2)ccc1Oc1ccc(cn1)[N+]([O-])=O

BDBM69408

COCCCNc1nc(N)c(c(NCC2CCCO2)n1)[N+]([O-])=O

BDBM69409

COc1ccc(OC)c(Nc2nc(NCCC(C)C)nc(N)c2[N+]([O-])=O)c1

BDBM69410

CCC(C)Nc1nc(N)c(c(NCCO)n1)[N+]([O-])=O

BDBM69411

COc1ccc(Nc2nc(N)c(c(NCc3ccccc3)n2)[N+]([O-])=O)cc1

BDBM69412

Nc1ncnc2c(C#N)c3CCCCCn3c12

BDBM69413

CC(C)Cn1nc(NC(=O)c2ccco2)c2cc3cc(C)ccc3nc12

BDBM69414

COc1cc(\C=N\NC(=O)c2cccc(Cl)c2)ccc1Oc1ccc(cn1)[N+]([O-])=O

BDBM69415

OCCN1CCN(Cc2c3O\C(=C/C=C/c4ccccc4)C(=O)c3ccc2O)CC1

BDBM69416

CCN(CC)Cc1c2O\C(=C/C=C/c3ccccc3)C(=O)c2ccc1O

BDBM69417

CC1CCCCN1c1nc(nc(C)c1[N+]([O-])=O)N1CCOCC1

BDBM52792

Cc1cc(CN=Nc2ccc(cn2)[N+]([O-])=O)c(C)n1-c1cccc(C(O)=O)c1C |w:5.4,(4.37,-2.82,;5.84,-2.35,;6.31,-.88,;7.85,-.88,;8.76,.36,;8.13,1.77,;9.04,3.02,;8.41,4.42,;9.31,5.67,;8.69,7.08,;7.16,7.24,;6.25,5.99,;6.88,4.58,;6.76,8.72,;7.85,9.81,;5.42,9.49,;8.33,-2.35,;9.79,-2.82,;7.08,-3.25,;7.08,-4.79,;8.41,-5.56,;8.41,-7.1,;7.08,-7.87,;5.75,-7.1,;4.41,-7.87,;4.41,-9.41,;3.08,-7.1,;5.75,-5.56,;4.41,-4.79,)|

BDBM69418

OC(=O)c1ccc(NNC2=c3ccc(Cl)cc3=NC2=O)cc1 |c:9,17|

BDBM69419

O=C1N=c2ccccc2=C1NN1CCOCC1 |c:9,t:2|

BDBM69420

COc1ccc(\C=C2\SC(NS(=O)(=O)Cc3ccccc3)=NC2=O)cc1OC |c:21|

BDBM69421

Nc1nc(NCC=C)nc(NCCO)c1[N+]([O-])=O

BDBM69422

O=C1N=C(NS(=O)(=O)Cc2ccccc2)S\C1=C\c1ccc2OCOc2c1 |t:2|

BDBM69423

COc1cccc(SCc2noc(C(=O)NCC=C)c2C(=O)NCC=C)c1

BDBM69424

Clc1ccc(C(=O)Cn2cc[n+](CC(=O)c3ccc(Cl)cc3Cl)c2)c(Cl)c1

BDBM69425

CCN1C(=O)\C(=N/NC(=O)C(O)c2ccccc2)c2ccccc12

BDBM69426

CC1CCN(CC1)c1cc(C)nc(n1)-c1ccccc1O

BDBM69427

O=C(NN=Cc1ccccn1)c1cccnc1

BDBM69428

O=C(C[n+]1ccc(C=Cc2ccccc2)cc1)c1ccc2OCCOc2c1 |w:7.6|

BDBM69429

Cc1ccc(cn1)C(=O)N\N=C\c1ccc(o1)-c1ccc(cc1)[N+]([O-])=O

BDBM69430

Cc1ccc(cn1)C(=O)NN=Cc1ccc(o1)-c1ccc(Cl)c(Cl)c1

BDBM64709

CC[n+]1c(\C=C\C=C\c2ccc(cc2)N(C)C)sc2ccccc12

BDBM69431

CCCC1=Nc2ncnn2C(C1C(=O)OCC)c1cccs1 |t:3|

BDBM69432

COCCCNc1nc(N)c(c(Nc2ccccc2OC)n1)[N+]([O-])=O

BDBM69433

CNc1nc(N)c(c(NCC2CCCO2)n1)[N+]([O-])=O

BDBM69434

Cc1cccc(Nc2nc(N)c(c(NCc3ccccc3)n2)[N+]([O-])=O)c1

BDBM69435

CCOCCCn1c2nc3c(C)cccn3c(=O)c2cc(C#N)c1=NC(C)=O |w:24.27|

BDBM69436

Cc1ccc(Nc2nc(N)c(c(NCc3ccccc3)n2)[N+]([O-])=O)cc1

BDBM69437

COCCCNc1nc(N)c(c(Nc2cc(OC)ccc2OC)n1)[N+]([O-])=O

BDBM69438

COc1ccccc1Nc1nc(NCC(C)C)nc(N)c1[N+]([O-])=O

BDBM69439

CCCn1nc(NC(=O)C2CCCO2)c2cc3cccc(C)c3nc12

BDBM69440

CCCn1nc(NC(=O)C2CCCO2)c2cc3ccc(C)cc3nc12

BDBM67628

N(c1ccccc1)c1ccnc(Nc2ccccc2)n1

BDBM69441

CN(C)c1nc(N)c(c(NCC2CCCO2)n1)[N+]([O-])=O

BDBM69442

Nc1nc(NCc2ccccc2)nc(NCCO)c1[N+]([O-])=O

BDBM69443

CCCC1=Nc2ncnn2C(C1C(=O)OCC)c1ccco1 |t:3|

BDBM69444

Fc1ccc(CCN2C(=O)NC(=O)C(=CNN3CCCCC3)C2=O)cc1 |w:14.14|

BDBM63800

N(c1cccc2ccccc12)c1nc(nc2ccccc12)-c1ccncc1

BDBM69445

CCn1nc(NC(=O)C2CCCO2)c2cc3cccc(C)c3nc12

BDBM69446

COc1ccc(OC)c(c1)-c1cc(nc(N)c1C#N)-c1cccnc1

BDBM69447

Clc1ccccc1CN1CCN(CC(=O)NN=Cc2ccccn2)CC1

BDBM69448

Cc1ccc(Nc2nc(N)c(c(NCCO)n2)[N+]([O-])=O)cc1

BDBM58072

CCC(C)Nc1nc(N)c(c(Nc2cc(OC)ccc2OC)n1)[N+]([O-])=O

BDBM69449

Nn1c(SCc2cccc(Br)c2)nnc1-c1ccncc1

BDBM43863

COc1ccc(OC)c(Nc2nc(NCCCN(C)C)nc(N)c2[N+]([O-])=O)c1

BDBM69450

CC(CC(=O)Nc1ccc2OCOc2c1)=NNC(=O)c1ccc(N)cc1 |w:15.17|

BDBM63808

COc1ccccc1Nc1nc(NCCCN(C)C)nc(N)c1[N+]([O-])=O

BDBM69451

Nc1nc(NCc2ccc(Cl)cc2)nc(NCCO)c1[N+]([O-])=O

BDBM69452

CCN(CC)CCCNc1nc(N)c(c(NCCO)n1)[N+]([O-])=O

BDBM69453

COc1ccccc1Nc1nc(NCc2ccco2)nc(N)c1[N+]([O-])=O

BDBM69454

Nc1nc(NCc2ccco2)nc(Nc2cccc(F)c2)c1[N+]([O-])=O

BDBM69455

Nc1nc(NCC2CCCO2)nc(Nc2cccc(F)c2)c1[N+]([O-])=O

BDBM58074

Nc1nc(Nc2cccc(Cl)c2)nc(NCc2ccco2)c1[N+]([O-])=O

BDBM58075

CCCc1cc(NCc2ccccn2)n2nc(C)c(-c3ccccc3)c2n1

BDBM69456

Nc1nc(NCCOCCO)nc(NCC2CCCO2)c1[N+]([O-])=O

BDBM69457

Cc1ccc(Nc2nc(nc3ccccc23)-c2ccncc2)cc1

BDBM69458

Nc1nc(NCCCN2CCOCC2)nc(NCc2ccccc2)c1[N+]([O-])=O

BDBM69459

Nc1nc(NCCCN2CCOCC2)nc(Nc2ccc(Cl)cc2)c1[N+]([O-])=O

BDBM69460

Cc1cccc(Nc2nc(NCc3ccco3)nc(N)c2[N+]([O-])=O)c1

BDBM69461

CN(C)CCCNc1nc(N)c(c(NCCO)n1)[N+]([O-])=O

BDBM69462

COc1ccccc1Nc1nc(NCCC(C)C)nc(N)c1[N+]([O-])=O

BDBM69463

Cc1cccc(Nc2nc(N)c(c(NCCO)n2)[N+]([O-])=O)c1

BDBM69464

Cc1nn(-c2ccccc2)c2n(-c3ccccc3F)c3nc(=O)n(C)c(=O)c3cc12 |(11.79,-4.22,;11.31,-2.75,;12.21,-1.51,;11.31,-.27,;12.45,.75,;13.92,.28,;15.06,1.3,;14.75,2.81,;13.28,3.29,;12.14,2.26,;9.85,-.74,;8.52,.03,;8.52,1.57,;9.85,2.34,;9.85,3.88,;8.52,4.65,;7.18,3.88,;7.18,2.34,;5.85,1.57,;7.18,-.74,;5.81,.08,;4.41,-.71,;3.08,.06,;4.41,-2.32,;3.08,-3.09,;5.81,-3.11,;5.82,-4.65,;7.18,-2.28,;8.52,-3.05,;9.85,-2.28,)|

BDBM69465

COc1ccc(Nc2nc(NCC3CCCO3)nc(N)c2[N+]([O-])=O)cc1

BDBM69466

CCN1CCN(CC1)c1nc(Nc2cc(OC)ccc2OC)nc(Nc2cc(OC)ccc2OC)n1

BDBM69467

CCCC1=Nc2ncnn2C(C1C(=O)OCC)c1sccc1C |t:3|

BDBM69468

Nc1nc(Nc2ccccc2F)nc(NCCO)c1[N+]([O-])=O

BDBM69469

Nc1nc(NCCCN2CCOCC2)nc(Nc2cccc(F)c2)c1[N+]([O-])=O

BDBM69470

COc1ccc(Nc2nc(NCc3ccco3)nc(N)c2[N+]([O-])=O)cc1

BDBM66010

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

BDBM69471

CC1CN(CC(C)O1)c1nc(Nc2ccccc2)nc(N)c1[N+]([O-])=O

BDBM69472

CC(C)N1C(=S)NC(=O)C(=CNCc2cccnc2)C1=O |w:10.10|

BDBM69473

CCCc1nc2n(C)c(=O)n(C)c(=O)c2[nH]1

BDBM69474

CCCNC(=O)c1ccc(Cl)cc1Cl

BDBM50106536

N[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)ncnc12

BDBM69475

COc1ccc(cc1)C(=O)NCC=C

BDBM69476

CSC(NC#N)=NCC=C |w:6.6|

BDBM69477

Nc1nc(NCCCN2CCOCC2)nc(Nc2cccc(Cl)c2)c1[N+]([O-])=O

BDBM69478

Cc1nc(Nc2ccccc2)sc1C(=O)Nc1ccccc1

BDBM69479

COC(=O)c1sc(=S)n(Cc2ccccc2)c1C

BDBM69480

Nc1nc(NCC2CCCO2)nc(Nc2cccc(Cl)c2)c1[N+]([O-])=O

BDBM69481

Nc1nc(NCCCN2CCOCC2)nc(Nc2ccccc2F)c1[N+]([O-])=O

BDBM63824

Nc1nc(NCc2ccco2)nc(NC2CCCCC2)c1[N+]([O-])=O

BDBM69482

O=C(NN=Cc1ccc2nccnc2c1)c1ccncc1

BDBM69483

CC(=O)Nc1ccc(Cc2nc3n(C)c(=O)n(C)c(=O)c3[nH]2)cc1

BDBM19459

c1cc(ccc1C2=COc3cc(cc(c3C2=O)O)O)O

BDBM69484

O=C1N=C(Nc2ccccc2)SC1=Cc1cccnc1 |w:13.15,t:2|

BDBM69485

CCn1nc(NC(=O)Cc2ccc(OC)cc2)c2cc3cc(C)ccc3nc12

BDBM69486

[O-][N+](=O)c1ccccc1OCC(=O)N\[NH+]=C\c1ccc[n-]1

BDBM52844

NS(=O)(=O)c1ccc(cc1)N=Nc1c[nH]c(=O)c(O)c1 |w:10.10|

BDBM69487

CCCn1nc(NC(=O)c2cccs2)c2cc3ccc(C)cc3nc12

BDBM69488

CC(C)Cn1nc(NC(=O)c2cccs2)c2cc3ccccc3nc12

BDBM69489

COc1ccc2nc(Cl)cc(Cl)c2c1

BDBM69490

Fc1ccc(CSc2nnc(o2)-c2ccco2)cc1

BDBM59030

CCCn1cnc2cccc3cccc1c23

BDBM69491

[H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C(=O)c1sc(NC(C)C)nc1N |TLB:8:6:12:1.11.2,8:1:12:6.9.5,THB:2:1:9:3.12.5|

BDBM66634

NC(=S)c1cn(C2OC(CO)C(O)C2O)c2ncnc(N)c12

BDBM50654

Nc1nc2n(cnc2c(=S)[nH]1)C1OC(CO)C(O)C1O

BDBM69492

COc1cc(CNC=C2C(=O)NC(=O)N(C2=O)C(C)(C)C)cc(OC)c1 |w:7.6|

BDBM69493

Cc1ccccc1CSc1nnc(o1)[C@@H]1CCCN1

BDBM69494

Cc1ccc(CNc2nc(N)c(c(NCCO)n2)[N+]([O-])=O)cc1

BDBM69495

CCOc1ccc(Nc2nc(N)c(c(NCc3ccccc3)n2)[N+]([O-])=O)cc1

BDBM69496

Nc1nc(NCCN2CCOCC2)nc(NCc2ccccc2)c1[N+]([O-])=O

BDBM69497

COc1ccc(Nc2nc(N)c(c(n2)N2CCOCC2)[N+]([O-])=O)cc1

BDBM69498

Nc1nc(NCc2ccco2)nc(NCCO)c1[N+]([O-])=O

BDBM69499

Oc1ccc(\C=C2/SC(=NC2=O)N2CCc3ccccc3C2)cc1 |c:8|

BDBM69500

O=C(NNC(=O)c1ccc(=O)oc1)C1[C@H]2CCCC[C@@H]12

BDBM69501

CCCCc1c(O)nc(SCC(=O)c2ccccc2)n(-c2ccccc2OC)c1=O |(3.08,5.78,;3.08,4.24,;4.41,3.47,;4.41,1.93,;5.75,1.16,;7.08,1.93,;7.08,3.47,;8.41,1.16,;8.41,-.39,;9.75,-1.16,;11.08,-.39,;12.42,-1.16,;12.42,-2.7,;13.75,-.39,;15.08,-1.16,;16.42,-.39,;16.42,1.16,;15.08,1.93,;13.75,1.16,;7.08,-1.16,;7.08,-2.7,;8.41,-3.47,;8.41,-5.01,;7.08,-5.78,;5.75,-5.01,;5.75,-3.47,;4.41,-2.7,;3.08,-3.47,;5.75,-.39,;4.41,-1.16,)|

BDBM69502

COc1ccc(C(C)=NNC(=O)CNC(=O)Cc2ccccc2)c(OC)c1 |w:8.8|

BDBM69503

COc1ccc(OC)c(C=NNC(=O)CCc2c(C)n[nH]c2C)c1

BDBM69504

CC(C)CCNc1nc(N)c(c(NCCO)n1)[N+]([O-])=O

BDBM69505

Nc1nc(Nc2ccccc2)nc(NCCO)c1[N+]([O-])=O

BDBM69506

CCC(C)Nc1nc(N)c(c(Nc2ccccc2OC)n1)[N+]([O-])=O

BDBM50194826

Nc1nc2CCCc2c(-c2ccc(F)cc2)c1C#N

BDBM69507

[H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C(=O)c1sc(NCC)nc1N |TLB:8:1:12:6.9.5,8:6:12:1.11.2,THB:5:6:11:3.12.2|

BDBM69508

CC(=O)Nc1nnc(CSCc2ccc(F)cc2)s1

BDBM69509

COc1ccc(cc1)-c1cc(nc(SCCC(=O)N2CCOCC2)n1)C(F)(F)F

BDBM69510

CSc1nc(NCCCO)c2c3CCN(C)Cc3sc2n1

BDBM69511

CC(C)CCn1c(CN2CCN(CC2)c2cccc(Cl)c2)nc2n(C)c(=O)n(C)c(=O)c12

BDBM69512

NC(=O)COC(=O)c1ccc(cc1)-c1ccc(O)cc1

BDBM69513

COc1ccc(cc1)-c1nn(CCC(O)=O)cc1C=NNC(N)=S |w:19.21|

BDBM69514

NS(=O)(=O)c1cc(ccc1Cl)C(=O)NNC1=c2ccccc2=NC1=O |c:16,23|

BDBM69515

COc1cc(\C=C\C)ccc1OCC(O)=O

BDBM69516

NC(=S)NN=Cc1cn(CCC(O)=O)nc1-c1cccc(Br)c1 |w:4.3|

BDBM69517

COc1cc(\C=C\c2nc3ccc(cc3s2)[N+]([O-])=O)ccc1OCC(O)=O

BDBM63853

Oc1ccccc1CN=Nc1nnn[nH]1 |w:8.8|

BDBM69518

CCN(CC)S(=O)(=O)c1cccc(c1)-n1cc(O)c(c1N)-c1ccccc1

BDBM69519

OC1CS(=O)(=O)CC1N[NH+]=C1C(=O)[N-]c2ccc(cc12)[N+]([O-])=O |w:9.9|

BDBM69520

S=c1[nH]c(cn1N=Cc1ccncc1)-c1ccccc1 |w:6.6|

BDBM69521

Cc1c([N+]([O-])=O)c2ccc(O)cc2n1-c1ccccc1

BDBM69522

Nc1c(C#N)c2nc3ccccc3nc2n1-c1cccc(O)c1

BDBM54390

Cc1c([N+]([O-])=O)c2ccc(O)cc2n1-c1ccc(C)cc1

BDBM59033

Cc1ccc(cc1)-n1c2n[nH]c(=S)n2c2sc3CCCc3c2c1=O

BDBM69523

Nc1nc(Nc2cccc(F)c2)nc(NCCO)c1[N+]([O-])=O

BDBM60807

COc1ccc(cc1)-n1c2n[nH]c(=S)n2c2sc3CCCc3c2c1=O

BDBM69524

[#6]-[#7](-[#6]-[#6]-[#8])S(=O)(=O)c1ccc2-c3ccc(cc3\[#6](=[#7]/[#7]-[#6](-[#7])=O)-c2c1)S(=O)(=O)[#7](-[#6])-[#6]-[#6]-[#8]

BDBM69525

CNc1nc(N)c(c(Nc2cccc(Cl)c2)n1)[N+]([O-])=O

BDBM55898

Nc1nc(NCc2ccco2)nc(Nc2ccccc2)c1[N+]([O-])=O

BDBM67634

COc1cc(C=C2SC(Nc3ccc(O)cc3)=NC2=O)ccc1O |w:5.4,c:17|

BDBM69526

COc1cc(C=C2SC(Nc3ccc(O)cc3)=NC2=O)cc(OC)c1OC |w:5.4,c:17|

BDBM69527

Nc1nc(NCC2CCCO2)nc(Nc2ccccc2F)c1[N+]([O-])=O

BDBM54395

[O-][N+](=O)c1cnc(NC(=O)Cc2ccc(Br)cc2)s1

BDBM69528

Nc1nc(NCC2CCCO2)nc(Nc2ccc(Cl)cc2)c1[N+]([O-])=O

BDBM69529

Nc1nc(Nc2cccc(Cl)c2)nc(NCCO)c1[N+]([O-])=O

BDBM69530

c1ccc(cc1)C(=O)c2c(nc(s2)Nc3ccccc3)N

BDBM69531

Cc1ccc(Nc2nc(N)c(c(NCCO)n2)[N+]([O-])=O)cc1C

BDBM69532

COc1ccccc1Nc1nc(NCCO)nc(N)c1[N+]([O-])=O

BDBM69533

Nc1nc(Nc2ccc(Cl)cc2)nc(NCCO)c1[N+]([O-])=O

BDBM69534

COc1ccc(Nc2nc(N)c(c(NCCO)n2)[N+]([O-])=O)cc1

BDBM69535

OC(=O)CCn1cc(C(O)=O)c(n1)-c1ccccc1

BDBM69536

COc1ccc(cc1OC)-c1nn(cc1CN=Nc1ccc(Cl)c(c1)C(O)=O)-c1ccccc1 |w:16.17|

BDBM69537

Clc1ccc(C(=O)CSc2n[nH]c(=O)[nH]c2=O)c(Cl)c1

BDBM69538

COC1=CC(=O)CC(C)C11Oc2cc(OC)cc(OC)c2C1=O |t:2|

BDBM69539

COc1ccc(OC)c(Nc2nc(N)c(c(NCc3ccccc3)n2)[N+]([O-])=O)c1

BDBM54138

OC(=O)c1ccc(cc1)-c1ccc(CN=Nc2ccc(cc2)[N+]([O-])=O)o1 |w:15.16|

BDBM69540

OC(=O)c1ccc(cc1)N=NCc1ccc(o1)-c1cccc(Cl)c1 |w:9.9|

BDBM69541

Nc1nc(Nc2cccc(F)c2)nc(N2CCOCC2)c1[N+]([O-])=O

BDBM69542

COc1ccc(OC)c(Nc2nc(NCc3ccco3)nc(N)c2[N+]([O-])=O)c1

BDBM69543

CCCn1nc(NC(=O)c2cccs2)c2cc3cc(C)ccc3nc12

BDBM69544

CSc1nc(SCC(=O)NCC2CCCO2)c2c3CCN(C)Cc3sc2n1

BDBM50725

OC(=O)c1cc(ccc1Cl)-c1ccc(C=NNC(=O)c2cc3c(ccc4ccccc34)o2)o1 |w:15.16|

BDBM46809

OC(=O)c1cccc(c1)-c1ccc(CN=Nc2ccc(cc2)[N+]([O-])=O)o1 |w:15.16|

BDBM59041

CC(C)C1Cc2c(CO1)sc1c2c(=O)n(-c2ccccc2)c2n[nH]c(=S)n12

BDBM69545

N(c1ccccc1)c1ncnc2n[nH]cc12

BDBM69546

CN1C(N)=NC(=O)C1=Cc1ccc(F)cc1 |w:8.9,c:3|

BDBM60826

O=c1n(-c2ccccc2)c2n[nH]c(=S)n2c2sc3CCCc3c12

BDBM69547

O=S1(=O)CC2SC(=S)N(C2C1)c1ccccc1

BDBM69548

Nc1nnc(CC(=O)NN=Cc2ccccc2OCc2ccc(F)cc2)s1

BDBM69549

COc1ccc(cc1)-c1cc([nH]c(=O)c1C#N)-c1ccco1

BDBM69550

CC(C)CC(=O)Nc1ncc(s1)[N+]([O-])=O

BDBM69551

Cc1cnc(NC(=O)c2sc(Nc3ccccc3)nc2N)o1

BDBM69552

CCc1cc(C(=O)c2ccc(OC)cc2)c(NC(=O)CN2CCN(C)CC2)s1

BDBM69553

NC(=O)C1CCN(CC1)C(=O)c1ccc(Oc2cc(Cl)cc(Cl)c2)o1

BDBM69554

Cc1nccc(n1)-c1cccc(NC(=O)c2ccccc2Cl)c1

BDBM66653

[#6]-[#8]-c1cccc(c1)-[#6](=O)-[#6](\C#N)=[#6](/[#16]-[#6])-[#16]-[#6]

BDBM52926

Cc1ncc(C=C2C(=O)Nc3ccccc23)[nH]1 |w:5.4|

BDBM69555

Cc1nc(Nc2ccccc2)sc1C(=O)c1ccccc1

BDBM69556

Clc1ccccc1CN1CCN(CC1)c1cccc2[nH]ccc12

BDBM69557

COc1ccccc1NC(=S)NC1CCCCCCCCCCC1

BDBM69558

Cc1cc(N2CCN(CC2)C(=O)c2ccco2)c2ccccc2n1

BDBM69559

Clc1ccc(cc1)S(=O)(=O)NCCC1CC1(Cl)Cl

BDBM69560

O=C(OCCCCOC(=O)c1ccccc1)c1ccccc1

BDBM69561

CC(C)(C)NC1=NN=C(CS1)c1ccc(Cl)cc1 |c:7,t:5|

BDBM69562

CSc1nnnn1-c1c(C)cccc1C |(9.6,2.58,;8.46,1.55,;6.99,2.03,;6.52,3.49,;4.98,3.49,;4.5,2.03,;5.75,1.13,;5.75,-.41,;4.41,-1.18,;3.08,-.41,;4.41,-2.72,;5.75,-3.49,;7.08,-2.72,;7.08,-1.18,;8.41,-.41,)|

BDBM69563

Cc1nc(c(s1)C(=O)Sc1ccccc1)C(F)(F)F

BDBM69564

O[N-]C(=[NH2+])c1ccc(Oc2ccccc2Cl)c(c1)[N+]([O-])=O

BDBM69565

Cc1ccc(cc1)-c1nn(cc1C=Nn1c(n[nH]c1=S)-c1ccncc1)-c1ccccc1 |w:13.15|

BDBM50319700

OC(=O)CSCC(=O)NCc1c(Cl)cccc1Oc1ccccc1

BDBM69566

OC(=O)COCC(=O)N1CCN(CC1)C(c1ccccc1)c1ccccc1

BDBM69567

CC(=O)Nc1ccc(cc1Cl)S(=O)(=O)Nc1ccc2OCCOc2c1

BDBM69568

ONC(=N)Cc1nc2ccccc2s1

BDBM69569

CCCc1c(NC(=O)Nc2ccc(F)cc2)cnn1-c1ccccc1

BDBM69570

Cc1ccc(NC(=O)Nc2cc(nn2C)-c2ccccc2)cc1Cl

BDBM69571

CC(C)CCSc1nnc(N)s1

BDBM69572

FC(F)(F)c1ccc(cc1)\N=N\c1ccc2N(CCC#N)CCCc2c1

BDBM69573

Cn1nc2c(nc1=S)n(Cc1ccc(F)cc1)c1ccccc21

BDBM69574

C(N=Nc1nccc(n1)-c1cccnc1)c1ccccc1 |w:2.2|

BDBM69575

COc1cccc(Nc2ncc(C#N)c(N)n2)c1

BDBM69576

COC(=O)C(C(C)=NC)C(=O)c1ccc(Cl)cc1Cl |w:7.7|

BDBM69577

O=C(Nc1cc(n[nH]1)-c1ccccc1)c1ccccc1

BDBM69578

Cc1ccc2cc(NC(=O)c3cccc(F)c3)ccc2n1

BDBM69579

Cc1csc2c1[nH]c(=O)n(CCO)c2=O

BDBM69580

Fc1ccc(cc1)S(=O)(=O)CCSc1n[nH]c(=O)n1-c1ccc2OCCOc2c1

BDBM69581

Cc1ccc(cc1)S(=O)(=O)CCSc1n[nH]c(=O)n1-c1ccc2OCCOc2c1

BDBM69582

CSc1nc(-c2cccs2)c(C#N)c(=O)[nH]1

BDBM58241

Cc1ccc(cc1)-c1nn(cc1C=Nn1c(n[nH]c1=S)-c1cccs1)-c1ccccc1 |w:13.15|

BDBM69583

Cc1csc(NC(=O)CN2C(=O)c3ccccc3C2=O)c1C(N)=O

BDBM69584

NC(=NNC(=O)c1ccc(Cl)cc1)c1cnccn1 |w:2.2|

BDBM54150

Brc1ccc(cc1)C(=O)CSc1nc(-c2cccs2)c(C#N)c(=O)[nH]1

BDBM69585

OC(=O)\C=C\C(=O)NCC1CCC(CNC(=O)\C=C\C(O)=O)CC1 |(12.42,10.01,;12.42,8.47,;13.75,7.7,;11.08,7.7,;11.08,6.16,;9.75,5.39,;8.41,6.16,;9.75,3.85,;8.41,3.08,;8.41,1.54,;7.08,.77,;7.08,-.77,;8.41,-1.54,;8.41,-3.08,;7.08,-3.85,;7.08,-5.39,;8.41,-6.16,;5.75,-6.16,;5.75,-7.7,;4.41,-8.47,;4.41,-10.01,;3.08,-7.7,;9.75,-.77,;9.75,.77,)|

BDBM63909

OCCCNc1nccc(n1)-c1cc(Nc2cccc(Cl)c2)ncn1

BDBM69586

CC(C)[C@H](CO)Nc1nc(NCc2ccc(cc2)S(N)(=O)=O)c2ncn(C(C)C)c2n1

BDBM65549

OCCCNc1cc(ccn1)-c1ccnc(Nc2cccc(Cl)c2)n1

BDBM50113745

CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(NCCCO)nc12

BDBM69587

CCC(C)Oc1cc(ccn1)-c1ccnc(Nc2cccc(Cl)c2)n1

BDBM69588

CN(C)CCCNc1ccc(cn1)-c1cc(Nc2cccc(Cl)c2)ncn1

BDBM69589

Oc1ccc(NC(=O)c2cccc(Cl)c2)c2oc(cc(=O)c12)-c1ccccc1Cl

BDBM69590

Oc1ccc(NC(=O)c2ccc(Cl)cc2Cl)c2oc(cc(=O)c12)-c1ccccc1Cl

BDBM53407

COc1ccccc1-c1cc(=O)c2c(O)ccc([N+]([O-])=O)c2o1

BDBM69591

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

BDBM69592

Cc1ccccc1C(=O)Nc1ccc(O)c2c1oc(cc2=O)-c1ccccc1Cl

BDBM69593

CCc1ccc(cc1)S(=O)(=O)Nc1ccc(O)c2c1oc(cc2=O)-c1ccccc1Cl

BDBM69594

Oc1ccc(NS(=O)(=O)c2ccccc2C(F)(F)F)c2oc(cc(=O)c12)-c1ccccc1Cl

BDBM69595

Oc1ccc(NS(=O)(=O)c2cccs2)c2oc(cc(=O)c12)-c1ccccc1Cl

BDBM69596

Oc1ccc(NC(=O)c2ccccc2Cl)c2oc(cc(=O)c12)-c1ccccc1Cl

BDBM69597

Cc1cccc(c1)C(=O)Nc1ccc(O)c2c1oc(cc2=O)-c1ccccc1Cl

BDBM69598

Oc1ccc(NC(=O)c2cccs2)c2oc(cc(=O)c12)-c1ccccc1Cl

BDBM50199021

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

BDBM69599

CCN1[C@H](C)[C@@H]([C@@H](NC1=O)c1ccccc1)C(=O)OC

BDBM69600

COCCN1[C@H](C)[C@H]([C@@H](NC1=O)c1cccc(c1)C(F)(F)F)C(C)=O

BDBM69601

COC(=O)C1=C(C)N(CCc2cc(OC)c(OC)c(OC)c2)C(=O)N[C@H]1c1ccccc1 |c:4|

BDBM69602

COc1cccc(OC)c1OCCNCC1COc2ccccc2O1

BDBM69603

COC(=O)C1=C(C)N(CCCC(O)=O)C(=O)NC1c1ccc(cc1)[N+]([O-])=O |c:4|

BDBM69604

[H][C@]12CCc3c(C(=O)CC)c(CC)c(CCC1)n23

BDBM69605

[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc2c(oc3cc(-[#8])ccc3c2=O)c1-[#8]

BDBM69606

[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc(-[#8])c2c1oc1ccc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c1c2=O

BDBM69607

[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc2-[#8]-[#6](-[#6]-[#6](=O)-c2c1-[#8])-c1ccccc1

BDBM19460

[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc(-[#8])c2-[#6](=O)-[#6]-[#6@H](-[#8]-c12)-c1ccc(-[#8])cc1 |r|

BDBM69608

[#6]-[#8]-c1c(-[#6]\[#6]=[#6](\[#6])-[#6])cc(-[#6]-2-[#6]-[#6](=O)-c3c(-[#8])cc(-[#8])cc3-[#8]-2)c(-[#6]\[#6]=[#6](\[#6])-[#6])c1-[#8]

BDBM50228333

c1cc(ccc1[C@@H]2CC(=O)c3ccc(cc3O2)O)O

BDBM69609

[#6]\[#6](-[#6])=[#6]\[#6]-c1cc(ccc1-[#8])-[#6@@H]-1-[#6]-[#6](=O)-c2ccc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c2-[#8]-1

BDBM69610

[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])ccc(-[#6]-2-[#6]-[#8]-c3c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])cc(-[#8])c3-[#6]-2=O)c1-[#8]

BDBM69611

[#6]-[#8]-c1ccc(-[#6]-2-[#6]-[#6](=O)-c3c(-[#8])cc(-[#8])cc3-[#8]-2)c(-[#6]\[#6]=[#6](\[#6])-[#6])c1-[#8]-[#6]

BDBM50106188

COc1cccc(c1)C(=O)N

BDBM50144936

c1nc(c2c(n1)n(cn2)[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N

BDBM50118807

Nc1nc(F)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O

BDBM50000298

Nc1ncnc2n(ccc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|

BDBM69612

CCOc1ccccc1Nc1cc(C)nc2ccc(C)cc12

BDBM69613

CC(=O)Nc1c(nc2ccc(Cl)cn12)-c1ccccc1

BDBM69614

CC1(C)CC(=O)C=C(C1)Nc1cccc(c1)C(F)(F)F |c:6|

BDBM69615

OC(=O)c1ccccc1NCc1cccnc1

BDBM50104891

Oc1ccc2c(cc(=O)oc2c1)-c1ccccc1

BDBM69616

CC1(C)CC(=O)C=C(C1)Nc1cccc(Cl)c1Cl |c:6|

BDBM69617

OC(COc1ccc(OCC(O)CN2CCN(Cc3ccccc3)CC2)cc1)CN1CCN(Cc2ccccc2)CC1

BDBM69618

COC(=O)c1ccccc1Nc1ccnc(Cl)n1

BDBM69619

Clc1ccc2nc(NC(=O)C3CC3)sc2c1

BDBM69620

Oc1ccc2occ(C(=O)c3ccc(Br)cc3)c2c1

BDBM69621

Fc1cnc(Cl)nc1Oc1ccc(C=O)cc1

BDBM69622

Clc1ccc2CCc3ccccc3Nc2c1

BDBM69623

COc1ccc2Nc3ccc(Cl)cc3NC(=O)c2c1

BDBM69624

CCN(CC)CCOC(=O)c1ccc(NC(=S)NC(=O)C=Cc2ccco2)cc1 |w:20.19|

BDBM69625

Clc1nccc(NCc2ccccc2)n1

BDBM69626

CC(=O)Oc1ccc2occ(C(=O)c3ccccc3)c2c1

BDBM69627

COc1cc(ccc1OCCC(C)C)C1C(C(=O)c2cccs2)C(=O)C(=O)N1CCN1CCOCC1

BDBM69628

Cc1cc(OCCCn2ccnc2)ccc1[N+]([O-])=O

BDBM69629

CN1C(=S)N(C)\C(=C/c2ccc(OCc3cccc(C)c3)cc2)C1=O

BDBM52014

CCc1n[nH]c(=S)n1N=CC(C)=Cc1ccccc1 |w:8.8,12.13|

BDBM69630

COc1ccc(cc1[N+]([O-])=O)-c1nn(cc1C=O)-c1ccccc1

BDBM69631

COc1cccc(c1)C(=O)NCCCNC(=O)c1cccc(OC)c1

BDBM69632

CC(C)c1ccc(OCC(O)CNC(C)c2ccccc2)cc1C

BDBM69633

CC1=C(C#N)C(=O)NC(=O)C1=CNc1ccc(cc1)S(=O)(=O)CCO |w:11.12,c:1|

BDBM69634

CN(C)S(=O)(=O)c1ccc(NC=C2C(=O)NC(=O)C(C#N)=C2C)cc1 |w:11.10,c:20|

BDBM53035

Cc1[nH][nH]c(=O)c1N=Nc1ccc(cc1)S(N)(=O)=O |w:8.9|

BDBM69635

Fc1ccc(cc1)-c1nn(cc1C=O)-c1ccccc1

BDBM69636

CC(C)(C)c1csc(NC(=O)c2cccnc2)n1

BDBM69637

CC1CN(CC(C)O1)C(=O)CCCN1C(=O)c2ccccc2C1=O

BDBM69638

COc1cccc2cc(C(=O)OCc3ccccc3)c(=O)oc12

BDBM69639

COc1ccc(cc1)C(=O)c1sc(Nc2ccccc2)nc1N

BDBM69640

COc1cccc2cc(C(=O)Oc3ccccc3)c(=O)oc12

BDBM69641

O=Cc1cn(nc1-c1ccccc1)-c1ccccc1

BDBM69642

COc1ccc(CCNc2nc(cs2)-c2ccc(O)cc2)cc1OC

BDBM69643

COc1ccc(C=C2SC(Nc3ccccc3OC)=NC2=O)cc1 |w:6.5,c:19|

BDBM69644

O=C1N=C(Nc2ccccc2)SC1=Cc1ccccc1 |w:13.15,t:2|

BDBM69645

Oc1ccc(cc1)C(=O)OCCN1CCOCC1

BDBM66701

CC(c1ccccc1)n1c(CCCO)nc2ccccc12

BDBM69646

CC1(C)CC(=O)C2C(Nc3ccccc3N=C2C1)c1ccc(F)cc1 |c:16|

BDBM69647

COc1cccc(c1)C(=O)Nc1nc2ccccc2s1

BDBM69648

CC1CCN(CCC(=O)Nc2ccc(Br)c(C)c2)CC1

BDBM69649

Cc1ccc(cc1)C(=O)Nc1ncc(s1)[N+]([O-])=O

BDBM69650

C(NCC1COc2ccccc2O1)C1COc2ccccc2O1

BDBM69651

CN1CCN(CC1)C(=O)c1ccc(OCCOc2ccccc2)cc1

BDBM69652

COc1cccc(c1)C1Nc2ccccc2N=C2CC(C)(C)CC(=O)C12 |t:18|

BDBM69653

N(c1ccccc1)c1nc(nc2ccccc12)-c1ccccc1

BDBM69654

CCOc1cc(ccc1O)C1Nc2ccccc2N=C2CC(C)(C)CC(=O)C12 |t:20|

BDBM69655

O=C(Nc1ccccn1)c1ccc(cc1)C(=O)Nc1ccccn1

BDBM69656

Oc1ccc(\C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1

BDBM69657

Cc1ccc(cc1)C(=O)\C=C\c1ccc2ncccc2c1

BDBM69658

Fc1ccc(CSc2nnc(o2)-c2ccccn2)cc1

BDBM69659

COc1ccccc1N1CCN(CC1)\N=C\c1ccc(Cl)c(c1)[N+]([O-])=O

BDBM69660

COc1ccc(OC)c(NCc2nnc(o2)-c2ccccc2)c1

BDBM67646

Cc1ccc(C(=O)ON=C(N)c2ccccn2)c(Cl)c1 |w:8.7|

BDBM69661

Clc1ccc(NC(=O)Nc2ccccn2)cc1

BDBM69662

OC(=O)c1cccc(CSc2nnc(o2)-c2cccnc2)c1

BDBM50130730

CCN(CC)Cc1c(nnn1-c1nonc1N)C(=O)N\N=C\c1ccncc1

BDBM69663

C[n+]1ccc(\C=C\c2cn(CC=C)c3ccccc23)cc1

BDBM64013

COC(=O)C1=CN(Cc2ccc(OC)c(OC)c2)C=C(C1c1ccccc1F)C(=O)OC |c:19,t:4|

BDBM69664

COc1ccc(OC)c(c1)C(=O)c1coc2ccc(O)c(CN(C)C)c12

BDBM69665

COc1ccc(CCNc2c(C=O)c(=O)[nH]c3ccccc23)cc1OC

BDBM69666

COc1cccc(c1)C(=O)CSc1nccn1C

BDBM69667

Cn1c(SCc2cccc(Br)c2)nnc1-c1ccncc1

BDBM69668

CC(CC(=O)Nc1nnc(s1)C(C)(C)C)c1ccccc1

BDBM69669

CCOC(=O)c1cnc2ccc(OC)cc2c1NCCN1CCOCC1

BDBM69670

Cc1cc(C)n(n1)S(=O)(=O)c1ccc(C)c(C)c1

BDBM69671

COc1ccccc1-c1coc2c(CN(C)C)c(O)ccc2c1=O

BDBM69672

COc1ccccc1-c1c(oc2c(CN(C)C)c(O)ccc2c1=O)C(F)(F)F |(7.08,5.42,;7.08,3.88,;5.75,3.11,;4.41,3.88,;3.08,3.11,;3.08,1.57,;4.41,.8,;5.75,1.57,;7.08,.8,;7.08,-.74,;8.41,-1.51,;9.75,-.74,;11.13,-1.56,;11.11,-3.1,;12.43,-3.88,;12.41,-5.42,;13.77,-3.13,;12.52,-.77,;13.85,-1.54,;12.52,.84,;11.13,1.63,;9.75,.8,;8.41,1.57,;8.41,3.11,;5.75,-1.51,;4.41,-2.28,;6.52,-2.84,;4.98,-.17,)|

BDBM69673

CC(N=Nc1nccnc1Cl)c1ccc(Br)cc1 |w:2.1|

BDBM50178993

C(CN1CCOCC1)Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1

BDBM69674

CN(C)Cc1c(O)ccc2c1oc(c(-c1ccccc1)c2=O)C(F)(F)F

BDBM69675

Clc1ccccc1NC(=O)Nc1ccccn1

BDBM69676

CC(=O)c1cccc(Nc2nc(nc3ccccc23)-c2ccccc2)c1

BDBM69677

CN1CC(=O)Nc2ccc(cc2C1=O)[N+]([O-])=O

BDBM69678

Fc1ccccc1NC(=O)CN1C(=O)COc2ccccc12

BDBM69679

CN(C)CCc1cc2OCOc2c2c1ccc1ccccc21

BDBM69680

COc1ccccc1\C=C1/C(=O)Nc2ccccc12

BDBM69681

COc1cc(OC)c(OC)cc1CNCC1COc2ccccc2O1

BDBM69682

COc1cccc(c1)C(=O)NNC(=O)c1ccccc1

BDBM69683

Brc1cccc(c1)C(=O)NCCc1ccccc1

BDBM54832

[H]C12CCCC([H])(CC(C1)NC(=O)c1cccc(C)c1)N2Cc1ccccc1

BDBM69684

COc1ccc(OC)c(c1)C1Nc2ccccc2N=C2CC(C)(C)CC(=O)C12 |t:20|

BDBM69685

Cn1c(SCC(=O)Nc2ccccc2)nc2ccccc2c1=O

BDBM69686

CCN1CCN(CC1)c1c(C=O)c(Cl)nc2ccc(OC)cc12

BDBM69687

CC(=O)Oc1cc(C)cc2oc(=O)cc(-c3ccccc3)c12

BDBM69688

Oc1cc(O)c2c(cc(=O)oc2c1)-c1ccccc1

BDBM69689

CN(C)Cc1c(O)ccc2occ(C(=O)c3ccc(C)cc3)c12

BDBM69690

Cc1ccccc1NC(=O)Nc1ccccn1

BDBM69691

COc1cc(cc(OC)c1OC)C(=O)N1CCN(CC1)c1ccccn1

BDBM69692

COc1ccc(cc1)C(=O)c1sc(Nc2ccc(NC(C)=O)cc2)nc1C

BDBM69693

CCSc1nc2sc3CN(C)CCc3c2c(=O)n1-c1ccccc1

BDBM69694

Cc1nc(C)c(s1)-c1csc(Nc2ccc(C(O)=O)c(O)c2)n1

BDBM60882

Cc1cc2c(Nc3ccc(O)cc3)ncnc2s1

BDBM69695

NC(=O)CSc1nnc(COc2ccc3ccccc3c2)o1

BDBM69696

COc1ccc(cc1)-c1nn(cc1C=O)-c1ccccc1

BDBM50245926

CC(=O)Nc1ccc(cc1)S(=O)(=O)c1cc(O)ccc1O

BDBM69697

Cc1cc(c(C)cc1-c1ccc(\C=N\n2cnnc2)o1)[N+]([O-])=O

BDBM69698

Brc1ccc(cc1)C1C(C(=O)c2ccc(Br)cc2)C(=O)C(=O)N1c1ccccn1

BDBM69699

Oc1c(C(=O)NCc2ccc(Cl)cc2)c(=O)n(CC=C)c2ccccc12

BDBM69700

COc1ccc(C=C2SC(Nc3ccccc3)=NC2=O)cc1 |w:6.5,c:17|

BDBM69701

Cc1ccccc1NC(=O)CN1C(=O)c2ccccc2C1=O

BDBM69702

Cn1c(=O)c2[nH]c(CCCC(O)=O)nc2n(Cc2ccccc2)c1=S

BDBM50122776

CN(C)Cc1ccc(cc1)-c1nc2cccc3C(=O)NCCn1c23

BDBM69703

COc1ccc(OC)c(Nc2nc(N)c(c(NC3CCCCC3)n2)[N+]([O-])=O)c1

BDBM47889

CCOc1ccc2N(CC3COc4ccccc4O3)C(=O)C(=O)c2c1

BDBM69704

CCCCn1nc(NC(=O)CCC)c2cc3cc(OC)ccc3nc12

BDBM69705

COc1ccc2occ(C(=O)c3ccc(N)cc3)c2c1

BDBM69706

Cc1ccc(cc1)C(=O)c1coc2ccc(O)cc12

BDBM69707

CCC(NC(=O)Cc1c(C)c2cc3CCC(C)(C)Oc3cc2oc1=O)C(O)=O

BDBM69708

C[C@]12CC(O)C3[C@@H](CCC4=CC(=O)C=C[C@]34C)C1CC[C@]2(O)C(=O)COC(=O)CCC(O)=O |c:13,t:9|

BDBM69709

Clc1ccccc1Nc1nc(nc2ccccc12)-c1ccncc1

BDBM69710

Nc1nc(NC2CCCCC2)nc(NCCO)c1[N+]([O-])=O

BDBM69711

CCCC(NC(=O)Cc1c(C)c2c3occ(C)c3c(C)cc2oc1=O)C(O)=O

BDBM69712

CCOc1ccc2N(CCN3CCOCC3)C(=O)C(NC(C)=O)c2c1

BDBM69713

CCCCn1nc(NC(=O)COC)c2cc3cc(OC)ccc3nc12

BDBM69714

CC(C)N1C(=O)N(c2ccc(Cl)cc2)C(C)(O)CC1(C)C

BDBM69715

COc1ccc2nc3n(CC(C)C)nc(NC(=O)CC(C)C)c3cc2c1

BDBM69716

COc1ccc2nc3n(CC(C)C)nc(NC(=O)C(C)(C)C)c3cc2c1

BDBM69717

CCCCn1nc(NC(=O)CC(C)C)c2cc3cc(OC)ccc3nc12

BDBM69718

CC1=C(C#N)C(=O)NC(=O)C1=NNc1ccc(Cl)c(c1)C(O)=O |w:11.12,c:1|

BDBM69719

COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)C2CCC(=O)N12

BDBM69720

CCCCn1nc(NC(=O)CC)c2cc3cc(OC)ccc3nc12

BDBM69721

CCCn1nc(NC(=O)C(C)C)c2cc3cc(OC)ccc3nc12

BDBM69722

CCCn1nc(NC(=O)C(C)(C)C)c2cc3cc(OC)ccc3nc12

BDBM69723

CC(C)CNc1nc(N)c(c(NC2CCCCC2)n1)[N+]([O-])=O

BDBM69724

Cc1ccc2c(CN3CCN(Cc4ccccc4)CC3)cc(=O)oc2c1C

BDBM69725

CCC(=O)Nc1nn(CC(C)C)c2nc3ccc(C)cc3cc12

BDBM69726

Cn1c(SCc2ccccc2C#N)nnc1-c1ccncc1

BDBM69727

COc1ccc2oc(C)c(C(=O)c3ccc(C)cc3)c2c1

BDBM69728

COc1ccc(cc1)-c1cc(=O)oc2c(C)c(O)ccc12

BDBM69729

COCCNc1nc(SC)nc2sc3CN(C)CCc3c12

BDBM50033284

C(Nc1nc(nc2ccccc12)-c1cccnc1)c1ccccc1

BDBM59547

COc1cc(\C=C2\C(=O)NN(C2=O)c2cccc(Cl)c2)cc(Br)c1O

BDBM52019

COc1ccccc1-n1c(n[nH]c1=S)-c1ccco1 |(3.08,-1.57,;4.41,-.8,;5.75,-1.57,;5.75,-3.11,;7.08,-3.88,;8.41,-3.11,;8.41,-1.57,;7.08,-.8,;7.08,.74,;8.33,1.64,;7.85,3.11,;6.31,3.11,;5.84,1.64,;4.37,1.17,;9.79,1.17,;10.27,-.3,;11.81,-.3,;12.28,1.17,;11.04,2.07,)|

BDBM69730

CC(C)Cn1nc(NC(=O)C(C)(C)C)c2cc3cccc(C)c3nc12

BDBM69731

OC(=O)c1cccc(Nc2nc(nc3ccccc23)-c2ccccc2)c1

BDBM69732

COc1ccc2nc(C)cc(Nc3ccc(cc3)N3CCN(C)CC3)c2c1

BDBM69733

COC(=O)c1ccc(CSc2nnc(o2)-c2ccncc2)cc1

BDBM69734

CCN1CCN(CC2COc3ccccc3O2)CC1

BDBM69735

CC1CCN(CC1)c1nc2c(N)ncnc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O

BDBM69736

Cc1n[nH]c2OC(=[NH2+])[C-](C#N)[C@@H](c12)c1ccccc1[N+]([O-])=O

BDBM69737

CCOC(=O)c1cnc2ccc(OC)cc2c1Nc1ccc(cc1)N1CCN(C)CC1

BDBM69738

CCOc1ccc(cc1[N+]([O-])=O)-c1csc2[N-]CC[n+]12

BDBM69739

COc1cc(C=Nn2c(n[nH]c2=S)C2CCCCC2)cc(Br)c1O |w:6.6|

BDBM69740

CCCc1c(nnn1-c1nonc1N)C(=O)NN=Cc1ccncc1

BDBM69741

COC(CNc1nc(SC)nc2sc3CN(C)CCc3c12)OC

BDBM69742

CCN(CC)CCNc1nc(SC)nc2sc3CN(C)CCc3c12

BDBM69743

CSc1nc(NCC(C)O)c2c3CCN(C)Cc3sc2n1

BDBM69744

COc1ccc(OC)c(Nc2nc(nc(N)c2[N+]([O-])=O)N(C)c2ccccc2)c1

BDBM69745

CCn1nc(NC(=O)CC(C)C)c2cc3cccc(C)c3nc12

BDBM69746

CC(C)Cn1nc(NC(=O)C(C)(C)C)c2cc3cc(C)ccc3nc12

BDBM69747

Nc1nc(NCCc2ccccc2)nc(NCCO)c1[N+]([O-])=O

BDBM69748

CC(C)CNc1nc(N)c(c(n1)N1CCCCCC1)[N+]([O-])=O

BDBM69749

COC(CSc1nc(N)c2c3CCN(C)Cc3sc2n1)OC

BDBM69750

CCC(C)Nc1nc(N)c(c(NCc2ccccc2)n1)[N+]([O-])=O

BDBM69751

Nc1nc(NCCOCCO)nc(NC2CCCCC2)c1[N+]([O-])=O

BDBM69752

CN(C)CCCNc1nc(N)c(c(NC2CCCCC2)n1)[N+]([O-])=O

BDBM69753

COc1ccccc1Nc1nc(NCC=C)nc(N)c1[N+]([O-])=O

BDBM69754

COCCNc1nc(N)c(c(NC2CCCCC2)n1)[N+]([O-])=O

BDBM69755

COc1ccc(cc1)C(=O)c1sc(Nc2ccccc2F)nc1N

BDBM69756

COC(=O)c1ccc(Nc2nc(nc3ccccc23)-c2ccncc2)cc1

BDBM69757

CNc1nc(N)c(c(NC2CCCCC2)n1)[N+]([O-])=O

BDBM69758

COc1ccc(Nc2nc(N)c(c(NC3CCCCC3)n2)[N+]([O-])=O)cc1

BDBM69759

CC(C)CCNc1nc(N)c(c(NC2CCCCC2)n1)[N+]([O-])=O

BDBM69760

COCCCNc1nc(N)c(c(NC2CCCCC2)n1)[N+]([O-])=O

BDBM69761

Nc1nc(NCCOCCO)nc(NCc2ccccc2)c1[N+]([O-])=O

BDBM69762

OC(=O)Cn1c(=O)n(Cc2ccccc2F)c2sc3CCCCc3c2c1=O

BDBM58371

CN(C)CCCNc1nc(N)c(c(n1)N1CCCCCC1)[N+]([O-])=O

BDBM69763

Nc1nc(NCC=C)nc(NC2CCCCC2)c1[N+]([O-])=O

BDBM69764

CN(C)CCCNc1nc(N)c(c(NCc2ccccc2)n1)[N+]([O-])=O

BDBM58372

Nc1nc(Nc2ccccc2)nc(NC2CCCCC2)c1[N+]([O-])=O

BDBM69765

Nc1nc(NCCO)nc(NC2CCCCC2)c1[N+]([O-])=O

BDBM69766

COCCCNc1nc(N)c(c(NCc2ccccc2)n1)[N+]([O-])=O

BDBM69767

CCC(C)Nc1nc(N)c(c(NC2CCCCC2)n1)[N+]([O-])=O

BDBM69768

CSc1nc(N)c2c3CCN(C)Cc3sc2n1

BDBM69769

Nc1nc(Nc2ccccc2F)sc1C(=O)c1ccccc1

BDBM69770

Nc1ncc(-c2ccccc2)c(n1)-c1ccc(O)cc1O

BDBM69771

COCCN(CCOC)Cc1c2O\C(=C/c3ccco3)C(=O)c2ccc1O

BDBM69772

CSc1ncc(C(=O)Nc2ccccc2C)c(C)n1

BDBM69773

COc1ccc(cc1NS(=O)(=O)c1cccc2cccnc12)C(C)(C)C

BDBM69774

CCc1nn(CC(=O)NCCC(C)C)c(=O)c2cc3c(OC)cccc3n12

BDBM69775

COC(CNC(=O)CCc1c(C)nc2n(nc(C)c2c1C)-c1ccc(C)cc1)OC

BDBM58387

Cc1ccc(cc1)-c1nn(cc1CN=O)-c1ccccc1

BDBM69776

COc1ccc(C(=O)\C=C2\C(=O)Nc3ccccc23)c(OC)c1

BDBM69777

Cc1c(sc2n(C)c(=O)n(Cc3ccccc3)c(=O)c12)C(O)=O

BDBM69778

OC(=O)c1ccc(C=C2SC(Nc3ccccc3Cl)=NC2=O)cc1 |w:7.6,c:19|

BDBM69779

N#Cc1ccccc1CSc1nnc(o1)-c1ccncc1

BDBM69780

Fc1cccc(Cl)c1CSc1nnc(o1)-c1ccncc1

BDBM69781

Cc1cc2nc([nH]c2cc1C)-c1ccc[nH]c1=O

BDBM69782

CN(C)c1nc(nc(-c2ccccc2)c1C#N)-c1cccnc1

BDBM69783

COc1cc2ncnc(Nc3ccc4OCOc4c3)c2cc1OC

BDBM69784

COc1cccc(c1)C(=O)CC(C#N)c1ccc(F)cc1

BDBM69785

OC(=O)c1ccccc1Nc1ccnc(c1)C(F)(F)F

BDBM69786

C(Cc1ccccc1)NCC1COc2ccccc2O1

BDBM69787

CC(C)Nc1nc(nc(-c2ccccc2)c1C#N)-c1ccncc1

BDBM69788

CC(C)Nc1nc(nc(-c2ccccc2)c1C#N)-c1cccnc1

BDBM69789

Clc1nc(nc(-c2ccccc2)c1C#N)-c1ccncc1

BDBM69790

CC(C(=O)NCc1ccccc1)n1cc(cn1)[N+]([O-])=O

BDBM69791

CC(NCC1COc2ccccc2O1)C1COc2ccccc2O1

BDBM69792

Nc1nc(NCC=C)nc(Nc2cccc(Cl)c2)c1[N+]([O-])=O

BDBM69793

CCCC(=O)Nc1nn(CC(C)C)c2nc3cc(C)ccc3cc12

BDBM69794

COc1c[c-](C[NH+]=Nc2ccc(cn2)[N+]([O-])=O)cc(OC)c1=O |w:6.5|

BDBM69795

CC1=C(C#N)C(=O)NC(=O)C1=NNc1ccc(Br)cc1C(O)=O |w:11.12,c:1|

BDBM69796

NCCCNc1nc(N)c(c(NC2CCCCC2)n1)[N+]([O-])=O

BDBM69797

COc1ccccc1Nc1nc(nc(N)c1[N+]([O-])=O)N(C)c1ccccc1

BDBM69798

COc1ccc(Nc2nc(N)c(s2)C(=O)c2ccc(F)cc2)cc1

BDBM50130724

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

BDBM69799

Cc1ccc(cc1\[NH+]=C1/C(=O)[N-]c2ccccc12)[N+]([O-])=O

BDBM69800

Nc1nc(O)c(N=Nc2ccc(cc2)S(N)(=O)=O)c(=O)[nH]1 |w:7.7|

BDBM69801

CNc1nc(N)c(c(Nc2ccccc2OC)n1)[N+]([O-])=O

BDBM69802

CSc1nc(NCCCN(C)C)c2c3CCN(C)Cc3sc2n1

BDBM69803

Nc1nc(NCC(O)=O)nc(NC2CCCCC2)c1[N+]([O-])=O

BDBM64116

OC(=O)c1cccc(Nc2ccnc(Nc3cccc(c3)C(O)=O)n2)c1

BDBM69804

Nc1nc(NCCOCCO)nc(Nc2cccc(F)c2)c1[N+]([O-])=O

BDBM69805

COC(=O)c1cccc(Nc2nc(nc3ccccc23)-c2ccncc2)c1

BDBM69806

Cc1ccc(cc1)-c1nn(cc1CO)-c1ccccc1

BDBM69807

COCCNc1nc(N)c(c(Nc2ccc(F)cc2)n1)[N+]([O-])=O

BDBM69808

Nc1nc(NCCO)nc(NCc2ccccc2)c1[N+]([O-])=O

BDBM66190

Nc1nc(C(C#N)C#N)c(C#N)c(-c2ccccc2)c1C#N

BDBM69809

CCn1nc(NC(=O)CC(C)C)c2cc3ccc(C)cc3nc12

BDBM69810

OC(=O)Cn1cc(CN=Nc2ccc(cn2)[N+]([O-])=O)c2ccccc12 |w:8.7|

BDBM69811

CCOC(=O)c1c(oc2ccc(OCC(=O)NNC(=O)CCCC(O)=O)cc12)-c1ccccc1

BDBM69812

COc1ccc(Nc2nc(N)c(s2)C(=O)c2ccc(OC)cc2)cc1

BDBM69813

CCN1CCN(CC1)c1cc(C)c2cc(NC(=O)CCC(=O)Nc3ccc(OC)cc3OC)ccc2n1

BDBM69814

Cc1ccc(CNS(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)cc1

BDBM69815

Cc1cc2oc(=O)cc(Cn3ccnc3)c2cc1O

BDBM69816

CN1CCN(CCNC(=O)Nc2ccccc2[N+]([O-])=O)CC1

BDBM69817

COc1ccc(CN=Nc2ccc(cc2)[N+]([O-])=O)cc1O |w:8.8|

BDBM69818

COc1ccc(cc1)N1CCN(CC(O)COc2c(OC)cccc2OC)CC1

BDBM69819

[O-][N+](=O)c1ccccc1NC(=O)Nc1ccccn1

BDBM50179003

COc1ccc(Nc2nc(NCCN3CCOCC3)nc(Nc3ccc(OC)cc3)n2)cc1

BDBM69820

Cc1ccc(cc1)-c1nc(Nc2cccc(O)c2)c2ccccc2n1

BDBM69821

CCCN(CCC)Cc1c(nnn1-c1nonc1N)C(=O)NN=Cc1ccncc1

BDBM69822

CN1CCN(CCCNC(=O)Nc2ccc(cc2)[N+]([O-])=O)CC1

BDBM69823

COC(=O)c1nnn(c1CN1CCCC1)-c1nonc1N

BDBM69824

COc1cccc2cc(C(=O)NCc3ccc(C)cc3)c(=O)oc12

BDBM69825

Cc1ccc(NC2=CC(=O)CC(C)(C)C2)cc1F |t:6|

BDBM69826

Cc1ccc(C)c(CN2CCC(CNC(=O)Nc3cc(C)cc(C)c3)CC2)c1

BDBM69827

COc1ccc(cc1)C(=O)c1coc2ccc(OC(C)=O)cc12

BDBM69828

COc1cccc2cc(CC(=O)c3ccc(C)cc3C)c(=O)oc12

BDBM69829

COc1cccc2cc(CC(=O)c3cc(C)ccc3C)c(=O)oc12

BDBM69830

COc1cccc2cc(CC(=O)c3ccccc3)c(=O)oc12

BDBM69831

FC(F)(Cl)Oc1ccc(NC(=O)CSc2nc(-c3ccccc3)c(C#N)c(=O)[nH]2)cc1

BDBM69832

COc1ccc(cc1)C(=O)c1coc2ccc(O)cc12

BDBM54446

Cc1c(O)ccc2c(cc(=O)oc12)-c1ccccc1

BDBM69833

C[n+]1ccccc1\C=C\c1cc(Br)ccc1O

BDBM69834

CC1(C)N=C(N)N=C(N)N1c1ccc(Oc2ccc(Cl)cc2)c(Cl)c1 |t:3,6|

BDBM69835

COc1ccc(Nc2nc(nc3ccccc23)-c2ccncc2)cc1

BDBM69836

COc1ccc(cc1OC)-c1nn(cc1CN=O)-c1ccccc1

BDBM69837

COc1ccc(cc1)-c1nn(cc1CN=O)-c1ccccc1

BDBM66785

COC(=O)C(C)Oc1cc(OC(C)C(=O)OC)c2c(cc(=O)oc2c1)-c1ccccc1

BDBM69838

CC(C)c1ccc(NC2=CC(=O)CC(C)(C)C2)cc1 |t:8|

BDBM69839

COc1ccc(OC)c(Nc2c3ccccc3nc3ccccc23)c1

BDBM69840

Cc1ccc(C)c(Nc2nc(nc3ccccc23)-c2ccncc2)c1

BDBM69841

CN(C)c1nc2c(N)ncnc2n1[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O

BDBM69842

O=NCc1cn(nc1-c1ccccc1)-c1ccccc1

BDBM69843

CCNc1nc(SCC(N)=O)nc2sc3CN(C)CCc3c12

BDBM67670

Cc1nc[nH]c1C(=O)NN=Cc1c(Cl)cccc1Cl |w:9.9|

BDBM69844

Oc1cc(O)c2c(c1)oc(-c1ccccc1)c(-c1ccccc1)c2=O

BDBM69845

COc1ccc(cc1)C(=O)c1sc(Nc2ccccc2)nc1C

BDBM69846

Cc1nc(Nc2ccccc2)sc1C(=O)c1ccc(F)cc1

BDBM69847

CC(=O)Nc1ccc(cc1)S(=O)(=O)NCc1ccc(C)n1C

BDBM69848

COc1ccc(CC(=O)Nc2nc(c(s2)C(C)=O)-c2ccccc2)cc1OC

BDBM58450

Oc1ccc(cc1)C(=O)OCc1ccc(COC(=O)c2ccc(O)cc2)cc1

BDBM69849

Fc1ccccc1CNc1nc(nc2ccccc12)-c1cccnc1

BDBM69850

OC(CNc1nc(nc2ccccc12)-c1cccnc1)c1ccccc1

BDBM69851

[O-][N+](=O)c1cccc(c1)\[NH+]=C1/C(=O)[N-]c2ccccc12

BDBM69852

COCCn1c(SCC(=O)NCc2ccccc2)nc2ccccc12

BDBM69853

COCCn1c(SCC(=O)NC(C)c2ccccc2)nc2ccccc12

BDBM69854

CC(=O)c1cccc(c1)S(=O)(=O)NC1CCSc2ccccc12

BDBM69855

Clc1cccc(CNc2nc(nc3ccccc23)-c2cccnc2)c1

BDBM69856

C(Nc1nc(nc2ccccc12)-c1cccnc1)c1cccnc1

BDBM50130725

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

BDBM69857

COCCn1c(SCC(=O)NCc2ccc(F)cc2)nc2ccccc12

BDBM69858

COc1ccc(\C=C\C(=O)NC2CCN(Cc3ccccc3)CC2)cc1OC

BDBM7238

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

BDBM69859

C[C@H](C(O)c1ccccc1)N(C)C(=O)CN

BDBM69860

Fc1ccc(CNc2nc(nc3ccccc23)-c2cccnc2)cc1

BDBM69861

OC(=O)CCc1ccc(O)c(C=O)c1

BDBM69862

OC(=O)c1ccccc1NC(=O)c1ccccc1Nc1ccccc1

BDBM69863

COc1ccc2nc(C)cc(N3CCN(CC3)c3ccccc3)c2c1

BDBM69864

COc1cccc(Nc2nc(nc3ccccc23)-c2ccccc2)c1

BDBM69865

Cc1cc(=O)[n-]c(N=NCc2ccc(o2)-c2ccc(cc2)[N+]([O-])=O)[nH+]1 |w:7.6|

BDBM69866

COc1ccc(CCNc2nc(nc3ccccc23)-c2cccnc2)cc1OC

BDBM69867

[O-][N+](=O)c1cc(ccc1NCCCn1ccnc1)C(=O)c1ccccc1

BDBM69868

COc1ccc(cc1)N1CCN(CC1)c1cc(C)nc2ccc(OC)cc12

BDBM69869

CC(C)N1CCc2c(C1)sc(NC(=O)Cc1ccccc1)c2C(N)=O

BDBM69870

CN(C1CCCCC1)c1ncnc(N)c1[N+]([O-])=O

BDBM69871

OC(=O)c1cc(ccc1Cl)N=NCc1ccc(o1)-c1ccc(F)cc1 |w:10.10|

BDBM69872

Cc1cc(ccc1O)-c1onc2ccc(Cl)cc12

BDBM69873

CCN1CCc2c(C1)sc(NC(=O)Cc1ccccc1)c2C(N)=O

BDBM69874

CS(=O)(=O)Nc1cccc(c1)-c1cn2CCSc2n1

BDBM69875

CCC(OCC(O)CN1CCCCC1)c1ccccc1

BDBM48019

COC(=O)c1ccc2nc(NC(=O)C3CC3)sc2c1

BDBM53196

CC(=O)N1CCc2c(C1)sc(NC(=O)C1CCCCC1)c2C(N)=O

BDBM69876

CCC(=O)Nc1sc2CN(Cc3ccccc3)CCc2c1C(N)=O

BDBM50096003

Oc1ccc2cc(-c3ccccc3)c(=O)oc2c1

BDBM69877

CCOC(=O)C1CCN(CC(O)COC(CC)c2ccccc2)CC1

BDBM69878

CCC(CC)NC(=O)COC(=O)c1ccc2C(=O)N(Cc3ccco3)C(=O)c2c1

BDBM69879

Cc1c(O)ccc(C(=O)CN2CCN(CC2)c2ccc(F)cc2)c1O

BDBM69880

O=c1[nH]c(nc(-c2ccccc2)c1C#N)-c1cccnc1

BDBM69881

Clc1ccc(NC(=O)Nc2ccccn2)cc1Cl

BDBM69882

COc1ccc(cc1)C(=O)c1ccsc1N

BDBM69883

CC(C)Cc1ccccc1O

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|

BDBM69884

[O-][N+](=O)c1ccc2Nc3ccccc3NC(=O)c2c1

BDBM69885

Oc1cccc(Nc2nc(nc3ccccc23)-c2ccccc2)c1

BDBM69886

Clc1nc(nc(-c2ccccc2)c1C#N)-c1cccnc1

BDBM69887

CCCSCCCNC(=O)Cn1nc(CC)n2c3cccc(OC)c3cc2c1=O

BDBM69888

COCc1c(nnn1-c1nonc1N)C(=O)NN=Cc1ccncc1

BDBM69889

CC(=O)N1CCc2c(C1)sc(NC(=O)Cc1ccc(F)cc1)c2C(N)=O

BDBM69890

COc1ccc(cc1OC)C(=O)c1sc(Nc2ccccc2)nc1N

BDBM69891

CNc1nc2c(N)ncnc2n1[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O

BDBM69892

COc1cc(cc(CN2C(=O)c3ccccc3C2=O)c1OC)C(=O)OCC(=O)NC(N)=O

BDBM69893

CC(=O)N1CCc2c(C1)sc(NC(=O)Cc1ccccc1)c2C(N)=O

BDBM69894

CN1CCc2c(C1)sc(NC(=O)Cc1ccccc1)c2C(N)=O

BDBM69895

CN1CCc2c(C1)sc(NC(=O)Cc1ccc(F)cc1)c2C(N)=O

BDBM69896

CN(C)Cc1c(nnn1-c1nonc1N)C(=O)NN=Cc1ccncc1

BDBM33269

CN(C)c1ccc(cc1)\N=N\c1ccc(cc1)S(N)(=O)=O

BDBM69897

C(Nc1nc(nc2ccccc12)-c1cccnc1)C1CCCO1

BDBM69898

NS(=O)(=O)c1ccc(NNC2=c3cc(Br)ccc3=NC2=O)cc1 |c:10,18|

BDBM69899

Nc1ncc(c(n1)N1CCCCCC1)[N+]([O-])=O

BDBM50217942

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(Oc4cc(cc(c4C3=O)O)O)c5ccc(c(c5)O)O)O)O)O)O)O)O

BDBM69900

Nc1nc(N)nc(n1)-c1cc(Cl)ccc1Cl

BDBM50241354

OC[C@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O |r|

BDBM61587

COC(=O)C1=C(C)N(Cc2ccccc2)C(NCc2ccc(OC)cc2)=N[C@H]1c1cccc(F)c1 |c:4,27|

BDBM69901

COc1cc([CH+][N-]NC(=O)COc2ccc(cc2)[N+]([O-])=O)ccc1OCC(=O)N1CCOCC1

BDBM69902

Fc1cccc(NC(=O)c2cccc3CN(C4CCCCC4)C(=O)c23)c1

BDBM69903

OC(=O)c1ccc2c3OCc4cc(Cl)ccc4-n3nc2c1

BDBM69904

Nc1nonc1-n1nnc(C(=O)NN=Cc2c(Cl)cccc2Cl)c1CN1CCOCC1

BDBM69905

COc1ccc(cc1)C(=O)N\C(=C/c1ccco1)C(=O)NCCN1CCOCC1

BDBM69906

CCN(CC)CCN1C(C(C(=O)c2ccc(cc2)S(=O)(=O)N2CCOCC2)C(=O)C1=O)c1ccccc1

BDBM69907

CCCN(C(=O)CCNC(=O)Cn1cnc2ccccc2c1=O)c1cccc(Cl)c1

BDBM69908

CCCN(CCC)Cc1c(nnn1-c1nonc1N)C(=O)NN=Cc1cccs1

BDBM61131

CCCN(CCC)Cc1c(nnn1-c1nonc1N)C(=O)NN=Cc1c[nH]c2ccccc12 |w:22.23|

BDBM69909

CCN1CCN(CCCNC(=O)c2ccc3S\C(=C\c4cccc(C)c4)C(=O)Nc3c2)CC1

BDBM69910

COc1ccc(cc1)-c1cc([nH]n1)C(=O)N1CCN(CC1)C(=O)c1ccco1

BDBM69911

Cc1cccc(\C=C2\Sc3ccc(cc3NC2=O)C(=O)NCCCN2CCOCC2)c1

BDBM69912

Cc1cccc(\C=C2\Sc3ccc(cc3NC2=O)C(=O)NCCN2CCCC2)c1

BDBM69913

CCN(CC)Cc1c(nnn1-c1nonc1N)C(=O)NN=Cc1ccc(C)o1

BDBM69914

Nc1nonc1-n1nnc(C(=O)NN=Cc2ccc(Cl)cc2Cl)c1CN1CCCCC1

BDBM69915

Nc1nonc1-n1nnc(C(=O)NN=Cc2cccc(Cl)c2Cl)c1CN1CCOCC1

BDBM69916

CN(C)Cc1c(nnn1-c1nonc1N)C(=O)NN=Cc1ccccc1OCc1c(F)cccc1Cl

BDBM69917

CN(C)Cc1c(nnn1-c1nonc1N)C(=O)NN=CCCc1ccccc1 |w:18.19|

BDBM69918

CN(C)Cc1c(nnn1-c1nonc1N)C(=O)NN=Cc1ccoc1

BDBM61136

CCCN(CCC)Cc1c(nnn1-c1nonc1N)C(=O)NN=C\C(C)=C/c1ccccc1

BDBM69919

CCCN(CCC)Cc1c(nnn1-c1nonc1N)C(=O)NN=Cc1ccco1

BDBM69920

COc1ccc(\C=C2/Sc3ccc(cc3N(C)C2=O)C(=O)NCCN2CCCCCC2)cc1

BDBM69921

CCCN(CCC)Cc1c(nnn1-c1nonc1N)C(=O)NN=Cc1ccoc1

BDBM58507

Nc1nonc1-n1nnc(C(=O)NN=Cc2cc(Cl)ccc2O)c1CN1CCCCCC1 |w:13.13|

BDBM69922

Nc1nonc1-n1nnc(C(=O)NN=Cc2ccc(O)cc2)c1CN1CCCCCC1 |w:13.13|

BDBM69923

Nc1nonc1-n1nnc(C(=O)NN=Cc2ccccc2F)c1CN1CCOCC1

BDBM69924

Nc1nonc1-n1nnc(C(=O)NN=Cc2cccc(Cl)c2)c1CN1CCCC1

BDBM69925

Nc1nonc1-n1nnc(C(=O)NN=Cc2ccc(Cl)cc2Cl)c1CN1CCCC1

BDBM69926

Nc1nonc1-n1nnc(C(=O)NN=Cc2cccc(F)c2)c1CN1CCCC1

BDBM69927

CN(C)c1ccc(C=NNC(=O)c2nnn(c2CN2CCCCCC2)-c2nonc2N)cc1

BDBM69928

Nc1nonc1-n1nnc(C(=O)NN=Cc2ccccc2O)c1CN1CCCC1 |w:13.13|

BDBM69929

COc1ccc(\C=C2/Sc3ccc(cc3N(C)C2=O)C(=O)NCCCN2CCCC2)cc1OC

BDBM69930

Nc1nonc1-n1nnc(C(=O)NN=Cc2cccc(Cl)c2)c1CN1CCCCCC1

BDBM69931

Nc1nonc1-n1nnc(C(=O)NN=Cc2ccccc2Br)c1CN1CCCC1

BDBM69932

CC(C(=O)NC1CCCCCC1)n1cc(cn1)[N+]([O-])=O

BDBM69933

COc1cccc(\C=C2/Sc3ccc(cc3N(C)C2=O)C(=O)NCC2CCCO2)c1

BDBM69934

COCc1c(nnn1-c1nonc1N)C(=O)NN=Cc1ccccn1

BDBM69935

O=C(CS(=O)(=O)c1ccccc1)c1cc2ccccc2oc1=O

BDBM69936

COc1cccc2cc(C(=O)CS(=O)(=O)c3ccc(cc3)C(C)(C)C)c(=O)oc12

BDBM52030

Fc1ccccc1\C=C1\Sc2ccc(cc2NC1=O)C(=O)NCCCN1CCOCC1

BDBM69937

CCN1CCCC1CNC(=O)c1ccc2S\C(=C\c3ccc(OC)c(OC)c3)C(=O)Nc2c1

BDBM69938

COc1ccc(\C=C2\Sc3ccc(cc3NC2=O)C(=O)NCCCN2CCOCC2)cc1OC

BDBM69939

CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)NCC(=O)NCc1ccc(C)cc1

BDBM69940

COc1cccc(\C=C2\Sc3ccc(cc3NC2=O)C(=O)NCCN2CCCCCC2)c1

BDBM69941

CCOc1ccc(CNC(=O)C2CCN(CC2)c2nnc(C)c3c(C)n(nc23)-c2ccc(C)cc2)cc1

BDBM69942

COc1ccc(\C=C2\Sc3ccc(cc3NC2=O)C(=O)NCCN2CCCCCC2)cc1

BDBM69943

Cc1n(nc2c(nnc(C)c12)N1CCC(CC1)C(=O)N1CCCCCC1)-c1ccc(C)cc1

BDBM69944

COc1cccc(\C=C2\Sc3ccc(cc3NC2=O)C(=O)NCCCN2CCCC2)c1

BDBM69945

Fc1ccccc1\C=C1\Sc2ccc(cc2NC1=O)C(=O)NCC1CCCO1

BDBM62273

Cc1ccc(C(=O)ON=C(N)c2ccccn2)c(C)c1 |w:8.7|

BDBM64253

CCOc1ccccc1CNC(=O)CCn1ccc2cc(ccc12)S(=O)(=O)N1CCCCC1

BDBM69946

O=C(CCCC1=Nc2ccccc2S(=O)(=O)N1)Nc1ccccc1 |t:5|

BDBM69947

COc1ccc2cc(C(=O)CS(=O)(=O)c3ccccc3)c(=O)oc2c1

BDBM69948

COc1ccc(cc1)S(=O)(=O)CC(=O)c1cc2cccc(C)c2oc1=O

BDBM69949

CCc1nnc(SCC(=O)Nc2ccc(Br)cn2)[nH]1

BDBM69950

O=C(NC(=O)c1ccccc1)Nc1ccccn1

BDBM69951

CCn1cc(CN2CCC(CC2)n2nccc2NC(=O)CCCc2ccccc2)cn1

BDBM69952

Cc1ccc(NC(=O)CSc2nccn2C)cc1F

BDBM69953

COc1ccc(CCN2CC(CCC2=O)C(=O)N2CCCC2(CC=C)CC=C)cc1

BDBM69954

COc1cccc2c1cc1n2c(C)nn(CC(=O)NCc2ccccn2)c1=O

BDBM69955

COc1cccc2c1cc1n2c(C)nn(CC(=O)NCCCc2ccccc2)c1=O

BDBM69956

COc1cccc2c1cc1n2c(C)nn(CC(=O)NC2CCCCC2)c1=O

BDBM69957

COc1cccc2c1cc1n2c(C)nn(CC(=O)NCCCN2CCN(C)CC2)c1=O

BDBM69958

COc1cccc2c1cc1n2c(C)nn(CC(=O)NCCCN2CCCCC2)c1=O

BDBM69959

COc1cccc2c1cc1n2c(C)nn(CC(=O)N2CCCCCC2)c1=O

BDBM69960

CCc1nn(CC(=O)NCCCc2ccccc2)c(=O)c2cc3c(OC)cccc3n12

BDBM69961

CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)NCC(=O)Nc1ccccn1

BDBM69962

CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N(C)CC(=O)Nc1cccc(F)c1

BDBM69963

CC1Sc2ccc(cc2NC1=O)S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccc(C)cc1Cl

BDBM69964

COc1ccc2c(cc3n2c(C)nn(CC(=O)NCCCN2CCOCC2)c3=O)c1

BDBM69965

CCc1nn(CC(=O)NCCN2CCOCC2)c(=O)c2cc3c(OC)cccc3n12

BDBM69966

CCc1nn(CC(=O)NCCN2CCN(C)CC2)c(=O)c2cc3c(OC)cccc3n12

BDBM69967

CCCN1CCN(CCCNC(=O)c2ccc3Sc4ccccc4C(=O)Nc3c2)CC1

BDBM69968

COc1cccc(NC(=O)CN(C2=NC3CS(=O)(=O)CC3S2)c2cccc(C)c2)c1 |t:12|

BDBM69969

CC1CCCCN1CCCNC(=O)Cn1c2ccccc2c2nc(=O)cc(C)n12

BDBM69970

CC1CN(C(=O)CCC(=O)NCc2ccccc2)c2cc(C)ccc2O1

BDBM69971

CN1CCN(CC1)C(=O)CCS(=O)(=O)c1cc2OCC(=O)Nc2cc1Cl

BDBM69972

Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)Cn1ncc2c3cc(C)ccc3[nH]c2c1=O

BDBM69973

COc1cccc(CNS(=O)(=O)c2cc(CN3C(=O)c4cccnc4C3=O)ccc2OC)c1

BDBM69974

COc1ccc(C)cc1NC(=O)CN(C)S(=O)(=O)c1ccc2N(C(C)Cc2c1)C(C)=O

BDBM62255

CC1Cc2cc(ccc2N1C(=O)C1CC1)S(=O)(=O)N1CCN(CC1)c1ccccc1

BDBM69975

COC(=O)c1cc(c[nH]1)S(=O)(=O)N1CCCC(C)C1

BDBM69976

COc1ccccc1N1CCN(CCCNC(=O)C2CCCN(C2)c2ncnc3n4CCCCCc4nc23)CC1

BDBM66860

CC(CC(=O)N1CCN(CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccc2OCC(=O)Nc2c1

BDBM69977

NC(=O)C1CCN(CC1)c1nc2c(nnn2c2ccccc12)S(=O)(=O)c1ccccc1

BDBM69978

COc1ccc(CN(CC(=O)NCc2ccc(F)cc2)C(=O)CCC(=O)Nc2ccccn2)cc1

BDBM69979

[O-][N+](=O)c1ccccc1S(=O)(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nccs1

BDBM67678

COc1ccc(cc1)C(=O)ON=C(N)c1ccccn1 |w:11.11|

BDBM69980

COc1ccc(cc1)C(=O)OCCc1sc[n+](CC(=O)c2ccccc2)c1C

BDBM69981

COc1ccc(CN(CC(=O)NCc2ccccc2)C(=O)CCC(=O)Nc2ccccn2)cc1

BDBM69982

Fc1ccc(CNC(=O)CN(Cc2ccc(F)cc2)C(=O)CCC(=O)Nc2ccccn2)cc1

BDBM69983

CCn1c(SCC(=O)Nc2ccccc2Cl)nnc1C1CC1

BDBM69984

COc1ccc(CNC(=O)CN(Cc2ccco2)C(=O)CCC(=O)Nc2ccccn2)cc1

BDBM69985

Fc1ccc(CNC(=O)CN(Cc2ccccc2)C(=O)CCC(=O)Nc2ccccn2)cc1

BDBM69986

COc1ccc(CNC(=O)CN(Cc2ccc(OC)cc2)C(=O)CCC(=O)Nc2ccccn2)cc1

BDBM69987

COc1ccc(CN(CC(=O)NCc2ccccc2)C(=O)CCC(=O)Nc2cc(C)ccn2)cc1

BDBM69988

COc1ccc(CNC(=O)CN(Cc2ccc(OC)cc2)C(=O)CCC(=O)Nc2nccs2)cc1

BDBM69989

[O-][N+](=O)c1cnc(NC(=O)CS(=O)(=O)c2ccccc2)s1

BDBM69990

CCn1c(SCC(=O)Nc2ccc(cc2)C(C)=O)nnc1C1CC1

BDBM69991

COc1cccc(CNC(=O)C2CCN(CC2)S(=O)(=O)c2ccc(cc2)-n2cnnn2)c1

BDBM69992

COc1ccc(CNC(=O)CN(Cc2ccccc2)C(=O)CCC(=O)Nc2nccs2)cc1

BDBM69993

CCn1c(SCC(=O)NNC(=O)c2ccc(C)cc2)nnc1C1CC1

BDBM58580

CCn1c2ccccc2c(O)c(C(=O)NNC(=O)c2ccccc2)c1=O

BDBM69994

CCOc1ccccc1NC(=O)CSc1nnc(C2CC2)n1CC

BDBM69995

CCOc1ccc(OCC)c(NC(=O)CSc2nnc(C3CC3)n2CC)c1

BDBM69996

CCCn1c(SCC(=O)Nc2ccccc2OC)nnc1-c1ccco1

BDBM69997

CCn1c(SCC(=O)Nc2cc(Cl)ccc2OC)nnc1C1CC1

BDBM69998

COc1ccc(CN(CC(=O)NCCc2ccccc2)C(=O)CCC(=O)Nc2ccccn2)cc1

BDBM69999

COc1ccc(CNC(=O)CN(Cc2ccccc2)C(=O)CCC(=O)Nc2ccccn2)cc1

BDBM70000

CCOc1ccccc1NC(=O)c1nnn(c1N)-c1ccc2OCCOc2c1

BDBM70001

CCN(CC)Cc1c(nnn1-c1nonc1N)C(=O)NN=Cc1ccccn1

BDBM70002

Nc1nonc1-n1nnc(C(=O)NN=Cc2cccc(F)c2)c1CN1CCCCCC1

BDBM70003

CCCCCOc1ccc(C=NNC(=O)c2nnn(c2CN2CCCCCC2)-c2nonc2N)cc1

BDBM70004

CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)NCC(=O)Nc1ccccc1

BDBM70005

Cc1ccc(\C=C2\Sc3ccc(cc3NC2=O)C(=O)NCCN2CCOCC2)cc1

BDBM70006

COc1cccc2cc(C(=O)CS(=O)(=O)c3ccc(Cl)cc3)c(=O)oc12

BDBM70007

CCOC(=O)c1ccc(NS(=O)(=O)c2ccc3SCCC(=O)Nc3c2)cc1

BDBM70008

CC(C)(C)C1CCc2onc(C(=O)Nc3ccc4OCOc4c3)c2C1

BDBM70009

Cc1ccc2c(cc3n2c(C)nn(CC(=O)NCCN2CCCC2)c3=O)c1

BDBM70010

CCN1CCN(CC1)C(=O)Cn1nc(C)n2c(cc3c(OC)cccc23)c1=O

BDBM70011

COc1cccc(\C=C2\Sc3ccc(cc3NC2=O)C(=O)NCCN2CCCC2)c1

BDBM70012

Cc1nn(CC(=O)NCCCN2CCCCC2)c(=O)c2cc(nn12)-c1ccccc1

BDBM70013

CCN1CCN(CCNC(=O)c2ccc3S\C(=C\c4ccc(OC)c(OC)c4)C(=O)Nc3c2)CC1

BDBM70014

O=C(NCCCN1CCCC1)c1ccc2S\C(=C/c3ccccc3)C(=O)Nc2c1

BDBM70015

CCN(CC)Cc1c(nnn1-c1nonc1N)C(=O)NN=Cc1cccc2ccccc12

BDBM70016

Nc1nonc1-n1nnc(C(=O)NN=Cc2ccccc2)c1CN1CCc2ccccc12

BDBM70017

CCCN(CCC)Cc1c(nnn1-c1nonc1N)C(=O)NN=CCCc1ccccc1 |w:22.23|

BDBM70018

CCCN(CCC)Cc1c(nnn1-c1nonc1N)C(=O)NN=Cc1ccsc1

BDBM70019

COc1ccc(cc1)N(C(=O)c1ccncc1)S(=O)(=O)c1cccc(c1)[N+]([O-])=O

BDBM70020

COc1cc(OC)cc(c1)C(=O)NCC1CCCN(C1)C(=O)c1csc(C)n1

BDBM70021

CCc1ccc(CNC(=O)C2CCC(=O)N(CCc3ccc(Cl)cc3)C2)nc1

BDBM70022

CN(Cc1cc(C)no1)C(=O)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1

BDBM70023

Cc1ccc-2c(COc3n-2nc2cc(ccc32)C(O)=O)c1

BDBM70024

Fc1ccccc1\C=C1\Sc2ccc(cc2NC1=O)C(=O)NCCCN1CCCC1

BDBM70025

Clc1cccc(\C=C2\Sc3ccc(cc3NC2=O)C(=O)NCCCN2CCOCC2)c1

BDBM70026

O=C(NCCN1CCCCCC1)c1ccc2S\C(=C/c3ccccc3)C(=O)Nc2c1

BDBM70027

Cc1ccc(cc1)S(=O)(=O)CC(=O)c1cc2cccc(C)c2oc1=O

BDBM70028

CCN(CC)Cc1c(nnn1-c1nonc1N)C(=O)NN=Cc1cccnc1

BDBM70029

Cc1ccc(cc1)S(=O)(=O)CC(=O)Nc1ncc(s1)[N+]([O-])=O

BDBM65655

[O-][N+](=O)c1cnc(NC(=O)CCS(=O)(=O)c2ccccc2)s1

BDBM70030

COc1ccc(CN(CC(=O)NCc2ccccc2)C(=O)CCC(=O)Nc2nccs2)cc1

BDBM70031

Cc1onc(c1C(=O)NNC(=O)c1ccc(F)cc1)-c1ccccc1Cl

BDBM70032

CCn1c(SCC(=O)Nc2ccc(F)cc2)nnc1C1CC1

BDBM70033

Cc1c(nnn1-c1nonc1N)C(=O)NN=Cc1ccccn1

BDBM60935

CCn1c(SCC(=O)Nc2ccc(cc2)N(C)C)nnc1C1CC1

BDBM70034

COc1ccc(CNCC2COc3ccccc3O2)cc1

BDBM66885

O=C(NCCCN1CCCCC1)c1ccc2Sc3ccccc3C(=O)Nc2c1

BDBM70035

CCOc1ccc(CNC(=O)Cn2ccc3cc(ccc23)S(=O)(=O)N2CCCCCC2)cc1

BDBM70036

CC1CCCCC1NS(=O)(=O)c1ccc2N(C)C(=O)Cc2c1

BDBM70037

COc1cccc2cc(C(=O)CS(=O)(=O)c3ccc(C)cc3)c(=O)oc12

BDBM70038

COc1ccccc1CNC(=O)OCc1nccnc1C(=O)Nc1ccc(Br)cn1

BDBM70039

CCOc1ccccc1C=NNC(=O)c1nnn(c1CN1CCC(C)CC1)-c1nonc1N

BDBM70040

CC1CCN(Cc2c(nnn2-c2nonc2N)C(=O)NN=Cc2ccccc2O)CC1 |w:20.21|

BDBM52031

O=C(N1CCC(CC1)N1CCCCC1)c1ccc2S\C(=C/c3ccccc3)C(=O)Nc2c1

BDBM70041

CCOc1ccccc1C=NNC(=O)c1nnn(c1CN1CCCCCC1)-c1nonc1N

BDBM70042

CCCN1CCN(CCCNC(=O)Cn2nc(CC)n3c4cccc(OC)c4cc3c2=O)CC1

BDBM70043

CCCN1CCN(CCCNC(=O)Cn2nc(C)n3c4ccc(OC)cc4cc3c2=O)CC1

BDBM70044

COc1ccc(OC)c(CCNC(=O)c2ccc3c(c2)n2c([nH]c3=O)c(sc2=S)C(=O)NC(C)C)c1

BDBM70045

COc1cccc2c1cc1n2c(C)nn(CC(=O)N2CCC(C)CC2)c1=O

BDBM70046

CCCN(CCC)Cc1c(nnn1-c1nonc1N)C(=O)NN=Cc1ccc(Br)cc1

BDBM70047

CC1=C(C#N)C(=O)NC(=O)C1=NNc1ccc(cc1)S(N)(=O)=O |w:11.12,c:1|

BDBM70048

CCN(CC)Cc1c(nnn1-c1nonc1N)C(=O)NN=Cc1c(Cl)cccc1Cl

BDBM70049

CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N(C)CC(=O)Nc1ccccc1

BDBM70050

CN1CCN(CC1)C(=O)Cn1ncc2c3ccccc3[nH]c2c1=O

BDBM70051

Cc1nn(CC(=O)NCCCN2CCCCC2)c(=O)c2cccn12

BDBM70052

CCCN(CCC)Cc1c(nnn1-c1nonc1N)C(=O)NN=Cc1ccc(C)o1

BDBM70053

CCc1ccc(C=NNC(=O)c2nnn(c2CN2CCc3ccccc23)-c2nonc2N)cc1

BDBM70054

OCCOc1cccc(CN2CCC(CC2)n2nccc2NC(=O)C2CCCC2)c1

BDBM70055

CCN(CC)Cc1c(nnn1-c1nonc1N)C(=O)NN=Cc1cccs1

BDBM70056

Fc1ccc(SCC(=O)Nc2ccc(cc2)N2CCOCC2)cc1

BDBM70057

CN(CCOc1ccc(C)cc1)C(=O)C1CCC(=O)N(CCCN2CCOCC2)C1

BDBM70058

Clc1ccc(CCN2CC(CCC2=O)C(=O)NCc2ccncc2)cc1

BDBM70059

Cc1ncc(CN2CCCC(C2)C(=O)Nc2ccc(cc2)-c2cccc(F)c2)cn1

BDBM58638

CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(\C=C\c4cnc(Nc5cc(nc(C)n5)N5CCNCC5)cn4)c3)cc2C(F)(F)F)CC1

BDBM70060

CCn1c(SCC(=O)Nc2ccc(Br)cn2)nnc1C1CC1

BDBM70061

CCn1c(COc2ccccc2)nnc1SCC(=O)NC1CC1

BDBM70062

COc1cccc2cc(C(=O)OC(C)C(=O)c3ccc(C)cc3)c(=O)oc12

BDBM70063

CCCn1c(SCC(=O)Nc2ccc(Cl)cn2)nnc1C1CC1

BDBM70064

Cn1c(SCC(=O)Nc2ccc(Br)cn2)nnc1C1CC1

BDBM70065

Oc1cccc2c(NC(=S)NC(=O)c3ccco3)cccc12

BDBM70066

[O-][N+](=O)c1cnc(NC(=O)CCS(=O)(=O)Cc2ccccc2)s1

BDBM70067

CCCCC(=O)Nc1ncc(s1)S(=O)(=O)c1ccc(cc1)[N+]([O-])=O

BDBM70068

Clc1ccc(NC(=O)CSc2nnc(C3CC3)n2CC=C)nc1

BDBM70069

Cn1c(SCC(=O)Nc2ccc(Cl)cn2)nnc1C1CC1

BDBM70070

CCn1c(SCC(=O)Nc2nccs2)nnc1C1CC1

BDBM70071

Nc1nonc1-n1nnc(C(=O)NN=Cc2ccccc2F)c1CN1CCc2ccccc12

BDBM70072

CC1CCN(Cc2c(nnn2-c2nonc2N)C(=O)NN=C(C)c2cccc(Br)c2)CC1 |w:20.21|

BDBM70073

Nc1nonc1-n1nnc(C(=O)NN=Cc2ccc(OCc3ccccc3)cc2)c1CN1CCCCC1

BDBM70074

CCc1ccc(C=NNC(=O)c2nnn(c2CN2CCOCC2)-c2nonc2N)cc1

BDBM70075

CC(C)c1ccc(C=NNC(=O)c2nnn(c2CN2CCOCC2)-c2nonc2N)cc1

BDBM70076

Nc1nonc1-n1nnc(C(=O)NN=Cc2ccccc2Cl)c1CN1CCOCC1

BDBM70077

Cc1nn(CC(=O)N2CCN(CC2)c2ccccn2)c(=O)c2cc3sccc3n12

BDBM70078

CCOc1ccccc1C=NNC(=O)c1nnn(c1CN1CCCC1)-c1nonc1N

BDBM70079

CC(=NNC(=O)c1nnn(c1CN1CCc2ccccc12)-c1nonc1N)c1ccccc1O |w:2.2|

BDBM70080

Nc1nonc1-n1nnc(C(=O)NN=Cc2ccccn2)c1CNc1ccccc1

BDBM70081

COc1ccc2cc(ccc2c1)C(=O)C1CCCN(C1)C(=O)c1sc(C)nc1C

BDBM70082

FC(F)(F)c1ccc(Cl)c(c1)C(=O)N1CCC(CCC(=O)NC2CC2)CC1

BDBM70083

COc1ccc(NC(=O)c2cccc(c2)N2C(=O)c3cccc(c3C2=O)[N+]([O-])=O)cc1

BDBM70084

OC1CCN(CC1)[C@@H]1CCN(C[C@H]1O)C(=O)c1cccc(c1)-c1ccccc1

BDBM70085

Oc1ccc(cc1)C(=O)OCCCOC(=O)c1ccc(O)cc1

BDBM70086

COc1cc(SC)ccc1C(=O)OCC(=O)NCCNC(=O)COC(=O)c1ccc(SC)cc1OC

BDBM70087

COc1cccc(c1)-c1c(nnn1-c1nonc1N)C(=O)NN=C(C)c1ccncc1 |w:22.24|

BDBM70088

Nc1nonc1-n1nnc(C(=O)NN=Cc2ccoc2)c1CSc1ccccc1

BDBM70089

Nc1nonc1-n1nnc(C(=O)NN=Cc2ccoc2)c1CSc1ccc(Cl)cc1

BDBM70090

Cc1ccc(SCc2c(nnn2-c2nonc2N)C(=O)NN=Cc2ccoc2)cc1

BDBM70091

CN(Cc1c(nnn1-c1nonc1N)C(=O)NN=Cc1cccc(O)c1)C1CCCCC1

BDBM70092

COc1ccccc1C=NNC(=O)c1nnn(c1CN(C)c1ccccc1)-c1nonc1N

BDBM70093

CN(Cc1c(nnn1-c1nonc1N)C(=O)NN=Cc1cccc(F)c1)c1ccccc1

BDBM70094

CC(C)c1c(nnn1-c1nonc1N)C(=O)NN=Cc1ccoc1

BDBM70095

Nc1nonc1-n1nnc(C(=O)NN=Cc2c(F)cccc2Cl)c1-c1ccc2OCOc2c1

BDBM70096

Nc1nonc1-n1nnc(C(=O)NN=Cc2ccccn2)c1-c1ccccc1

BDBM70097

Nc1nonc1-n1nnc(C(=O)NN=Cc2cccc(O)c2)c1CN1CCCC1

BDBM61151

C\C(C=NNC(=O)c1nnn(c1CN1CCCCC1)-c1nonc1N)=C/c1ccccc1

BDBM70098

[O-][n+]1ccc(cc1)C(=O)OCCCOC(=O)c1cc[n+]([O-])cc1

BDBM70099

C[C@H](NC(=O)[C@@H]1CSC2N1C(=O)c1ccccc21)C(=O)NCc1c(F)cccc1Cl

BDBM70100

COc1ccc(CCN(C)C(=O)c2ccc(cc2)S(=O)(=O)Nc2ccccc2C)cc1OC

BDBM70101

CCc1c(C)scc1C(=O)Nc1ccccc1C(N)=O

BDBM70102

CN1CCN(CC1)NC(=O)Nc1cccc(c1)C(C)=O

BDBM70103

COc1ccc(NC(=O)NC2CCCc3ccccc23)cc1

BDBM70104

O=C(Nc1ccccc1)Nc1cnccn1

BDBM70105

Fc1ccc(NC(=O)Nc2ccc3OCOc3c2)c(F)c1

BDBM70106

COc1cccc2cc(C(=O)NCc3ccccc3Br)c(=O)oc12

BDBM70107

Cc1ccc(NC(=O)NCCCN2CCCC2=O)cc1C

BDBM70108

Clc1cccc2c(cc(nc12)-c1ccccc1)C(=O)NN=Cc1cccnc1

BDBM70109

CCN(CC)Cc1c(nnn1-c1nonc1N)C(=O)NN=Cc1ccco1

BDBM64419

CCC(NC(=S)NC1CCCCC1)c1ccccc1

BDBM70110

COc1cccc(NC(=O)NNS(=O)(=O)c2ccc(OC)cc2OC)c1

BDBM70111

CN(Cc1c(nnn1-c1nonc1N)C(=O)NN=Cc1ccccc1F)c1ccccc1

BDBM70112

Cc1cccc(COc2ccc(C=NNC(=O)c3nnn(c3CN3CCCCC3)-c3nonc3N)cc2)c1

BDBM66920

Nc1nonc1-n1nnc(C(=O)NN=Cc2ccc(Br)cc2)c1CN1CCOCC1

BDBM70113

Nc1nonc1-n1nnc(C(=O)NN=Cc2ccccc2F)c1-c1cccs1

BDBM70114

CCCOc1ccc(cc1)-c1c(nnn1-c1nonc1N)C(=O)NN=C(C)c1ccco1 |w:24.26|

BDBM70115

Cn1c(SCC(=O)NC2CCCCC2)nnc1-c1ccccn1

BDBM70116

CCCCOc1ccc(C=NNC(=O)c2nnn(c2CN2CCCCCC2)-c2nonc2N)cc1

BDBM66151

CCOc1ccc(\C=C2/CCCc3c2nc2ccccc2c3C(O)=O)cc1OC

BDBM70117

Nc1nonc1-n1nnc(C(=O)NN=Cc2ccc(OCc3ccccc3F)cc2)c1CN1CCCCC1

BDBM70118

COc1ccc(cc1OC)C(=O)NCC(=O)NN=Cc1ccc(C)o1

BDBM70119

Oc1ccccc1C(=O)OCCCOC(=O)c1ccccc1O

BDBM70120

Cc1ccnc(NC(=O)c2ccc(s2)[N+]([O-])=O)c1

BDBM70121

COc1cccc2cc(C(=O)NCc3ccc(C)cc3)c(=N)oc12

BDBM70122

COc1ccc(cc1)C(=O)NC(=S)NC1CCCCC1

BDBM70123

CC(=NNC(=O)c1ccc(o1)C(=O)NN=C(C)c1ccco1)c1ccco1 |w:14.14,2.2|

BDBM70124

CC(=O)c1sc(NC(=O)CCNC(=O)c2ccco2)nc1-c1ccccc1

BDBM53340

NS(=O)(=O)c1ccc(cc1)-c1ccc(\C=C2/NC(=S)NC2=O)o1

BDBM53341

Cc1ccc(NC(=O)COc2ccc(\C=C3\C(=O)NC(=O)N(CC=C)C3=O)cc2)cc1

BDBM70125

CCOc1cccc(c1)-c1c(nnn1-c1nonc1N)C(=O)NN=C(C)c1cccs1 |w:23.25|

BDBM70126

CC(=O)Nc1ccc(cc1)C(=O)OCCCOC(=O)c1ccc(NC(C)=O)cc1

BDBM70127

CC1CN(CC(C)O1)C(=O)CCc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C

BDBM70128

CC(=O)c1ccc(NC(=O)NNS(=O)(=O)c2ccc(cc2)[N+]([O-])=O)cc1

BDBM70129

Cc1ccnc(NC(=O)C2CN(C(=O)C2)c2ccc3OCCOc3c2)c1

BDBM70130

Cc1coc2cc3oc(=O)c(CCC(=O)NCCCN4CCCC4=O)c(C)c3cc12

BDBM70131

[H][C@]12CN(C[C@]([H])(C1)c1cccc(=O)n1C2)C(=O)Cc1ccc(OC)cc1 |TLB:9:8:7:3.2.4|

BDBM70132

CC(=O)Nc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)Cc1cc2ccccc2[nH]c1=O

BDBM70133

COc1ccc2c(C)c(CC(=O)N3CCN(CC3)C(=O)C3COc4ccccc4O3)c(=O)oc2c1

BDBM70134

CN(Cc1c(nnn1-c1nonc1N)C(=O)NN=Cc1ccc(O)cc1)C1CCCCC1 |w:17.18|

BDBM70135

COc1ccc(c(OC)c1)S(=O)(=O)Nc1c([nH]c2ccc(OC)cc12)C(O)=O

BDBM70136

[O-][N+](=O)c1cnc(NC(=O)c2ccco2)s1

BDBM70137

O=C1CN=C(c2c3CCCCc3sc2N1)c1ccccc1 |c:3|

BDBM50209100

COC(=O)c1ccc(cc1)O

BDBM70138

Brc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1cc(nc2ncnn12)-c1ccccc1

BDBM70139

COc1ccccc1-c1nc(cc2c3ccccc3[nH]c12)C(=O)NCC1CCCO1

BDBM61258

Nc1ncnc2n(cnc12)C1OC(COP(O)([O-])=O)C(O)C1O

BDBM18137

c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N

BDBM70141

Cc1ccc(cc1)N1CC(CC1=O)C(=O)Nc1c2CS(=O)(=O)Cc2nn1C(C)(C)C

BDBM70142

CC(=O)N1CCc2c(C1)sc(NC(=O)C1COc3ccccc3O1)c2C(N)=O

BDBM70143

CNC(=O)c1ccsc1NC(=O)C1CCN(CC1)S(=O)(=O)c1ccc(Cl)s1

BDBM70144

Clc1cccc(c1)C(=O)NCC(N1CCOCC1)c1ccco1

BDBM70145

Fc1ccc(cc1)N1CCN(CC1)C(CNC(=O)c1ccc2OCOc2c1)c1ccco1

BDBM70146

FC(F)(F)c1cccc(c1)C(=O)NCc1nnc(SCC(=O)NC2CCCCC2)o1

BDBM70147

Clc1ccccc1C(=O)NCC(N1CCc2ccccc2C1)c1ccco1

BDBM70148

Cc1ccc2sc(nc2c1C)N1CCN(CCNC(=O)c2ccco2)CC1

BDBM70149

CC(=O)N1CCc2c(C1)sc(NC(=O)CCS(=O)(=O)c1ccccc1)c2C(N)=O

BDBM70150

CS(=O)(=O)c1ccccc1-c1nnc(NC(=O)c2ccc3ncsc3c2)o1

BDBM70151

CC(=O)N1CCc2c(C1)sc(NC(=O)CS(=O)(=O)c1ccc(F)cc1)c2C(N)=O

BDBM70152

CN(C)CCN(C(=O)c1ccc(cc1)S(=O)(=O)N(C)CC1CCCO1)c1nc2c(C)cc(C)cc2s1

BDBM70153

Cn1cc(c(=O)n(C)c1=O)S(=O)(=O)NCc1ccc(F)cc1

BDBM70154

Cc1cccn2c1nc(SCC(=O)NC1CCCCC1)nc2=O

BDBM70155

COc1cccc(c1)-c1ccc2nnc(SCC(=O)Nc3ccc(NC(C)=O)cc3)n2n1

BDBM70156

Cc1ccccc1NC(=O)CSc1nnc2ccc(nn12)-c1ccncc1

BDBM70157

CCCc1cc(=O)[nH]c2nnc(SCC(=O)Nc3nccs3)n12

BDBM70158

Clc1ccc(Cl)c(c1)-c1nnc(NC(=O)c2ccco2)o1

BDBM70159

CC(=O)N1CCc2c(C1)sc(NC(=O)CCS(=O)(=O)c1ccc(C)cc1)c2C(N)=O

BDBM70160

COc1ccc(C)cc1S(=O)(=O)Nc1cc2CCN3c2c(CCC3=O)c1

BDBM70161

CCCCCCSc1ccc(cc1)[C@H]1N[C@](CC(C)C)([C@@H]2[C@H]1C(=O)N(C)C2=O)C(=O)OC

BDBM70162

CCN1C(=O)[C@H]2[C@H](N[C@](CC(C)C)([C@H]2C1=O)C(=O)OC)c1ccc(cc1)-c1ccccc1

BDBM70163

CCN(CC)C(=O)Cn1cc(C(=O)C(=O)Nc2ccc3OCCOc3c2)c2ccccc12

BDBM70164

NS(=O)(=O)c1ccc(CCNC(=O)C(=O)c2cn(CC(=O)N3CCCC3)c3ccccc23)cc1

BDBM70165

Fc1cccc(F)c1C(=O)NCC(N1CCc2ccccc12)c1ccco1

BDBM70166

C[C@H]1[C@H](O[C@H](N1C)c1ccccc1Br)c1ccccc1

BDBM70167

OC(c1ccccc1)c1ccncc1

BDBM70168

Oc1c(C(=O)NCCCN2CCCC2=O)c(=O)nc2sccn12

BDBM70169

Cc1cccc(c1)C(=O)NCC(N1CCc2ccccc12)c1ccco1

BDBM70170

Fc1ccc(cc1)N1CCN(CC1)C(CNC(=O)c1cccs1)c1ccco1

BDBM70171

COc1ccc(cc1)S(=O)(=O)NCC(N1CCOCC1)c1ccc2OCOc2c1

BDBM70172

CCN(CC)CCNC(=O)C(=O)Nc1ccc2CCCN(c2c1)S(=O)(=O)c1cccs1

BDBM53367

CC(=O)N1CCc2c(C1)sc(NC(=O)C1CCCN1S(=O)(=O)c1cccs1)c2C(N)=O

BDBM70173

CC1CN(CC(C)O1)S(=O)(=O)c1ccc(cc1)C(=O)N(CCN(C)C)c1nc2c(C)c(C)ccc2s1

BDBM70174

Fc1ccc(CNC(=O)CSc2nnc(CNC(=O)c3c(F)cccc3F)o2)cc1

BDBM70175

Fc1ccc(cc1)-n1ncc2c(SCC(=O)NCC3CCCO3)ncnc12

BDBM70176

[O-][N+](=O)c1cccc(c1)C(=O)NCC(N1CCc2ccccc12)c1ccco1

BDBM70177

COc1cccc(c1)C(=O)NCC(N1CCc2ccccc2C1)c1ccco1

BDBM70178

CC(C)N1CCc2c(C1)sc(NC(=O)CCS(=O)(=O)c1ccccc1)c2C(N)=O

BDBM70179

COCCOc1ccc(cc1NC(=O)COC(=O)c1cc[n+]([O-])cc1)C(F)(F)F

BDBM70180

COc1cccc(NC(=O)CN(C)C(=O)c2cc(nc3ccccc23)-c2ccc(F)cc2)c1

BDBM70181

CC1CCCC(NC(=O)C2CCN(CC2)C(=O)Nc2ccccc2)C1C

BDBM70182

Fc1ccc(OC(=O)c2ccc3c(c2)nc2CCCn2c3=O)cc1F

BDBM70183

CCN1CCN(CC1)c1ccc(cc1NC(=O)c1ccc(Cl)cc1Cl)S(=O)(=O)N1CCOCC1

BDBM70184

COc1ccc2nc(NC(=O)CSc3nnc(N)[nH]3)sc2c1

BDBM70185

Cc1ccc(NC(=O)c2ccc(C)c(c2)S(=O)(=O)N2CCCCC2)nc1

BDBM70186

CCCCCC(=O)N1CCN(CC1)S(=O)(=O)c1ccc2OCCCOc2c1

BDBM70187

Cc1cc(C)n2nc(nc2n1)C(=O)OCC(=O)NC(=O)c1ccccc1

BDBM70188

CC(C)N(Cc1nnc(o1)-c1ccc(Cl)cc1)C(=O)C1=COCCO1 |t:21|

BDBM70189

COc1ccc(COC(=O)c2cccc(c2)S(=O)(=O)N2CCN(CC2)C(C)=O)cc1

BDBM70190

CCCOC(=O)c1ccc(cc1)O

BDBM84529

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

BDBM84530

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

BDBM84531

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

BDBM84532

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

BDBM84533

[O-][N+](=O)c1ccc2[nH]c-3c(CC(=O)Nc4ccc(CCC#N)cc-34)c2c1

BDBM85758

Cc1ccc(cc1)-c1csc2C(=O)c3cccn3-c12

BDBM85759

COc1cccc(c1)-c1csc2C(=O)c3cccn3-c12

BDBM85760

CCOc1ccc(cc1)-c1csc2C(=O)c3cccn3-c12

BDBM50240449

COc1ccc(cc1OCc1ccccc1)-c1csc2C(=O)c3cccn3-c12

BDBM50103203

COc1ccc(cc1O)-c1csc2C(=O)c3cccn3-c12

BDBM85761

CC(=O)Oc1ccc(cc1OC(C)=O)-c1csc2C(=O)c3cccn3-c12

BDBM85762

CCC(=O)Oc1ccc(cc1OC(=O)CC)-c1csc2C(=O)c3cccn3-c12

BDBM85763

[O-]C(=O)Oc1ccc(cc1OC([O-])=O)-c1csc2C(=O)c3cccn3-c12

BDBM85764

COc1ccc(cc1OC(C)=O)-c1csc2C(=O)c3cccn3-c12

BDBM85765

CCOC(=O)Oc1cc(ccc1OC)-c1csc2C(=O)c3cccn3-c12

BDBM85766

COc1ccc(cc1OC(=O)C(C)(C)C)-c1csc2C(=O)c3cccn3-c12

BDBM85767

COc1ccc(cc1OC(=O)CCCC(O)=O)-c1csc2C(=O)c3cccn3-c12

BDBM85768

O=C1c2cscc2-n2cccc12

BDBM85769

COc1ccc(cc1OCc1ccccc1)-c1csc2C(O)c3cccn3-c12

BDBM85770

COc1ccc(cc1O)-c1csc2C(O)c3cccn3-c12

BDBM25036

Cc1ccc(cc1S(=O)(=O)N(C)/N=C/c2cnc3n2cc(cc3)Br)[N+](=O)[O-]

BDBM92346

CCn1c(nc2cnc(NC(=O)c3ccc(OCCN4CCOCC4)cc3)cc12)-c1nonc1N

BDBM13533

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

BDBM16673

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

BDBM92347

CCC(=O)Nc1ccc2ncnc(Nc3ccc(NC(=O)Nc4cc(nn4-c4cccc(N)c4)C(C)(C)C)cc3)c2c1

BDBM92348

CN(C)CCCC(=O)Nc1ccc2ncnc(Nc3ccc(NC(=O)Nc4cc(nn4-c4cccc(N)c4)C(C)(C)C)cc3)c2c1

BDBM92349

CN1CCN(CCC(=O)Nc2ccc3ncnc(Nc4ccc(NC(=O)Nc5cc(nn5-c5cccc(N)c5)C(C)(C)C)cn4)c3c2)CC1

BDBM92350

CC(C)(C)c1cc(NC(=O)Nc2ccc(Nc3ncnc4ccc(NC(=O)CCN5CCOCC5)cc34)nc2)n(n1)-c1cccc(N)c1

BDBM50362099

Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1nc(CCOCc2ccncc2)cs1)C(C)(C)C

BDBM92352

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

BDBM14847

CC(C)(C)c1cc(NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)n(n1)-c1cccc(N)c1

BDBM50115209

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

BDBM31824

CC(C)(C)c1cc(NC(=O)Nc2ccc(Cl)cc2)n(n1)-c1cccc(N)c1

BDBM92353

CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(c(Cl)cc3OCCCC(O)=O)C(F)(F)F)cc2)ccn1

BDBM92354

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

BDBM92355

O=S(=O)(Nc1cccc(Nc2nccc(n2)-c2cccnc2)c1)c1cccc2cnccc12

BDBM50290417

O=C(Nc1cccc(Nc2nccc(n2)-c2cccnc2)c1)c1cccnc1

BDBM92356

Nc1nc(NCCNc2ncc(c(n2)-c2ccc(Cl)cc2Cl)-n2ccnc2)ccc1N(=O)=O

BDBM50322535

Cc1ccc(cc1C#Cc2cnc3n2nccc3)C(=O)Nc4ccc(c(c4)C(F)(F)F)CN5CCN(CC5)C

BDBM25115

c1c(cc(c(c1F)COc2c(c(sn2)NC(=O)NCCCCN3CCCC3)C(=O)N)F)Br

BDBM93227

COc1ccc(cc1OC)-c1cc2c(nc[nH]c2=O)s1

BDBM97717

Nc1nc(NCCNc2nc(cn3ccnc23)-c2ccc(Cl)cc2Cl)sc1C#N

BDBM97718

OC(=O)c1cc2c(NCCNc3ccc(cn3)C#N)nc(cn2n1)-c1ccc(Cl)cc1Cl

BDBM97719

CN1CCN(CCNC(=O)c2cc3c(NCCNc4ccc(cn4)C#N)nc(cn3n2)-c2ccc(Cl)cc2Cl)CC1

BDBM97720

Cc1nc(C)n2nc(nc(NCCNc3ccc(cn3)C#N)c12)-c1ccccc1

BDBM97721

CCOC(=O)c1cc2c(nc(cn2n1)-c1ccc(Cl)cc1Cl)N1CCCC(C1)Nc1nc(N)c(s1)C(C)=O

BDBM97722

Nc1nc(NC2CCCN(C2)c2nc(cn3nc(cc23)C(O)=O)-c2ccc(Cl)cc2Cl)sc1C#N

BDBM97723

Nc1nc(NCCNc2nc(cn3nc(cc23)C(=O)NCC(O)=O)-c2ccc(Cl)cc2Cl)sc1C#N

BDBM97724

Clc1ccc(c(Cl)c1)-c1cn2nc(CNC3CC3)cc2c(NCCNc2ccc(cn2)C#N)n1

BDBM118093

Cc1nc(nc(Nc2n[nH]c3ncc(F)cc23)c1C)C1CCCCC1

BDBM118094

Cc1nc(Nc2n[nH]c3ncc(F)cc23)cc(n1)C1CCC(F)(F)CC1

BDBM118095

Cc1nc(nc(Nc2n[nH]c3ncc(F)cc23)c1C)C1CCOCC1

BDBM118096

Cc1cc(Nc2n[nH]c3ncc(F)cc23)nc(n1)C1CCCCCC1

BDBM118097

Cc1cc(Nc2n[nH]c3ncc(F)cc23)nc(n1)C1CCCC1

BDBM118098

Cc1cc(Nc2n[nH]c3ncc(F)cc23)nc(n1)C1CCCCC1

BDBM118099

Cc1cc(Nc2n[nH]c3ccc(F)cc23)nc(n1)C1CCOCC1

BDBM118101

Cc1cc(Nc2n[nH]c3ncc(F)cc23)nc(n1)C1CCOCC1

BDBM118102

C[C@H]1CCCC[C@@H]1c1nc(C)cc(Nc2n[nH]c3ncc(F)cc23)n1 |r|

BDBM118103

Cc1cc(Nc2c[nH]c3ncc(F)cc23)nc(n1)C12CC3CC(CC(C3)C1)C2 |TLB:25:24:27:21.20.19,25:20:27:24.26.23,THB:26:24:21:27.18.19,26:18:21:24.25.23|

BDBM118104

CC(C)(O)c1cc(Nc2n[nH]c3ncc(F)cc23)nc(n1)C1CCCCC1

BDBM118105

Cc1cc(Nc2n[nH]c3ccc(F)cc23)nc(n1)C1CCCCC1

BDBM119688

O=C(NCc1ccccc1)Nc1cccc2ccccc12

BDBM119689

O=C(NCc1ccccc1)Nc1ccc2OCOc2c1

BDBM122533

Fc1cnc2[nH]nc(Nc3cc(cc(n3)-c3ccccc3Cl)C(F)(F)F)c2c1

BDBM122534

Cc1cc(Nc2n[nH]c3ncc(F)cc23)nc(c1C)-c1ccccc1Cl

BDBM122535

Cc1cc(Nc2n[nH]c3ncc(F)cc23)nc(c1)-c1ccccc1Cl

BDBM122536

Cc1cc(nc(Nc2n[nH]c3ncc(F)cc23)c1C)-c1ccccc1Cl

BDBM122537

Cc1cc(Nc2n[nH]c3ncc(F)cc23)nc(-c2ccccc2)c1C

BDBM47165

COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1cn(CCCO)c2ccccc12 |t:13|

BDBM47167

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

BDBM47163

COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1cn(CCCNC(=O)C(N)CC(C)C)c2ccccc12 |t:13|

BDBM147461

COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1cn(CCCOC(=O)C(N)CC(C)C)c2ccccc12 |t:13|

BDBM147463

COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1cn(CCOC(=O)C(N)CC(C)C)c2ccccc12 |t:13|

BDBM50300205

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

BDBM152552

COc1cc2c3C(=O)NC(=O)c3cc(CNC3CCN(CC3)S(=O)(=O)c3ccc(C)cc3)c2cc1OC

BDBM152553

COc1ccc(cc1)S(=O)(=O)N1CCC(CC1)NCc1cc2C(=O)NC(=O)c2c2cc(OC)c(OC)cc12

BDBM152554

COc1cc2c3C(=O)NC(=O)c3cc(CNC3CCN(CC3)S(=O)(=O)c3ccc(cc3)[N+]([O-])=O)c2cc1OC

BDBM152555

COc1cc2c3C(=O)NC(=O)c3cc(CNC3CCN(CC3)S(C)(=O)=O)c2cc1OC

BDBM152556

COc1cc2c3C(=O)NC(=O)c3cc(CNC3CCN(CC3)S(=O)(=O)c3ccc(cc3)C(F)(F)F)c2cc1OC

BDBM152557

COc1cc2c3C(=O)NC(=O)c3cc(CNC3CCN(CC3)S(=O)(=O)c3ccccc3[N+]([O-])=O)c2cc1OC

BDBM152558

COc1cc2c3C(=O)NC(=O)c3cc(CNC3CCN(CC3)S(=O)(=O)c3ccccc3)c2cc1OC

BDBM152559

COc1cc2c3C(=O)NC(=O)c3cc(CNC3CCN(CC3)S(=O)(=O)c3cccc4cccnc34)c2cc1OC

BDBM152560

COc1cc2c3C(=O)NC(=O)c3cc(CNC3CCN(CC3)S(=O)(=O)c3cccs3)c2cc1OC

BDBM155155

Cn1c(OC2CCCN(C2)c2ccccc2)nc(cc1=O)-c1ccncn1

BDBM155156

COC(=O)N1CCCC(C1)Oc1nc(cc(=O)n1C)-c1ccncn1

BDBM155157

Cn1c(OC2CCCN(C2)c2ccccc2F)nc(cc1=O)-c1ccncn1

BDBM155158

Cn1c(OC2CCCN(C2)c2cccc(F)c2)nc(cc1=O)-c1ccncn1

BDBM155159

Cn1c(OC2CCCN(C2)c2ccc(F)cc2)nc(cc1=O)-c1ccncn1

BDBM155160

COc1cccc(c1)N1CCCC(C1)Oc1nc(cc(=O)n1C)-c1ccncn1

BDBM155161

COc1ccc(cc1)N1CCCC(C1)Oc1nc(cc(=O)n1C)-c1ccncn1

BDBM155162

Cn1c(OC2CCCN(C2)c2ccccn2)nc(cc1=O)-c1ccncn1

BDBM155163

Cn1c(OC2CCCN(C2)S(=O)(=O)c2ccccc2)nc(cc1=O)-c1ccncn1

BDBM155164

Cn1c(OC2CCN(CC2)C(=O)OCc2ccccc2)nc(cc1=O)-c1ccncn1

BDBM155165

Cc1ccc(cc1)S(=O)(=O)N1CCC(CC1)Oc1nc(cc(=O)n1C)-c1ccncn1

BDBM155166

Cn1c(OC2CCN(CC2)C(=O)Oc2ccccc2)nc(cc1=O)-c1ccncn1

BDBM155167

Cn1c(OC2CCN(CC2)c2ccc(CN3CCN(CC3)C(=O)OC(C)(C)C)cc2)nc(cc1=O)-c1ccncn1

BDBM155168

Cn1c(OC2CCN(CC2)c2ccc(CN3CCNCC3)cc2)nc(cc1=O)-c1ccncn1

BDBM155169

CN1CCN(Cc2ccc(cc2)N2CCC(CC2)Oc2nc(cc(=O)n2C)-c2ccncn2)CC1

BDBM155170

Cn1c(OC2CCNCC2)nc(cc1=O)-c1ccncc1F

BDBM155171

Cn1c(OC2CCN(CC2)c2ccccc2)nc(cc1=O)-c1ccncn1

BDBM155172

Cc1ccccc1N1CCC(CC1)Oc1nc(cc(=O)n1C)-c1ccncn1

BDBM155173

Cn1c(OC2CCN(CC2)c2ccc(cc2)-c2ccncc2)nc(cc1=O)-c1ccncc1F

BDBM155174

Cn1c(OC2CCN(CC2)c2ccc(cc2)N2CCNCC2)nc(cc1=O)-c1ccncn1

BDBM155175

CN1CCN(CC1)c1ccc(cc1)N1CCC(CC1)Oc1nc(cc(=O)n1C)-c1ccncn1

BDBM155176

CC(=O)N1CCN(CC1)c1ccc(cc1)N1CCC(CC1)Oc1nc(cc(=O)n1C)-c1ccncn1

BDBM155177

Cn1c(OC2CCN(CC2)c2ccc(cc2)N2CCN(CC2)C(=O)OC(C)(C)C)nc(cc1=O)-c1ccncn1

BDBM155178

CC(=O)N1CCN(Cc2ccc(cc2)N2CCC(CC2)Oc2nc(cc(=O)n2C)-c2ccncn2)CC1

BDBM155179

Cn1c(OC2CCN(CC2)c2ccc(CN3CCOCC3)cc2)nc(cc1=O)-c1ccncn1

BDBM155180

Cn1c(OC2CCN(CC2)c2ccc(CN3CCCCC3)cc2)nc(cc1=O)-c1ccncn1

BDBM155181

Cn1c(OC2CCN(CC2)c2ccc(CN3CCCCC3)cc2)nc(cc1=O)-c1ccncc1

BDBM155182

Cn1c(OC2CCN(CC2)c2ccc(CN3CCCCC3)cc2)nc(cc1=O)-c1ccncc1F

BDBM155183

Cn1c(OC2CCN(CC2)c2ccc(CN3CCCC3)cc2)nc(cc1=O)-c1ccncn1

BDBM155184

Cn1c(OC2CCN(CC2)c2ccc(CN3CCCC3=O)cc2)nc(cc1=O)-c1ccncc1F

BDBM155185

Cn1c(OC2CCN(CC2)c2ccc(CN3Cc4ccccc4C3)cc2)nc(cc1=O)-c1ccncn1

BDBM155186

CN(C)Cc1ccc(cc1)N1CCC(CC1)Oc1nc(cc(=O)n1C)-c1ccncn1

BDBM155187

Cn1c(OC2CCN(CC2)c2cccc(CN3CCOCC3)c2)nc(cc1=O)-c1ccncn1

BDBM155188

CN1CCN(Cc2cccc(c2)N2CCC(CC2)Oc2nc(cc(=O)n2C)-c2ccncn2)CC1

BDBM38219

Cn1c(OC2CCN(CC2)c2cccc(CN3CCCCC3)c2)nc(cc1=O)-c1ccncn1

BDBM155190

Cn1c(OC2CCN(CC2)c2cccnc2)nc(cc1=O)-c1ccncn1

BDBM155191

Cn1c(OC2CCN(CC2)c2ccc3CNCc3c2)nc(cc1=O)-c1ccncn1

BDBM155192

CN1Cc2ccc(cc2C1)N1CCC(CC1)Oc1nc(cc(=O)n1C)-c1ccncn1

BDBM155193

Cn1c(OC2CCN(CC2)c2ccc3CN(Cc4ccccc4)Cc3c2)nc(cc1=O)-c1ccncn1

BDBM155189

Cn1c(OC2CCN(CC2)c2ccc(s2)[N+]([O-])=O)nc(cc1=O)-c1ccncn1

BDBM155195

Cn1c(OC2CCN(CC2)c2cncnc2)nc(cc1=O)-c1ccncc1F

BDBM155196

CC(=O)N1Cc2ccc(cc2C1)N1CCC(CC1)Oc1nc(cc(=O)n1C)-c1ccncn1

BDBM155197

Cn1c(OC2CCN(C2)c2ccc(CN3CCCCC3)cc2)nc(cc1=O)-c1ccncn1

BDBM155198

Cn1c(OCC2CCN(CC2)c2ccc(CN3CCCCC3)cc2)nc(cc1=O)-c1ccncc1

BDBM155199

Cn1c(OCC2CCN(CC2)c2ccc(CN3CCCCC3)cc2)nc(cc1=O)-c1ccncn1

BDBM155200

Cn1c(OCC2CCN(CC2)c2ccc(CN3CCCCC3)cc2)nc(cc1=O)-c1ccncc1F

BDBM155201

Cn1c(OC2CCN(CC2)c2ccccc2CN2CCOCC2)nc(cc1=O)-c1ccncn1

BDBM155202

CN1CCN(Cc2ccccc2N2CCC(CC2)Oc2nc(cc(=O)n2C)-c2ccncn2)CC1

BDBM155203

Cn1c(OC2CCN(CC2)c2ccccc2CN2CCCCC2)nc(cc1=O)-c1ccncn1

BDBM155204

Cn1c(OC2CCN(CC2)c2ccccc2CN2Cc3ccccc3C2)nc(cc1=O)-c1ccncn1

BDBM155205

CN(C)Cc1ccccc1N1CCC(CC1)Oc1nc(cc(=O)n1C)-c1ccncn1

BDBM155206

Cn1c(OC2CCN(CC2)c2ccc3NC(=O)OCc3c2)nc(cc1=O)-c1ccncn1

BDBM155207

Cn1c(OC2CCN(CCC3CCNCC3)CC2)nc(cc1=O)-c1ccncn1

BDBM155208

Cn1c(OC2CCN(CCC3CCN(Cc4ccccc4)CC3)CC2)nc(cc1=O)-c1ccncn1

BDBM155209

CN1CCC(CCN2CCC(CC2)Oc2nc(cc(=O)n2C)-c2ccncn2)CC1

BDBM155210

Cn1c(OC2CCN(Cc3ccccc3)CC2)nc(cc1=O)-c1ccncn1

BDBM155211

CN1CCC(CC1)N1CCC(CC1)Oc1nc(cc(=O)n1C)-c1ccncn1

BDBM155212

CN(C)Cc1ccc(cc1)C(=O)N1CCC(CC1)Oc1nc(cc(=O)n1C)-c1ccncn1

BDBM155213

Cn1c(OC2CCCN(CC2)c2ccc(cc2)C#N)nc(cc1=O)-c1ccncn1

BDBM155214

CC1CCCCC1Oc1nc(cc(=O)n1C)-c1ccncn1

BDBM155215

Cn1c(OC2CCCCC2)nc(cc1=O)-c1ccncn1

BDBM155216

CCC1CCCCC1Oc1nc(cc(=O)n1C)-c1ccncn1

BDBM155217

Cn1c(OC2CCCC2)nc(cc1=O)-c1ccncn1

BDBM155218

Cn1c(OCCOc2ccccc2)nc(cc1=O)-c1ccncc1

BDBM155219

Cn1c(OCCSc2ccccc2)nc(cc1=O)-c1ccncc1

BDBM155220

Cn1c(OCCNc2ccccc2)nc(cc1=O)-c1ccncc1

BDBM155221

CCN(CCOc1nc(cc(=O)n1C)-c1ccncc1F)c1cccc(C)c1

BDBM155222

CCN(CCOc1nc(cc(=O)n1C)-c1ccncn1)c1cccc(C)c1

BDBM155223

Cn1c(OCCCc2cccnc2)nc(cc1=O)-c1ccncn1

BDBM155224

Cn1c(O[C@H]2CC[C@@H](CC2)c2ccc(CO)cc2)nc(cc1=O)-c1ccncn1 |r,wU:7.10,wD:4.3,(5.33,-4.62,;5.33,-3.08,;4,-2.31,;2.67,-3.08,;1.33,-2.31,;1.33,-.77,;;-1.33,-.77,;-1.33,-2.31,;,-3.08,;-2.67,,;-2.67,1.54,;-4,2.31,;-5.33,1.54,;-6.67,2.31,;-8,1.54,;-5.33,,;-4,-.77,;4,-.77,;5.33,,;6.67,-.77,;6.67,-2.31,;8,-3.08,;5.33,1.54,;4,2.31,;4,3.85,;5.33,4.62,;6.67,3.85,;6.67,2.31,)|

BDBM155225

Cn1c(O[C@H]2CC[C@H](CC2)c2ccc(CO)cc2)nc(cc1=O)-c1ccncn1 |r,wU:4.3,7.10,(5.33,-4.62,;5.33,-3.08,;4,-2.31,;2.67,-3.08,;1.33,-2.31,;,-3.08,;-1.33,-2.31,;-1.33,-.77,;;1.33,-.77,;-2.67,,;-2.67,1.54,;-4,2.31,;-5.33,1.54,;-6.67,2.31,;-8,1.54,;-5.33,,;-4,-.77,;4,-.77,;5.33,,;6.67,-.77,;6.67,-2.31,;8,-3.08,;5.33,1.54,;4,2.31,;4,3.85,;5.33,4.62,;6.67,3.85,;6.67,2.31,)|

BDBM155226

CN1CCN(Cc2ccc(cc2)[C@H]2CC[C@@H](CC2)Oc2nc(cc(=O)n2C)-c2ccncn2)CC1 |r,wU:12.12,wD:15.19,(-10,-.77,;-8.67,,;-8.67,1.54,;-7.34,2.31,;-6,1.54,;-4.67,2.31,;-3.33,1.54,;-2,2.31,;-.67,1.54,;-.67,,;-2,-.77,;-3.33,,;.67,-.77,;2,,;3.33,-.77,;3.33,-2.31,;2,-3.08,;.67,-2.31,;4.67,-3.08,;6,-2.31,;6,-.77,;7.34,,;8.67,-.77,;8.67,-2.31,;10,-3.08,;7.34,-3.08,;7.34,-4.62,;7.34,1.54,;6,2.31,;6,3.85,;7.34,4.62,;8.67,3.85,;8.67,2.31,;-6,,;-7.34,-.77,)|

BDBM155227

CN1CCN(Cc2ccc(cc2)[C@@H]2CC[C@@H](CC2)Oc2nc(cc(=O)n2C)-c2ccncn2)CC1 |r,wU:15.19,12.12,(-10,-.77,;-8.67,,;-8.67,1.54,;-7.34,2.31,;-6,1.54,;-4.67,2.31,;-3.33,1.54,;-2,2.31,;-.67,1.54,;-.67,,;-2,-.77,;-3.33,,;.67,-.77,;.67,-2.31,;2,-3.08,;3.33,-2.31,;3.33,-.77,;2,,;4.67,-3.08,;6,-2.31,;6,-.77,;7.34,,;8.67,-.77,;8.67,-2.31,;10,-3.08,;7.34,-3.08,;7.34,-4.62,;7.34,1.54,;6,2.31,;6,3.85,;7.34,4.62,;8.67,3.85,;8.67,2.31,;-6,,;-7.34,-.77,)|

BDBM155228

CCCCCCc1ccc(Oc2nc(cc(=O)n2C)-c2ccncn2)cc1

BDBM155229

Cn1c(OCCc2ccccc2)nc(cc1=O)-c1ccncc1

BDBM155230

CCCCCCOc1nc(cc(=O)n1C)-c1ccncc1

BDBM155231

Cn1c(O[C@@H]2C[C@@H]3CC[C@H](C2)N3)nc(cc1=O)-c1ccncn1 |r|

BDBM155232

Cn1c(O[C@@H]2C[C@@H]3CC[C@H](C2)N3c2ccc(F)cc2)nc(cc1=O)-c1ccncn1 |r,THB:12:11:4.5.10:8.7|

BDBM155233

Cn1c(OC[C@H]2CCCN2C(=O)Oc2ccccc2)nc(cc1=O)-c1ccncn1 |r|

BDBM155234

Cn1c(OC[C@H]2CCCN2c2ccc(F)cc2)nc(cc1=O)-c1ccncn1 |r|

BDBM155235

Cn1c(OC[C@H]2CCCN2c2ccc(F)cc2)nc(cc1=O)-c1ccncc1F |r|

BDBM155236

Cn1c(OC[C@@H]2CCCN2c2ccc(F)cc2)nc(cc1=O)-c1ccncn1 |r|

BDBM155237

Cn1c(OC[C@@H]2CCCN2c2ccc(F)cc2)nc(cc1=O)-c1ccncc1F |r|

BDBM155238

Cn1c(OC[C@H]2CCN(C2)c2ccsc2)nc(cc1=O)-c1ccncc1F |r|

BDBM155239

Cn1c(OC[C@H]2CCN(C2)c2ccsc2)nc(cc1=O)-c1ccncn1 |r|

BDBM155240

Cn1c(OC[C@@H]2CCN(C2)c2ccsc2)nc(cc1=O)-c1ccncc1F |r|

BDBM155241

Cn1c(OC[C@H]2CCN(C2)c2ccccc2)nc(cc1=O)-c1ccncn1 |r|

BDBM155242

Cn1c(OC[C@H]2CCN(C2)c2ccccc2)nc(cc1=O)-c1ccncc1F |r|

BDBM155243

Cn1c(OC[C@@H]2CCN(C2)c2ccccc2)nc(cc1=O)-c1ccncc1F |r|

BDBM155244

Cn1c(OCC(=O)c2ccccc2)nc(cc1=O)-c1ccncn1

BDBM155245

Cn1c(OCCc2ccccc2)nc(cc1=O)-c1ccncn1

BDBM155246

Cn1c(OCC(=O)c2ccc(Br)cc2)nc(cc1=O)-c1ccncc1F

BDBM155247

Cn1c(OCC(=O)c2ccc(Br)cc2)nc(cc1=O)-c1ccncc1

BDBM155248

Cn1c(OCC(=O)c2ccc(Br)cc2)nc(cc1=O)-c1ccncn1

BDBM155249

Cn1c(OCCc2ccc(CN3CCCCC3)cc2)nc(cc1=O)-c1ccncc1

BDBM155250

CN(C)Cc1ccc(CCOc2nc(cc(=O)n2C)-c2ccncc2)cc1

BDBM155251

Cn1c(OCC2(OCCO2)c2ccccc2)nc(cc1=O)-c1ccncn1

BDBM155252

Cn1c(OCC(OC2CCCCO2)c2ccccc2)nc(cc1=O)-c1ccncn1

BDBM164883

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

BDBM164884

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

BDBM2579

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

BDBM166601

O=C1NC(=O)C(=C1c1c[nH]c2ccccc12)c1coc2ncccc12 |c:5|

BDBM166602

Cn1cc(C2=C(C(=O)NC2=O)c2coc3ncccc23)c2ccccc12 |t:4|

BDBM166603

Cc1cccc2c(cn(C)c12)C1=C(C(=O)NC1=O)c1coc2ncccc12 |t:13|

BDBM166604

Cn1cc(C2=C(C(=O)NC2=O)c2coc3ncccc23)c2cc(F)ccc12 |t:4|

BDBM166605

Cn1cc(C2=C(C(=O)NC2=O)c2coc3ncccc23)c2ccc(F)cc12 |t:4|

BDBM166606

Cn1cc(C2=C(C(=O)NC2=O)c2coc3ncccc23)c2cc(Cl)ccc12 |t:4|

BDBM166607

Cn1cc(C2=C(C(=O)NC2=O)c2coc3ncccc23)c2ccc(Cl)cc12 |t:4|

BDBM166608

Cn1cc(C2=C(C(=O)NC2=O)c2coc3ncccc23)c2cc(Br)ccc12 |t:4|

BDBM166609

Cn1cc(C2=C(C(=O)NC2=O)c2coc3ncccc23)c2ccc(Br)cc12 |t:4|

BDBM166610

COc1ccc2n(C)cc(C3=C(C(=O)NC3=O)c3coc4ncccc34)c2c1 |t:10|

BDBM166611

C=CCn1cc(C2=C(C(=O)NC2=O)c2coc3ncccc23)c2ccccc12 |t:6|

BDBM166612

CCCCn1cc(C2=C(C(=O)NC2=O)c2coc3ncccc23)c2ccccc12 |t:7|

BDBM166613

CC(C)n1cc(C2=C(C(=O)NC2=O)c2coc3ncccc23)c2ccccc12 |t:6|

BDBM166614

O=C1NC(=O)C(=C1c1coc2ncccc12)c1cn(CCCn2ccnc2)c2ccccc12 |c:5|

BDBM166615

Brc1ccc2n(CCCn3ccnc3)cc(C3=C(C(=O)NC3=O)c3coc4ncccc34)c2c1 |t:17|

BDBM166616

Clc1ccc2n(CCCn3ccnc3)cc(C3=C(C(=O)NC3=O)c3coc4ncccc34)c2c1 |t:17|

BDBM166617

OCCCn1cc(C2=C(C(=O)NC2=O)c2coc3ncccc23)c2ccccc12 |t:7|

BDBM166618

O=C1NC(=O)C(=C1c1coc2ncccc12)c1cn(CCCN2CCOCC2)c2ccccc12 |c:5|

BDBM186184

COc1ccc2[nH]nc(C(=O)NCC3CCN(CCc4ccc(O)cc4)CC3)c2c1

BDBM186185

COc1ccc(CCN2CCC(CNC(=O)c3n[nH]c4ccc(OC)cc34)CC2)cc1

BDBM186186

COc1ccc2[nH]nc(C(=O)NCC3CCN(Cc4ccc(Cl)cc4Cl)CC3)c2c1

BDBM186187

COc1ccc2[nH]nc(C(=O)NCC3CCN(Cc4ccc(cc4)C(F)(F)F)CC3)c2c1

BDBM186188

COc1ccc2[nH]nc(C(=O)NCC3CCN(Cc4ccc(OCc5ccccc5)cc4)CC3)c2c1

BDBM186189

COc1ccc2[nH]nc(C(=O)NCC3CCN(Cc4ccc(O)cc4)CC3)c2c1

BDBM186190

COC(=O)c1csc(CN2CCC(CNC(=O)c3n[nH]c4ccc(OC)cc34)CC2)n1

BDBM186191

COc1ccc2[nH]nc(C(=O)NCC3CCN(Cc4nc(cs4)C(O)=O)CC3)c2c1

BDBM186192

COC(=O)c1coc(CN2CCC(CNC(=O)c3n[nH]c4ccc(OC)cc34)CC2)n1

BDBM186193

COc1ccc2[nH]nc(C(=O)NCC3CCN(Cc4nc(co4)C(O)=O)CC3)c2c1

BDBM186194

COC(=O)c1coc(CN2CCC(CNC(=O)c3n[nH]c4ccc(Br)cc34)CC2)n1

BDBM186195

OC(=O)c1coc(CN2CCC(CNC(=O)c3n[nH]c4ccc(cc34)-c3cccc(F)c3F)CC2)n1

BDBM186196

CCOC(=O)c1nc(CN2CCC(CNC(=O)c3n[nH]c4ccc(OC)cc34)CC2)cs1

BDBM186197

COC(=O)c1ccoc1CN1CCC(CNC(=O)c2n[nH]c3ccc(OC)cc23)CC1

BDBM186198

CCOC(=O)c1ccc(CN2CCC(CNC(=O)c3n[nH]c4ccc(Br)cc34)CC2)o1

BDBM186199

COc1ncccc1-c1ccc2[nH]nc(C(=O)NCC3CCN(Cc4ccc(o4)C(O)=O)CC3)c2c1

BDBM186200

COc1ccc(cn1)-c1ccc2[nH]nc(C(=O)NCC3CCN(Cc4ccc(o4)C(O)=O)CC3)c2c1

BDBM186201

COc1ccc(cc1)-c1ccc2[nH]nc(C(=O)NCC3CCN(Cc4ccc(o4)C(O)=O)CC3)c2c1

BDBM186202

OC(=O)c1ccc(CN2CCC(CNC(=O)c3n[nH]c4ccc(cc34)-c3cccc(F)c3F)CC2)o1

BDBM186203

OC(=O)c1ccc(CN2CCC(CNC(=O)c3n[nH]c4ccc(cc34)-c3ccccc3F)CC2)o1

BDBM186204

COc1ccncc1-c1ccc2[nH]nc(C(=O)NCC3CCN(Cc4ccc(o4)C(O)=O)CC3)c2c1

BDBM186205

OC(=O)c1ccc(CN2CCC(CNC(=O)c3n[nH]c4ccc(Br)cc34)CC2)o1

BDBM186206

CCOC(=O)c1ccc(CN2CCC(CNC(=O)c3n[nH]c4ccc(OC)cc34)CC2)o1

BDBM186207

COc1ccc2[nH]nc(C(=O)NCC3CCN(Cc4ccc(o4)C(O)=O)CC3)c2c1

BDBM186208

COc1ccc2[nH]nc(C(=O)NCC3CCN(CCN4C[C@H](C)O[C@H](C)C4)CC3)c2c1 |r|

BDBM186209

COc1ccc2[nH]nc(C(=O)NCC3CCN(CCCN4C[C@H](C)O[C@H](C)C4)CC3)c2c1 |r|

BDBM186210

COc1ccc2[nH]nc(C(=O)NCC3CCN(CCC4CCCC(C)C4)CC3)c2c1

BDBM186211

COc1ccc2[nH]nc(C(=O)NCC3CCN(Cc4ccnc(c4)C(O)=O)CC3)c2c1

BDBM186212

COc1ccc2[nH]nc(C(=O)NCC3CCN(Cc4ccc(nc4)C([O-])=O)CC3)c2c1

BDBM186213

COc1ccc2[nH]nc(C(=O)NCC3CCN(Cc4noc(n4)C(N)=O)CC3)c2c1

BDBM186214

[O-][N+](=O)c1cccc(CN2CCC(CNC(=O)c3n[nH]c4ccccc34)CC2)c1

BDBM188501

Cc1[nH]nc2NC3=C(C(C4CCCCC4)c12)C(=O)CC(C)(C)C3 |c:6|

BDBM188513

Cc1[nH]nc2nc3CC(C)(C)CC(=O)c3c(-c3ccccc3)c12

BDBM60933

Cc1[nH]nc2NC3=C(C(=O)CC(C)(C)C3)[C@](C)(c12)c1ccccc1 |r,t:6|

BDBM188514

CC1(C)CC(=O)C2=C(C1)Nc1n[nH]c(c1[C@]2(C)c1ccccc1)C(F)(F)F |r,c:6|

BDBM188515

C[C@@]1(c2c([nH]nc2NC3=C1C(=O)CC(C3)(C)C)C4CC4)c5ccccc5

BDBM189381

O=c1oc2cccnc2n1Cc1cn(nn1)-c1ccccc1

BDBM189382

Brc1ccc(cc1)-n1cc(Cn2c3ncccc3oc2=O)nn1

BDBM189383

Clc1ccc(cc1)-n1cc(Cn2c3ncccc3oc2=O)nn1

BDBM189384

O=c1oc2cccnc2n1Cc1cn(nn1)-c1cccnc1

BDBM189385

Fc1ccc(cc1)-n1cc(Cn2c3ncccc3oc2=O)nn1

BDBM189386

Brc1ccccc1-n1cc(Cn2c3ncccc3oc2=O)nn1

BDBM189387

Clc1ccccc1-n1cc(Cn2c3ncccc3oc2=O)nn1

BDBM189388

CCc1ccc(cc1)-n1cc(Cn2c3ncccc3oc2=O)nn1

BDBM189389

Fc1ccccc1-n1cc(Cn2c3ncccc3oc2=O)nn1

BDBM189390

Cc1ccc(cc1C)-n1cc(Cn2c3ncccc3oc2=O)nn1

BDBM189391

Clc1cccc(c1)-n1cc(Cn2c3ncccc3oc2=O)nn1

BDBM189392

COc1ccc(cc1)-n1cc(Cn2c3ncccc3oc2=O)nn1

BDBM189393

CC(C)(C)c1ccc(cc1)-n1cc(Cn2c3ncccc3oc2=O)nn1

BDBM189394

Cc1ccccc1-n1cc(Cn2c3ncccc3oc2=O)nn1

BDBM189395

[O-][N+](=O)c1cccc(c1)-n1cc(Cn2c3ncccc3oc2=O)nn1

BDBM189396

[O-][N+](=O)c1ccc(cc1)-n1cc(Cn2c3ncccc3oc2=O)nn1

BDBM189397

COc1ccccc1-n1cc(Cn2c3ncccc3oc2=O)nn1

BDBM189398

Clc1ccc(c(Cl)c1)-n1cc(Cn2c3ncccc3oc2=O)nn1

BDBM189399

Clc1ccc(cc1Cl)-n1cc(Cn2c3ncccc3oc2=O)nn1

BDBM189400

Clc1ncccc1-n1cc(Cn2c3ncccc3oc2=O)nn1

BDBM189401

CCOc1ccc(cc1)-n1cc(Cn2c3ncccc3oc2=O)nn1

BDBM193700

Cn1c(SCc2cn(nn2)-c2ccc(Br)cc2)nc(cc1=O)-c1ccccc1

BDBM193701

Cn1c(SCc2cn(nn2)-c2ccc(F)cc2)nc(cc1=O)-c1ccccc1

BDBM193702

Cn1c(SCc2cn(nn2)-c2ccccc2Br)nc(cc1=O)-c1ccccc1

BDBM193703

Cc1ccccc1-n1cc(CSc2nc(cc(=O)n2C)-c2ccccc2)nn1

BDBM193704

Cn1c(SCc2cn(nn2)-c2ccccc2)nc(cc1=O)-c1ccccc1

BDBM193705

Cn1c(SCc2cn(nn2)-c2ccc(cc2)C(C)(C)C)nc(cc1=O)-c1ccccc1

BDBM193706

CCc1ccc(cc1)-n1cc(CSc2nc(cc(=O)n2C)-c2ccccc2)nn1

BDBM193707

CCOc1ccc(cc1)-n1cc(CSc2nc(cc(=O)n2C)-c2ccccc2)nn1

BDBM193708

COc1ccccc1-n1cc(CSc2nc(cc(=O)n2C)-c2ccccc2)nn1

BDBM193709

Cn1c(SCc2cn(nn2)-c2ccccc2F)nc(cc1=O)-c1ccccc1

BDBM193710

Cn1c(SCc2cn(nn2)-c2cccc(Cl)c2)nc(cc1=O)-c1ccccc1

BDBM193711

Cn1c(SCc2cn(nn2)-c2cccnc2)nc(cc1=O)-c1ccccc1

BDBM193712

Cn1c(SCc2cn(nn2)-c2ccccc2Cl)nc(cc1=O)-c1ccccc1

BDBM193713

Cc1ccc(cc1C)-n1cc(CSc2nc(cc(=O)n2C)-c2ccccc2)nn1

BDBM193714

COc1ccc(cc1)-n1cc(CSc2nc(cc(=O)n2C)-c2ccccc2)nn1

BDBM193715

Cn1c(SCc2cn(nn2)-c2ccc(Cl)cc2)nc(cc1=O)-c1ccccc1

BDBM193716

Cn1c(SCc2cn(nn2)-c2ccc(cc2)[N+]([O-])=O)nc(cc1=O)-c1ccccc1

BDBM193717

Cn1c(SCc2cn(nn2)-c2cccc(c2)[N+]([O-])=O)nc(cc1=O)-c1ccccc1

BDBM225230

CS(=O)(=O)c1ccc(cc1)-c1cnc(NCc2ccco2)n2cnnc12

BDBM50399334

COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1c[nH]c2ncccc12 |t:13|

BDBM50399331

COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1c[nH]c2cnccc12 |t:13|

BDBM50399333

COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1c[nH]c2ccncc12 |t:13|

BDBM50399332

COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1c[nH]c2cccnc12 |t:13|

BDBM235819

COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1cn(CC[NH3+])c2ccccc12 |t:13|

BDBM235820

COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1cn(CCC[NH3+])c2ccccc12 |t:13|

BDBM235821

COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1cn(CCO)c2ccccc12 |t:13|

BDBM235822

COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1cn(CCN(C)C)c2ccccc12 |t:13|

BDBM235823

COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1cn(CCCN(C)C)c2ccccc12 |t:13|

BDBM235824

COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1cn(CCN2CCCCC2)c2ccccc12 |t:13|

BDBM235825

COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1cn(CCN2CCOCC2)c2ccccc12 |t:13|

BDBM235826

COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1cn(CCC[NH+]2CC[NH+](C)CC2)c2ccccc12 |t:13,(1.93,-1.66,;3.42,-1.27,;3.82,.22,;2.73,1.31,;3.13,2.8,;4.61,3.2,;5.7,2.11,;7.19,2.51,;7.59,3.99,;5.3,.62,;6.39,-.47,;7.88,-.07,;2.36,4.13,;.82,4.13,;.34,5.6,;-.99,6.37,;1.59,6.5,;2.83,5.6,;4.17,6.37,;.05,2.8,;.52,1.33,;-.72,.43,;-.72,-1.11,;-2.06,-1.88,;-2.06,-3.42,;-3.39,-4.19,;-4.73,-3.42,;-6.06,-4.19,;-6.06,-5.73,;-7.88,-6.5,;-4.73,-6.5,;-3.39,-5.73,;-1.97,1.33,;-3.48,1.01,;-4.51,2.16,;-4.03,3.62,;-2.52,3.94,;-1.49,2.8,)|

BDBM251571

NC1CCCN(C1)c1ccncc1NC(=O)c1nc(cnc1N)-c1ccccc1C(F)(F)F

BDBM251572

NC1CCN(CC1)c1ccncc1NC(=O)c1nc(cnc1N)-c1ccccc1F

BDBM251573

NC1CCN(CC1)c1ccccc1NC(=O)c1nc(cnc1N)-c1ccccc1

BDBM251574

NC1CCN(CC1)c1ccncc1NC(=O)c1nc(cnc1N)-c1ccccc1

BDBM251575

COc1ccc(cc1)-c1cnc(N)c(n1)C(=O)Nc1cnccc1N1CCC(N)CC1

BDBM251576

Nc1ncc(nc1C(=O)Nc1cnccc1N1CCNCC1)-c1ccccc1F

BDBM251452

NC1CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1ncccc1C(F)(F)F

BDBM251453

NC1CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1ncccc1OC(F)(F)F

BDBM251455

CC1(N)CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1nc(cc2ccccc12)N1CCOCC1

BDBM251457

Nc1ncc(nc1C(=O)Nc1ncccc1N1CCC(N)(CO)CC1)-c1ncccc1OC(F)(F)F

BDBM251459

NC1CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1csc(n1)N1CCOCC1

BDBM251460

CC1(N)CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1ncccc1C(F)(F)F

BDBM251461

CC1(N)CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1ncccc1OC(F)(F)F

BDBM251464

COc1ccnc(-c2cnc(N)c(n2)C(=O)Nc2ncccc2N2CCC(C)(N)CC2)c1C(F)(F)F

BDBM251471

N[C@H]1[C@H]2CC[C@@H]1CN(C2)c1cccnc1NC(=O)c1nc(cnc1N)-c1nc(ccc1C(F)(F)F)N1CCOCC1 |r|

BDBM251472

COc1ccnc(c1F)-c1cnc(N)c(n1)C(=O)Nc1ncccc1N1CCC(C)(N)CC1

BDBM251481

NC1CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1ncnc2CCCCc12

BDBM251477

COc1ccnc(-c2cnc(N)c(n2)C(=O)Nc2ncccc2N2CCC(C)(N)CC2)c1C#N

BDBM251507

NC1CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1cc(ccc1C(F)(F)F)N1CCOCC1

BDBM251517

NC1CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1nc(ccc1C(F)(F)F)N1CCOCC1

BDBM251523

NC1CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1nc(cc2ccccc12)N1CCOCC1

BDBM422047

CO[C@H]1CC[C@@H](CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1 |r,wU:2.1,wD:5.8,(8.57,3.49,;8.57,1.95,;7.23,1.18,;7.19,-.38,;5.85,-1.15,;4.52,-.38,;4.52,1.15,;5.85,1.93,;3.19,-1.15,;3.19,-2.69,;1.85,-.38,;.52,-1.15,;-.82,-.38,;-2.15,-1.15,;-3.48,-.38,;-4.82,-1.15,;-4.82,-2.69,;-3.48,-3.47,;-2.15,-2.69,;-.82,-3.47,;.52,-2.69,;-6.15,-.38,;-7.61,-.86,;-8.52,.38,;-7.61,1.63,;-8.38,2.96,;-6.15,1.15,)|

BDBM422134

C[C@H](F)CN1CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1 |r|

BDBM422146

CN(C)[C@H]1CC[C@@H](CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1 |r,wU:3.2,wD:6.9,(9.19,1.15,;7.85,1.93,;7.85,3.47,;6.52,1.15,;6.52,-.38,;5.19,-1.15,;3.85,-.38,;3.85,1.15,;5.19,1.92,;2.52,-1.15,;2.52,-2.69,;1.18,-.38,;-.15,-1.15,;-1.48,-.38,;-2.82,-1.15,;-4.15,-.38,;-5.48,-1.15,;-5.48,-2.69,;-4.15,-3.47,;-2.82,-2.69,;-1.48,-3.47,;-.15,-2.69,;-6.82,-.38,;-8.28,-.86,;-9.19,.38,;-8.28,1.63,;-9.05,2.96,;-6.82,1.15,)|

BDBM422293

CO[C@H]1CC[C@H](CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1nnc(C)s1 |r,wU:5.8,2.1,(8.57,3.49,;8.57,1.95,;7.23,1.18,;7.19,-.38,;5.85,-1.15,;4.52,-.38,;4.52,1.15,;5.85,1.92,;3.19,-1.15,;3.19,-2.69,;1.85,-.38,;.52,-1.15,;-.82,-.38,;-2.15,-1.15,;-3.48,-.38,;-4.82,-1.15,;-4.82,-2.69,;-3.48,-3.47,;-2.15,-2.69,;-.82,-3.47,;.52,-2.69,;-6.15,-.38,;-7.61,-.86,;-8.52,.38,;-7.61,1.63,;-8.38,2.96,;-6.15,1.15,)|

BDBM422299

CN1CCN(C[C@H]2CC[C@@H](CC2)C(=O)Nc2cc3cc(ccc3cn2)-c2cnco2)CC1 |r,wU:6.5,wD:9.12,(11.19,-.38,;9.85,.38,;8.52,-.39,;7.19,.38,;7.19,1.93,;5.85,2.69,;4.52,1.93,;4.52,.38,;3.19,-.38,;1.85,.38,;1.85,1.93,;3.19,2.69,;.52,-.38,;.52,-1.93,;-.82,.38,;-2.15,-.38,;-3.48,.38,;-4.82,-.38,;-6.15,.38,;-7.48,-.38,;-7.48,-1.93,;-6.15,-2.69,;-4.82,-1.93,;-3.48,-2.69,;-2.15,-1.93,;-8.82,.38,;-10.28,-.09,;-11.19,1.15,;-10.28,2.4,;-8.82,1.93,;8.52,2.69,;9.85,1.93,)|

BDBM422310

Cc1ncc(o1)-c1ccc2cnc(NC(=O)[C@H]3CC[C@H](CN4CC(F)C4)CC3)cc2c1 |r,wU:19.20,wD:16.16,(-10.66,3.21,;-9.89,1.88,;-10.8,.64,;-9.89,-.61,;-8.43,-.13,;-8.43,1.41,;-7.09,-.9,;-7.09,-2.44,;-5.76,-3.21,;-4.43,-2.44,;-3.09,-3.21,;-1.76,-2.44,;-1.76,-.9,;-.43,-.13,;.91,-.9,;.91,-2.44,;2.24,-.13,;3.58,-.9,;4.91,-.13,;4.91,1.41,;6.24,2.18,;7.58,1.41,;7.98,-.08,;9.46,.32,;10.8,-.45,;9.06,1.8,;3.58,2.18,;2.24,1.41,;-3.09,-.13,;-4.43,-.9,;-5.76,-.13,)|

BDBM422324

Cn1cc(cn1)-c1ccc2cnc(NC(=O)[C@H]3CC[C@@H](CC3)C(O)=O)cc2c1 |r,wU:19.23,wD:16.16,(-9.05,2.96,;-8.28,1.63,;-6.82,1.15,;-6.82,-.38,;-8.28,-.86,;-9.19,.38,;-5.48,-1.15,;-5.48,-2.69,;-4.15,-3.47,;-2.82,-2.69,;-1.48,-3.47,;-.15,-2.69,;-.15,-1.15,;1.18,-.38,;2.52,-1.15,;2.52,-2.69,;3.85,-.38,;5.19,-1.15,;6.52,-.38,;6.57,1.18,;5.19,1.93,;3.85,1.15,;7.9,1.95,;9.23,1.18,;7.9,3.49,;-1.48,-.38,;-2.82,-1.15,;-4.15,-.38,)|

BDBM422332

Cc1ncc(s1)-c1ccc2cnc(NC(=O)CN3CCCOCC3)cc2c1

BDBM422340

Cc1ncc(o1)-c1ccc2cnc(NC(=O)C3CCN(CC(C)(C)O)CC3)cc2c1

BDBM422353

COC(=O)[C@H]1CC[C@@H](CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1 |r,wU:4.3,wD:7.10,(9.96,1.89,;8.62,1.14,;7.3,1.92,;7.32,3.46,;5.95,1.17,;5.85,-.38,;4.52,-1.15,;3.19,-.38,;3.19,1.15,;4.52,1.93,;1.85,-1.15,;1.85,-2.69,;.52,-.38,;-.82,-1.15,;-2.15,-.38,;-3.48,-1.15,;-4.82,-.38,;-6.15,-1.15,;-6.15,-2.69,;-4.82,-3.47,;-3.48,-2.69,;-2.15,-3.47,;-.82,-2.69,;-7.48,-.38,;-8.95,-.86,;-9.85,.38,;-8.95,1.63,;-9.72,2.96,;-7.48,1.15,)|

BDBM422359

CN1CCN(CC1)C(=O)C1CC[C@@H](CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1 |r,wU:12.16,(11.19,-1.15,;9.85,-.38,;8.52,-1.15,;7.19,-.38,;7.19,1.15,;8.52,1.93,;9.85,1.15,;5.85,1.93,;5.85,3.47,;4.52,1.15,;3.19,1.93,;1.85,1.15,;1.85,-.38,;3.19,-1.15,;4.52,-.38,;.52,-1.15,;.52,-2.69,;-.82,-.38,;-2.15,-1.15,;-3.48,-.38,;-4.82,-1.15,;-6.15,-.38,;-7.48,-1.15,;-7.48,-2.69,;-6.15,-3.47,;-4.82,-2.69,;-3.48,-3.47,;-2.15,-2.69,;-8.82,-.38,;-10.28,-.86,;-11.19,.38,;-10.28,1.63,;-11.05,2.96,;-8.82,1.15,)|

BDBM427094

CN1CC(C1)Oc1cc(ccn1)C(=O)Nc1cc2cc(ccc2cn1)-c1cn(C)nn1

BDBM427097

CN1CCC(CC1)c1cccc(c1)C(=O)Nc1cc2cc(ccc2cn1)-c1cn(C)nn1

BDBM427100

Cn1cc(nn1)-c1ccc2cnc(NC(=O)c3ccnc(O)c3)cc2c1

BDBM430275

Cn1cc(cn1)-c1ccc2cnc(NC(=O)[C@@H]3CC[C@@H](CC3)N3CCOCC3)cc2c1 |r,wU:16.16,19.23,(-9.72,2.58,;-8.95,1.25,;-7.48,.77,;-7.48,-.77,;-8.95,-1.25,;-9.85,,;-6.15,-1.54,;-6.15,-3.08,;-4.82,-3.85,;-3.48,-3.08,;-2.15,-3.85,;-.82,-3.08,;-.82,-1.54,;.52,-.77,;1.85,-1.54,;1.85,-3.08,;3.19,-.77,;4.52,-1.54,;5.85,-.77,;5.85,.77,;4.52,1.54,;3.19,.77,;7.19,1.54,;8.52,.77,;9.85,1.54,;9.85,3.08,;8.52,3.85,;7.19,3.08,;-2.15,-.77,;-3.48,-1.54,;-4.82,-.77,)|

BDBM430312

Cc1ncc([nH]1)-c1ccc2cnc(NC(=O)C3CCC(F)(F)CC3)cc2c1

BDBM439125

CN(C)[C@H]1CC[C@@H](CC1)C(=O)Nc1cc2cc(cc(F)c2cn1)-c1cnn(C)c1 |r,wU:3.2,wD:6.9,(9.19,1.93,;7.85,2.69,;7.85,4.23,;6.52,1.93,;6.52,.38,;5.19,-.38,;3.85,.38,;3.85,1.93,;5.19,2.69,;2.52,-.38,;2.52,-1.93,;1.18,.38,;-.15,-.38,;-1.48,.38,;-2.82,-.38,;-4.15,.38,;-5.48,-.38,;-5.48,-1.93,;-4.15,-2.69,;-4.15,-4.23,;-2.82,-1.93,;-1.48,-2.69,;-.15,-1.93,;-6.82,.38,;-8.28,-.09,;-9.19,1.15,;-8.28,2.4,;-9.05,3.73,;-6.82,1.93,)|

BDBM439126

CN(C)[C@H]1CC[C@@H](CC1)C(=O)Nc1cc2cc(-c3cnn(C)c3)c(F)cc2cn1 |r,wU:3.2,wD:6.9,(9.19,1.15,;7.85,1.93,;7.85,3.47,;6.52,1.15,;6.52,-.38,;5.19,-1.15,;3.85,-.38,;3.85,1.15,;5.19,1.92,;2.52,-1.15,;2.52,-2.69,;1.18,-.38,;-.15,-1.15,;-1.48,-.38,;-2.82,-1.15,;-4.15,-.38,;-5.48,-1.15,;-6.82,-.38,;-8.28,-.86,;-9.19,.38,;-8.28,1.63,;-9.05,2.96,;-6.82,1.15,;-5.48,-2.69,;-6.82,-3.47,;-4.15,-3.47,;-2.82,-2.69,;-1.48,-3.47,;-.15,-2.69,)|

BDBM439127

Cn1cc(cn1)-c1cc(F)c2cnc(NC(=O)[C@H]3CC[C@@H](CC3)N3CCOCC3)cc2c1 |r,wU:20.24,wD:17.17,(-9.72,3.35,;-8.95,2.02,;-7.48,1.54,;-7.48,,;-8.95,-.48,;-9.85,.77,;-6.15,-.77,;-6.15,-2.31,;-4.82,-3.08,;-4.82,-4.62,;-3.48,-2.31,;-2.15,-3.08,;-.82,-2.31,;-.82,-.77,;.52,,;1.85,-.77,;1.85,-2.31,;3.19,,;4.52,-.77,;5.85,,;5.85,1.54,;4.52,2.31,;3.19,1.54,;7.19,2.31,;8.52,1.54,;9.85,2.31,;9.85,3.85,;8.52,4.62,;7.19,3.85,;-2.15,,;-3.48,-.77,;-4.82,,)|

BDBM439128

CC(C)CN1CCC(CC(=O)Nc2cc3cc(ccc3cn2)-c2cnn(C)c2)C1

BDBM439131

CC(C)CN1CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1ccn(C)n1

BDBM439134

CN(C)[C@H]1CC[C@@H](CC1)C(=O)Nc1cc2cc(cc(F)c2cn1)-c1cn(C)nn1 |r,wU:3.2,wD:6.9,(9.19,1.93,;7.85,2.69,;7.85,4.23,;6.52,1.92,;6.52,.38,;5.19,-.39,;3.85,.38,;3.85,1.92,;5.19,2.69,;2.52,-.39,;2.52,-1.93,;1.18,.38,;-.15,-.39,;-1.48,.38,;-2.82,-.39,;-4.15,.38,;-5.48,-.39,;-5.48,-1.93,;-4.15,-2.7,;-4.15,-4.23,;-2.82,-1.93,;-1.48,-2.7,;-.15,-1.93,;-6.82,.38,;-6.82,1.92,;-8.28,2.4,;-9.05,3.73,;-9.19,1.15,;-8.28,-.09,)|

BDBM439135

Cn1cc(nn1)-c1ccc2cnc(NC(=O)CN3CCOCC3)cc2c1

BDBM439136

CN1CCN(CC1)[C@H]1CC[C@@H](CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1coc(C)n1 |r,wU:7.7,wD:10.14,(11.29,3.85,;9.96,3.08,;9.96,1.54,;8.62,.77,;7.29,1.54,;7.29,3.08,;8.62,3.85,;5.96,.77,;5.96,-.77,;4.62,-1.54,;3.29,-.77,;3.29,.77,;4.62,1.54,;1.95,-1.54,;1.95,-3.08,;.62,-.77,;-.71,-1.54,;-2.05,-.77,;-3.38,-1.54,;-4.71,-.77,;-6.05,-1.54,;-6.05,-3.08,;-4.71,-3.85,;-3.38,-3.08,;-2.05,-3.85,;-.71,-3.08,;-7.38,-.77,;-7.38,.77,;-8.85,1.25,;-9.75,,;-11.29,,;-8.85,-1.25,)|

BDBM439137

Cc1ncc(-c2ccc3cnc(NC(=O)N4CCOCC4)cc3c2)n1C

BDBM439138

Cn1cnnc1-c1ccc2cnc(NC(=O)CN3CCOCC3)cc2c1

BDBM439139

Cc1nnc(-c2ccc3cnc(NC(=O)CN4CCOCC4)cc3c2)n1C

BDBM439140

CN[C@H]1CC[C@@H](CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnc(C)o1 |r,wU:2.1,wD:5.8,(8.52,3.46,;8.52,1.92,;7.19,1.16,;7.19,-.38,;5.85,-1.15,;4.52,-.38,;4.52,1.16,;5.85,1.92,;3.19,-1.15,;3.19,-2.69,;1.85,-.38,;.52,-1.15,;-.82,-.38,;-2.15,-1.15,;-3.48,-.38,;-4.82,-1.15,;-4.82,-2.69,;-3.48,-3.46,;-2.15,-2.69,;-.82,-3.46,;.52,-2.69,;-6.15,-.38,;-7.61,-.86,;-8.52,.39,;-7.61,1.63,;-8.38,2.96,;-6.15,1.16,)|

BDBM439141

CN(C)[C@H]1CC[C@@H](CC1)C(=O)Nc1cc2cc(cc(F)c2cn1)-c1cnc(C)o1 |r,wU:3.2,wD:6.9,(7.85,4.23,;7.85,2.69,;9.19,1.92,;6.52,1.93,;6.52,.38,;5.19,-.38,;3.85,.38,;3.85,1.93,;5.19,2.69,;2.52,-.38,;2.52,-1.93,;1.18,.38,;-.15,-.38,;-1.48,.38,;-2.82,-.38,;-4.15,.38,;-5.48,-.38,;-5.48,-1.93,;-4.15,-2.69,;-4.15,-4.23,;-2.82,-1.93,;-1.48,-2.69,;-.15,-1.93,;-6.82,.38,;-8.28,-.09,;-9.19,1.15,;-8.28,2.4,;-9.05,3.73,;-6.82,1.93,)|

BDBM439142

CN(C)[C@H]1CC[C@@H](CC1)C(=O)Nc1cc2cc(-c3cnc(C)o3)c(F)cc2cn1 |r,wU:3.2,wD:6.9,(7.85,3.46,;7.85,1.92,;9.19,1.15,;6.52,1.16,;6.52,-.38,;5.19,-1.15,;3.85,-.38,;3.85,1.16,;5.19,1.92,;2.52,-1.15,;2.52,-2.69,;1.18,-.38,;-.15,-1.15,;-1.48,-.38,;-2.82,-1.15,;-4.15,-.38,;-5.48,-1.15,;-6.82,-.38,;-8.28,-.86,;-9.19,.39,;-8.28,1.63,;-9.05,2.96,;-6.82,1.16,;-5.48,-2.69,;-6.82,-3.46,;-4.15,-3.46,;-2.82,-2.69,;-1.48,-3.46,;-.15,-2.69,)|

BDBM439143

Cc1ncc(o1)-c1cc(F)c2cnc(NC(=O)[C@H]3CC[C@@H](CC3)N3CCOCC3)cc2c1 |r,wU:20.24,wD:17.17,(-9.72,3.35,;-8.95,2.02,;-9.85,.77,;-8.95,-.48,;-7.48,,;-7.48,1.54,;-6.15,-.77,;-6.15,-2.31,;-4.82,-3.08,;-4.82,-4.62,;-3.48,-2.31,;-2.15,-3.08,;-.82,-2.31,;-.82,-.77,;.52,,;1.85,-.77,;1.85,-2.31,;3.19,,;4.52,-.77,;5.85,,;5.85,1.54,;4.52,2.31,;3.19,1.54,;7.19,2.31,;8.52,1.54,;9.85,2.31,;9.85,3.85,;8.52,4.62,;7.19,3.85,;-2.15,,;-3.48,-.77,;-4.82,,)|

BDBM439144

Cc1ncc(o1)-c1ccc2cnc(NC(=O)C3CCN(CC(C)(F)F)CC3)cc2c1

BDBM439145

Cc1nnc(s1)-c1ccc2cnc(NC(=O)[C@H]3CC[C@H](N)CC3)cc2c1 |r,wU:19.20,wD:16.16,(-8.38,3.21,;-7.61,1.88,;-8.52,.64,;-7.61,-.61,;-6.15,-.13,;-6.15,1.41,;-4.82,-.9,;-4.82,-2.44,;-3.48,-3.21,;-2.15,-2.44,;-.82,-3.21,;.52,-2.44,;.52,-.9,;1.85,-.13,;3.19,-.9,;3.19,-2.44,;4.52,-.13,;5.85,-.9,;7.19,-.13,;7.19,1.41,;8.52,2.18,;5.85,2.18,;4.52,1.41,;-.82,-.13,;-2.15,-.9,;-3.48,-.13,)|

BDBM439146

CN(C)[C@H]1CC[C@@H](CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1nnc(C)s1 |r,wU:3.2,wD:6.9,(7.85,3.46,;7.85,1.92,;9.19,1.15,;6.52,1.16,;6.52,-.38,;5.19,-1.15,;3.85,-.38,;3.85,1.16,;5.19,1.92,;2.52,-1.15,;2.52,-2.69,;1.18,-.38,;-.15,-1.15,;-1.48,-.38,;-2.82,-1.15,;-4.15,-.38,;-5.48,-1.15,;-5.48,-2.69,;-4.15,-3.46,;-2.82,-2.69,;-1.48,-3.46,;-.15,-2.69,;-6.82,-.38,;-8.28,-.86,;-9.19,.39,;-8.28,1.63,;-9.05,2.96,;-6.82,1.16,)|

BDBM439147

Cc1nnc(s1)-c1ccc2cnc(NC(=O)[C@H]3CC[C@@H](CC3)N3CCOCC3)cc2c1 |r,wU:19.23,wD:16.16,(-9.72,2.58,;-8.95,1.25,;-9.85,,;-8.95,-1.25,;-7.48,-.77,;-7.48,.77,;-6.15,-1.54,;-6.15,-3.08,;-4.82,-3.85,;-3.48,-3.08,;-2.15,-3.85,;-.82,-3.08,;-.82,-1.54,;.52,-.77,;1.85,-1.54,;1.85,-3.08,;3.19,-.77,;4.52,-1.54,;5.85,-.77,;5.85,.77,;4.52,1.54,;3.19,.77,;7.19,1.54,;8.52,.77,;9.85,1.54,;9.85,3.08,;8.52,3.85,;7.19,3.08,;-2.15,-.77,;-3.48,-1.54,;-4.82,-.77,)|

BDBM439148

Cc1nnc(s1)-c1ccc2cnc(NC(=O)C3CCNCC3)cc2c1

BDBM439149

Cc1nnc(s1)-c1ccc2cnc(NC(=O)C3(F)CCNCC3)cc2c1

BDBM439150

CN1CCC(F)(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1nnc(C)s1

BDBM439151

Cc1nnc(s1)-c1ccc2cnc(NC(=O)C3CCN(CC(F)F)CC3)cc2c1

BDBM439152

Cc1nnc(s1)-c1ccc2cnc(NC(=O)C3CCN(CC(C)(F)F)CC3)cc2c1

BDBM439153

CN(C1CCN(C)CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1nnc(C)s1

BDBM439154

CNC1CCN(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1nnc(C)s1

BDBM439155

CN(C)C1CCN(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1nnc(C)s1

BDBM439156

CN(CC(F)F)C1CCN(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1nnc(C)s1

BDBM439157

Cc1nnc(s1)-c1ccc2cnc(NC(=O)N3CC[C@H](N)[C@@H](F)C3)cc2c1 |r|

BDBM439158

CN(C)[C@H]1CCN(C[C@@H]1F)C(=O)Nc1cc2cc(ccc2cn1)-c1nnc(C)s1 |r|

BDBM439159

CC(C)N[C@H]1CCN(C[C@@H]1F)C(=O)Nc1cc2cc(ccc2cn1)-c1nnc(C)s1 |r|

BDBM439160

Cc1nnc(s1)-c1ccc2cnc(NC(=O)N3CCOCC3)cc2c1

BDBM439161

CN(C1COC1)[C@H]1CC[C@@H](CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnc(C)o1 |r,wU:6.6,wD:9.13,(6.91,3.46,;6.91,1.92,;8.24,1.15,;8.64,-.33,;10.13,.07,;9.73,1.55,;5.58,1.16,;5.58,-.38,;4.24,-1.15,;2.91,-.38,;2.91,1.16,;4.24,1.92,;1.58,-1.15,;1.58,-2.69,;.24,-.38,;-1.09,-1.15,;-2.43,-.38,;-3.76,-1.15,;-5.09,-.38,;-6.43,-1.15,;-6.43,-2.69,;-5.09,-3.46,;-3.76,-2.69,;-2.43,-3.46,;-1.09,-2.69,;-7.76,-.38,;-9.22,-.86,;-10.13,.39,;-9.22,1.63,;-9.99,2.96,;-7.76,1.16,)|

BDBM439162

Cc1nnc(s1)-c1ccc2cnc(NC(=O)C3CCN(CCC(F)(F)F)CC3)cc2c1

BDBM439166

C[C@H]1CN(C)CCN1C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1 |r|

BDBM439167

Cc1ncc(o1)-c1ccc2cnc(NC(=O)[C@H]3CC[C@H](CO)CC3)cc2c1 |r,wU:19.20,wD:16.16,(-9.05,3.21,;-8.28,1.88,;-9.19,.64,;-8.28,-.61,;-6.82,-.13,;-6.82,1.41,;-5.48,-.9,;-5.48,-2.44,;-4.15,-3.21,;-2.82,-2.44,;-1.48,-3.21,;-.15,-2.44,;-.15,-.9,;1.18,-.13,;2.52,-.9,;2.52,-2.44,;3.85,-.13,;5.19,-.9,;6.52,-.13,;6.52,1.41,;7.85,2.18,;9.19,1.41,;5.19,2.18,;3.85,1.41,;-1.48,-.13,;-2.82,-.9,;-4.15,-.13,)|

BDBM439168

CN(CC(F)F)[C@H]1CC[C@@H](CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnc(C)o1 |r,wU:6.5,wD:9.12,(6.52,3.47,;6.52,1.93,;7.85,1.16,;9.19,1.93,;10.52,1.16,;9.19,3.47,;5.19,1.16,;5.19,-.39,;3.85,-1.16,;2.52,-.39,;2.52,1.16,;3.85,1.93,;1.18,-1.16,;1.18,-2.7,;-.15,-.39,;-1.48,-1.16,;-2.82,-.39,;-4.15,-1.16,;-5.48,-.39,;-6.82,-1.16,;-6.82,-2.7,;-5.48,-3.47,;-4.15,-2.7,;-2.82,-3.47,;-1.48,-2.7,;-8.15,-.39,;-9.62,-.86,;-10.52,.38,;-9.62,1.63,;-10.39,2.96,;-8.15,1.15,)|

BDBM439170

CN1CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1nnc(C)s1

BDBM439171

CN1CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnc(C)o1

BDBM439172

COC1CCN(CC(=O)Nc2cc3cc(ccc3cn2)-c2cnc(C)o2)CC1

BDBM439173

COC1CCN(CC(=O)Nc2cc3cc(ccc3cn2)-c2nnc(C)s2)CC1

BDBM439174

Cc1ncc(o1)-c1ccc2cnc(NC(=O)N3CCC(CC3)N3CCOCC3)cc2c1

BDBM439175

Cc1ncc(o1)-c1ccc2cnc(NC(=O)N3CC[C@H](N)[C@@H](F)C3)cc2c1 |r|

BDBM439176

CN(CC(F)F)C1CCN(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnc(C)o1

BDBM439177

CC(C)N[C@H]1CCN(C[C@@H]1F)C(=O)Nc1cc2cc(ccc2cn1)-c1cnc(C)o1 |r|

BDBM439178

COC1CCN(CC(=O)Nc2cc3cc(ccc3cn2)-c2cn(C)nn2)CC1

BDBM439179

Cc1ncc(o1)-c1cc2cc(NC(=O)[C@H]3CC[C@@H](CC3)N3CCOCC3)ncc2cc1F |r,wU:17.21,wD:14.14,(-9.72,2.58,;-8.95,1.25,;-9.85,,;-8.95,-1.25,;-7.48,-.77,;-7.48,.77,;-6.15,-1.54,;-4.82,-.77,;-3.48,-1.54,;-2.15,-.77,;-.82,-1.54,;.52,-.77,;1.85,-1.54,;1.85,-3.08,;3.19,-.77,;4.52,-1.54,;5.85,-.77,;5.85,.77,;4.52,1.54,;3.19,.77,;7.19,1.54,;8.52,.77,;9.85,1.54,;9.85,3.08,;8.52,3.85,;7.19,3.08,;-.82,-3.08,;-2.15,-3.85,;-3.48,-3.08,;-4.82,-3.85,;-6.15,-3.08,;-7.48,-3.85,)|

BDBM439180

Cn1cc(nn1)-c1cc(F)c2cnc(NC(=O)[C@H]3CC[C@@H](CC3)N3CCOCC3)cc2c1 |r,wU:20.24,wD:17.17,(-9.72,3.35,;-8.95,2.02,;-7.48,1.54,;-7.48,,;-8.95,-.48,;-9.85,.77,;-6.15,-.77,;-6.15,-2.31,;-4.82,-3.08,;-4.82,-4.62,;-3.48,-2.31,;-2.15,-3.08,;-.82,-2.31,;-.82,-.77,;.52,,;1.85,-.77,;1.85,-2.31,;3.19,,;4.52,-.77,;5.85,,;5.85,1.54,;4.52,2.31,;3.19,1.54,;7.19,2.31,;8.52,1.54,;9.85,2.31,;9.85,3.85,;8.52,4.62,;7.19,3.85,;-2.15,,;-3.48,-.77,;-4.82,,)|

BDBM439181

Cc1nnc(s1)-c1cc(F)c2cnc(NC(=O)[C@H]3CC[C@@H](CC3)N3CCOCC3)cc2c1 |r,wU:20.24,wD:17.17,(-9.72,3.35,;-8.95,2.02,;-9.85,.77,;-8.95,-.48,;-7.48,,;-7.48,1.54,;-6.15,-.77,;-6.15,-2.31,;-4.82,-3.08,;-4.82,-4.62,;-3.48,-2.31,;-2.15,-3.08,;-.82,-2.31,;-.82,-.77,;.52,,;1.85,-.77,;1.85,-2.31,;3.19,,;4.52,-.77,;5.85,,;5.85,1.54,;4.52,2.31,;3.19,1.54,;7.19,2.31,;8.52,1.54,;9.85,2.31,;9.85,3.85,;8.52,4.62,;7.19,3.85,;-2.15,,;-3.48,-.77,;-4.82,,)|

BDBM439182

Cc1cn2CCN(Cc2n1)C(=O)Nc1cc2cc(ccc2cn1)-c1nnc(C)s1

BDBM439183

Cc1cn2CCN(Cc2n1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnc(C)o1

BDBM439184

Cn1cc(nn1)-c1ccc2cnc(NC(=O)N3CCOCC3)cc2c1

BDBM439185

CN1CC2CCC(C1)N2C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1

BDBM439186

CN1CCN(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1nnc(C)s1

BDBM439187

CN(C)C1CCN(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1

BDBM439188

Cn1cc(cn1)-c1ccc2cnc(NC(=O)N3CCOCC3)cc2c1

BDBM439189

CC(C)N1CCN(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1

BDBM439191

C[C@@H]1CN(CCN1C)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1 |r|

BDBM439193

Cc1ncc(o1)-c1ccc2cnc(NC(=O)[C@H]3CC[C@H](CN4CCOCC4)CC3)cc2c1 |r,wU:16.16,wD:19.20,(-10.39,3.21,;-9.62,1.88,;-10.52,.64,;-9.62,-.61,;-8.15,-.13,;-8.15,1.41,;-6.82,-.9,;-6.82,-2.44,;-5.48,-3.21,;-4.15,-2.44,;-2.82,-3.21,;-1.48,-2.44,;-1.48,-.9,;-.15,-.13,;1.18,-.9,;1.18,-2.44,;2.52,-.13,;2.52,1.41,;3.85,2.18,;5.19,1.41,;6.52,2.18,;7.85,1.41,;7.85,-.13,;9.19,-.9,;10.52,-.13,;10.52,1.41,;9.19,2.18,;5.19,-.13,;3.85,-.9,;-2.82,-.13,;-4.15,-.9,;-5.48,-.13,)|

BDBM439194

CN1CCN(C[C@H]2CC[C@@H](CC2)C(=O)Nc2cc3cc(ccc3cn2)-c2cnc(C)o2)CC1 |r,wU:9.12,wD:6.5,(11.19,-.9,;9.85,-.13,;8.52,-.9,;7.19,-.13,;7.19,1.41,;5.85,2.18,;4.52,1.41,;3.19,2.18,;1.85,1.41,;1.85,-.13,;3.19,-.9,;4.52,-.13,;.52,-.9,;.52,-2.44,;-.82,-.13,;-2.15,-.9,;-3.48,-.13,;-4.82,-.9,;-6.15,-.13,;-7.48,-.9,;-7.48,-2.44,;-6.15,-3.21,;-4.82,-2.44,;-3.48,-3.21,;-2.15,-2.44,;-8.82,-.13,;-10.28,-.61,;-11.19,.64,;-10.28,1.88,;-11.05,3.21,;-8.82,1.41,;8.52,2.18,;9.85,1.41,)|

BDBM439195

CN1CC[C@H](NC(=O)Nc2cc3cc(ccc3cn2)-c2nnc(C)s2)[C@@H](F)C1 |r|

BDBM439196

Cc1ncc(-c2ccc3cnc(NC(=O)c4ccnc(c4)N4CCCCC4)cc3c2)n1C

BDBM439204

Cn1cncc1-c1ccc2cnc(NC(=O)c3ccccc3F)cc2c1

BDBM439206

Cn1cncc1-c1ccc2cnc(NC(=O)c3ccccc3Cl)cc2c1

BDBM439207

Cn1cncc1-c1ccc2cnc(NC(=O)c3ccc(Cl)cc3)cc2c1

BDBM439208

Cc1ccc(cc1)C(=O)Nc1cc2cc(ccc2cn1)-c1cncn1C

BDBM439211

COc1ccc(cc1)C(=O)Nc1cc2cc(ccc2cn1)-c1cncn1C

BDBM439214

Cc1ncc(-c2ccc3cnc(NC(=O)\C=C\c4ccccc4)cc3c2)n1C

BDBM439216

Cc1ncc(-c2ccc3cnc(NC(=O)Cc4ccc(F)cc4)cc3c2)n1C

BDBM439217

Cn1cncc1-c1ccc2cnc(NC(=O)\C=C\c3ccccc3)cc2c1

BDBM439219

Cn1cncc1-c1ccc2cnc(NC(=O)Cc3ccc(F)cc3)cc2c1

BDBM439220

CN(C)[C@H]1CCC(CC1)C(=O)Nc1cc2cc(cc(F)c2cn1)-c1cnn(C)c1 |r,wD:3.2,(7.85,4.23,;7.85,2.69,;9.19,1.93,;6.52,1.93,;5.19,2.69,;3.85,1.93,;3.85,.38,;5.19,-.38,;6.52,.38,;2.52,-.38,;2.52,-1.93,;1.18,.38,;-.15,-.38,;-1.48,.38,;-2.82,-.38,;-4.15,.38,;-5.48,-.38,;-5.48,-1.93,;-4.15,-2.69,;-4.15,-4.23,;-2.82,-1.93,;-1.48,-2.69,;-.15,-1.93,;-6.82,.38,;-8.28,-.09,;-9.19,1.15,;-8.28,2.4,;-9.05,3.73,;-6.82,1.93,)|

BDBM439221

Cn1cc(cn1)-c1cc(F)c2cnc(NC(=O)C3CC[C@@H](CC3)N3CCOCC3)cc2c1 |r,wD:20.24,(-9.72,3.35,;-8.95,2.02,;-7.48,1.54,;-7.48,,;-8.95,-.48,;-9.85,.77,;-6.15,-.77,;-6.15,-2.31,;-4.82,-3.08,;-4.82,-4.62,;-3.48,-2.31,;-2.15,-3.08,;-.82,-2.31,;-.82,-.77,;.52,,;1.85,-.77,;1.85,-2.31,;3.19,,;3.19,1.54,;4.52,2.31,;5.85,1.54,;5.85,,;4.52,-.77,;7.19,2.31,;8.52,1.54,;9.85,2.31,;9.85,3.85,;8.52,4.62,;7.19,3.85,;-2.15,,;-3.48,-.77,;-4.82,,)|

BDBM439222

Cn1cc(nn1)-c1ccc2cnc(NC(=O)C3CC[C@@H](CC3)N3CCCC3)cc2c1 |r,wU:19.23,(-9.57,2.73,;-8.8,1.39,;-7.34,.92,;-7.34,-.62,;-8.8,-1.1,;-9.7,.15,;-6,-1.39,;-6,-2.93,;-4.67,-3.7,;-3.33,-2.93,;-2,-3.7,;-.67,-2.93,;-.67,-1.39,;.67,-.62,;2,-1.39,;2,-2.93,;3.33,-.62,;4.67,-1.39,;6,-.62,;6,.92,;4.67,1.69,;3.33,.92,;7.34,1.69,;8.8,1.21,;9.7,2.46,;8.8,3.7,;7.34,3.23,;-2,-.62,;-3.33,-1.39,;-4.67,-.62,)|

BDBM439223

Cn1cc(nn1)-c1ccc2cnc(NC(=O)C3CC[C@@H](CC3)N3CCOCC3)cc2c1 |r,wU:19.23,(-9.72,2.58,;-8.95,1.25,;-7.48,.77,;-7.48,-.77,;-8.95,-1.25,;-9.85,,;-6.15,-1.54,;-6.15,-3.08,;-4.82,-3.85,;-3.48,-3.08,;-2.15,-3.85,;-.82,-3.08,;-.82,-1.54,;.52,-.77,;1.85,-1.54,;1.85,-3.08,;3.19,-.77,;4.52,-1.54,;5.85,-.77,;5.85,.77,;4.52,1.54,;3.19,.77,;7.19,1.54,;8.52,.77,;9.85,1.54,;9.85,3.08,;8.52,3.85,;7.19,3.08,;-2.15,-.77,;-3.48,-1.54,;-4.82,-.77,)|

BDBM439224

CN1CCN(CC1)C(=O)[C@H]1CCC(CC1)C(=O)Nc1cc2cc(cc(F)c2cn1)-c1cnc(C)o1 |r,wU:9.9,(11.19,-.38,;9.85,.38,;8.52,-.38,;7.19,.38,;7.19,1.93,;8.52,2.69,;9.85,1.93,;5.85,2.69,;5.85,4.23,;4.52,1.93,;4.52,.38,;3.19,-.38,;1.85,.38,;1.85,1.93,;3.19,2.69,;.52,-.38,;.52,-1.93,;-.82,.38,;-2.15,-.38,;-3.48,.38,;-4.82,-.38,;-6.15,.38,;-7.48,-.38,;-7.48,-1.93,;-6.15,-2.69,;-6.15,-4.23,;-4.82,-1.93,;-3.48,-2.69,;-2.15,-1.93,;-8.82,.38,;-10.28,-.09,;-11.19,1.15,;-10.28,2.4,;-11.05,3.73,;-8.82,1.93,)|

BDBM439225

CN1CCN(CC1)C(=O)[C@H]1CCC(CC1)C(=O)Nc1cc2cc(cc(F)c2cn1)-c1cnn(C)c1 |r,wU:9.9,(11.19,-.38,;9.85,.38,;8.52,-.38,;7.19,.38,;7.19,1.93,;8.52,2.69,;9.85,1.93,;5.85,2.69,;5.85,4.23,;4.52,1.93,;4.52,.38,;3.19,-.38,;1.85,.38,;1.85,1.93,;3.19,2.69,;.52,-.38,;.52,-1.93,;-.82,.38,;-2.15,-.38,;-3.48,.38,;-4.82,-.38,;-6.15,.38,;-7.48,-.38,;-7.48,-1.93,;-6.15,-2.69,;-6.15,-4.23,;-4.82,-1.93,;-3.48,-2.69,;-2.15,-1.93,;-8.82,.38,;-10.28,-.09,;-11.19,1.15,;-10.28,2.4,;-11.05,3.73,;-8.82,1.93,)|

BDBM439226

Cn1cc(cn1)-c1cc(F)c2cnc(NC(=O)C3CC[C@@H](CC3)NCC(F)F)cc2c1 |r,wU:20.24,(-10.39,3.73,;-9.62,2.4,;-8.15,1.93,;-8.15,.38,;-9.62,-.09,;-10.52,1.15,;-6.82,-.38,;-6.82,-1.93,;-5.48,-2.69,;-5.48,-4.23,;-4.15,-1.93,;-2.82,-2.69,;-1.48,-1.93,;-1.48,-.38,;-.15,.38,;1.18,-.38,;1.18,-1.93,;2.52,.38,;3.85,-.38,;5.19,.38,;5.19,1.93,;3.85,2.69,;2.52,1.93,;6.52,2.69,;7.85,1.93,;9.19,2.69,;10.52,1.93,;9.19,4.23,;-2.82,.38,;-4.15,-.38,;-5.48,.38,)|

BDBM439227

Cc1ncc(o1)-c1ccc2cnc(NC(=O)C3CC[C@@H](CC3)NCC(F)F)cc2c1 |r,wU:19.23,(-10.39,2.96,;-9.62,1.63,;-10.52,.38,;-9.62,-.86,;-8.15,-.38,;-8.15,1.15,;-6.82,-1.15,;-6.82,-2.69,;-5.48,-3.47,;-4.15,-2.69,;-2.82,-3.47,;-1.48,-2.69,;-1.48,-1.15,;-.15,-.38,;1.18,-1.15,;1.18,-2.69,;2.52,-.38,;3.85,-1.15,;5.19,-.38,;5.19,1.15,;3.85,1.93,;2.52,1.15,;6.52,1.93,;7.85,1.15,;9.19,1.93,;10.52,1.15,;9.19,3.47,;-2.82,-.38,;-4.15,-1.15,;-5.48,-.38,)|

BDBM439228

COCCN[C@H]1CCC(CC1)C(=O)Nc1cc2cc(cc(F)c2cn1)-c1cnn(C)c1 |r,wU:5.4,(11.19,2.95,;9.85,2.18,;8.52,2.95,;7.19,2.18,;5.85,2.95,;4.52,2.18,;4.52,.64,;3.19,-.13,;1.85,.64,;1.85,2.18,;3.19,2.95,;.52,-.13,;.52,-1.67,;-.82,.64,;-2.15,-.13,;-3.48,.64,;-4.82,-.13,;-6.15,.64,;-7.48,-.13,;-7.48,-1.67,;-6.15,-2.44,;-6.15,-3.98,;-4.82,-1.67,;-3.48,-2.44,;-2.15,-1.67,;-8.82,.64,;-10.28,.16,;-11.19,1.41,;-10.28,2.65,;-11.05,3.98,;-8.82,2.18,)|

BDBM439229

COCCN[C@H]1CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnc(C)o1 |r,wU:5.4,(11.19,2.18,;9.85,1.41,;8.52,2.18,;7.19,1.41,;5.85,2.18,;4.52,1.41,;4.52,-.13,;3.19,-.9,;1.85,-.13,;1.85,1.41,;3.19,2.18,;.52,-.9,;.52,-2.44,;-.82,-.13,;-2.15,-.9,;-3.48,-.13,;-4.82,-.9,;-6.15,-.13,;-7.48,-.9,;-7.48,-2.44,;-6.15,-3.21,;-4.82,-2.44,;-3.48,-3.21,;-2.15,-2.44,;-8.82,-.13,;-10.28,-.61,;-11.19,.64,;-10.28,1.88,;-11.05,3.21,;-8.82,1.41,)|

BDBM439230

CN1CC2CCC(C1)N2C(=O)Nc1cc2cc(ccc2cn1)-c1nnc(C)s1

BDBM439231

C[C@@H]1CN(CCN1C)C(=O)Nc1cc2cc(ccc2cn1)-c1nnc(C)s1 |r|

BDBM439232

CN1C2CCC1CN(C2)C(=O)Nc1cc2cc(ccc2cn1)-c1nnc(C)s1

BDBM439233

Cc1nnc(s1)-c1ccc2cnc(NC(=O)N3CCC(CC3)NC(CF)CF)cc2c1

BDBM439234

Cc1ncc(o1)-c1ccc2cnc(NC(=O)C3CC[C@@H](CC3)NC(CF)CF)cc2c1 |r,wD:19.23,(-9.72,2.58,;-8.95,1.25,;-9.85,,;-8.95,-1.25,;-7.48,-.77,;-7.48,.77,;-6.15,-1.54,;-6.15,-3.08,;-4.82,-3.85,;-3.48,-3.08,;-2.15,-3.85,;-.82,-3.08,;-.82,-1.54,;.52,-.77,;1.85,-1.54,;1.85,-3.08,;3.19,-.77,;3.19,.77,;4.52,1.54,;5.85,.77,;5.85,-.77,;4.52,-1.54,;7.19,1.54,;7.19,3.08,;8.52,3.85,;9.85,3.08,;5.85,3.85,;4.52,3.08,;-2.15,-.77,;-3.48,-1.54,;-4.82,-.77,)|

BDBM439235

Cc1nnc(s1)-c1ccc2cnc(NC(=O)N3CCn4ccnc4C3)cc2c1

BDBM439236

Cc1ncc(o1)-c1ccc2cnc(NC(=O)N3CCn4ccnc4C3)cc2c1

BDBM439237

Cc1nnc(s1)-c1ccc2cnc(NC(=O)N3CCC(CC3)N3CCOCC3)cc2c1

BDBM439238

CN1CCN(CC1)C1CCN(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1nnc(C)s1

BDBM439239

CC(C)N[C@@H]1CCN(C[C@H]1F)C(=O)Nc1cc2cc(ccc2cn1)-c1nnc(C)s1 |r|

BDBM439240

Cc1nnc(s1)-c1ccc2cnc(NC(=O)N3CC[C@@H](N)[C@H](F)C3)cc2c1 |r|

BDBM439243

CN1CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1nnc(C)o1

BDBM439244

Cc1nnc(o1)-c1ccc2cnc(NC(=O)CN3CCOCC3)cc2c1

BDBM439246

CC(C)NC1CCN(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnc(C)o1

BDBM439251

CC(C)N1CCN(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1nnc(C)s1

BDBM439252

Cc1nnc(s1)-c1ccc2cnc(NC(=O)N3CCC(CC3)NCCC(F)(F)F)cc2c1

BDBM439253

Cc1ncc(o1)-c1ccc2cnc(NC(=O)[C@H]3CC[C@@H](CC3)NCCC(F)(F)F)cc2c1 |r,wU:16.16,wD:19.23,(-11.05,3.21,;-10.28,1.88,;-11.19,.64,;-10.28,-.61,;-8.82,-.13,;-8.82,1.41,;-7.48,-.9,;-7.48,-2.44,;-6.15,-3.21,;-4.82,-2.44,;-3.48,-3.21,;-2.15,-2.44,;-2.15,-.9,;-.82,-.13,;.52,-.9,;.52,-2.44,;1.85,-.13,;1.85,1.41,;3.19,2.18,;4.52,1.41,;4.52,-.13,;3.19,-.9,;5.85,2.18,;7.19,1.41,;7.19,-.13,;8.52,-.9,;9.85,-1.67,;7.75,-2.24,;9.29,.43,;-3.48,-.13,;-4.82,-.9,;-6.15,-.13,)|

BDBM439254

Cc1ncc(o1)-c1ccc2cnc(NC(=O)C3CC[C@H](N)CC3)cc2c1 |r,wU:19.20,(-8.38,3.21,;-7.61,1.88,;-8.52,.64,;-7.61,-.61,;-6.15,-.13,;-6.15,1.41,;-4.82,-.9,;-4.82,-2.44,;-3.48,-3.21,;-2.15,-2.44,;-.82,-3.21,;.52,-2.44,;.52,-.9,;1.85,-.13,;3.19,-.9,;3.19,-2.44,;4.52,-.13,;5.85,-.9,;7.19,-.13,;7.19,1.41,;8.52,2.18,;5.85,2.18,;4.52,1.41,;-.82,-.13,;-2.15,-.9,;-3.48,-.13,)|

BDBM439255

Cc1nnc(s1)-c1ccc2cnc(NC(=O)N3CCC(N)CC3)cc2c1

BDBM439256

Cc1nnc(s1)-c1ccc2cnc(NC(=O)N3[C@H]4CC[C@@H]3C[C@@H](N)C4)cc2c1 |r,THB:14:16:24.22.21:19.18|

BDBM439257

Cc1nnc(s1)-c1ccc2cnc(NC(=O)N3[C@H]4CC[C@@H]3C[C@H](C4)NCCC(F)(F)F)cc2c1 |r,THB:14:16:23.22.21:19.18|

BDBM439258

Cc1ncc(o1)-c1ccc2cnc(NC(=O)C3CC[C@@H](CC3)C3CC3CF)cc2c1 |r,wU:19.23,(-9.15,1.91,;-8.38,.58,;-9.29,-.67,;-8.38,-1.91,;-6.92,-1.44,;-6.92,.1,;-5.59,-2.21,;-5.59,-3.75,;-4.25,-4.52,;-2.92,-3.75,;-1.59,-4.52,;-.25,-3.75,;-.25,-2.21,;1.08,-1.44,;2.42,-2.21,;2.42,-3.75,;3.75,-1.44,;5.08,-2.21,;6.42,-1.44,;6.42,.1,;5.08,.87,;3.75,.1,;7.75,.87,;9.29,.87,;8.52,2.21,;8.52,3.75,;7.19,4.52,;-1.59,-1.44,;-2.92,-2.21,;-4.25,-1.44,)|

BDBM439259

Cc1ncc(o1)-c1ccc2cnc(NC(=O)C3CC[C@@H](CC3)NCCF)cc2c1 |r,wU:19.23,(-10.39,3.21,;-9.62,1.88,;-10.52,.64,;-9.62,-.61,;-8.15,-.13,;-8.15,1.41,;-6.82,-.9,;-6.82,-2.44,;-5.48,-3.21,;-4.15,-2.44,;-2.82,-3.21,;-1.48,-2.44,;-1.48,-.9,;-.15,-.13,;1.18,-.9,;1.18,-2.44,;2.52,-.13,;3.85,-.9,;5.19,-.13,;5.19,1.41,;3.85,2.18,;2.52,1.41,;6.52,2.18,;7.85,1.41,;9.19,2.18,;10.52,1.41,;-2.82,-.13,;-4.15,-.9,;-5.48,-.13,)|

BDBM439260

Cc1nnc(s1)-c1ccc2cnc(NC(=O)N3CCC(CC3)NCCF)cc2c1

BDBM439261

Cc1ncc(-c2ccc3cnc(NC(=O)c4ccccc4F)cc3c2)n1C

BDBM439262

Cc1ncc(-c2ccc3cnc(NC(=O)c4ccc(F)cc4)cc3c2)n1C

BDBM439263

Cc1ncc(-c2ccc3cnc(NC(=O)c4ccccc4Cl)cc3c2)n1C

BDBM439264

Cc1ncc(-c2ccc3cnc(NC(=O)c4ccc(Cl)cc4)cc3c2)n1C

BDBM439265

Cc1ncc(-c2ccc3cnc(NC(=O)c4ccc(C)cc4)cc3c2)n1C

BDBM439268

COc1ccc(cc1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnc(C)n1C

BDBM439272

Cn1cc(cn1)-c1ccc2cnc(NC(=O)C3CCN(CC3)C(C)(C)C)cc2c1

BDBM439273

Cc1nnc(s1)-c1ccc2cnc(NC(=O)N3CCC(CC3)NCC(F)F)cc2c1

BDBM439274

CCCCN1CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1

BDBM439275

CC(C)C[N+]1(CC(C)C)CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1

BDBM439276

CN1C[C@H]2C[C@@H]1CN2C(=O)Nc1cc2cc(ccc2cn1)-c1nnc(C)s1 |r|

BDBM439277

CN[C@H]1CCN(C[C@@H]1F)C(=O)Nc1cc2cc(ccc2cn1)-c1nnc(C)s1 |r|

BDBM439278

Cc1nnc(s1)-c1ccc2cnc(NC(=O)N3[C@H]4CC[C@@H]3C[C@@H](C4)NCC(F)F)cc2c1 |r,THB:14:16:21.22.23:18.19|

BDBM439279

Cc1nnc(s1)-c1ccc2cnc(NC(=O)N3[C@H]4CC[C@@H]3C[C@H](N)C4)cc2c1 |r,THB:14:16:21.22.24:18.19|

BDBM439280

CN1CCN(CC1)[C@H]1CC[C@@H](CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1nnc(C)s1 |r,wU:7.7,wD:10.14,(10.52,3.85,;9.19,3.08,;9.19,1.54,;7.85,.77,;6.52,1.54,;6.52,3.08,;7.85,3.85,;5.19,.77,;5.19,-.77,;3.85,-1.54,;2.52,-.77,;2.52,.77,;3.85,1.54,;1.19,-1.54,;1.19,-3.08,;-.15,-.77,;-1.48,-1.54,;-2.82,-.77,;-4.15,-1.54,;-5.48,-.77,;-6.82,-1.54,;-6.82,-3.08,;-5.48,-3.85,;-4.15,-3.08,;-2.82,-3.85,;-1.48,-3.08,;-8.15,-.77,;-9.61,-1.25,;-10.52,-0,;-9.61,1.24,;-10.38,2.58,;-8.15,.77,)|

BDBM439281

Cc1nnc(s1)-c1ccc2cnc(NC(=O)N3[C@H]4CC[C@@H]3C[C@@H](C4)NCCC(F)(F)F)cc2c1 |r,TLB:14:16:18.19:21.23.22|

BDBM439282

COCCN[C@H]1CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1 |r,wU:5.4,(11.19,2.18,;9.85,1.41,;8.52,2.18,;7.19,1.41,;5.85,2.18,;4.52,1.41,;4.52,-.13,;3.19,-.9,;1.85,-.13,;1.85,1.41,;3.19,2.18,;.52,-.9,;.52,-2.44,;-.82,-.13,;-2.15,-.9,;-3.48,-.13,;-4.82,-.9,;-6.15,-.13,;-7.48,-.9,;-7.48,-2.44,;-6.15,-3.21,;-4.82,-2.44,;-3.48,-3.21,;-2.15,-2.44,;-8.82,-.13,;-10.28,-.61,;-11.19,.64,;-10.28,1.88,;-11.05,3.21,;-8.82,1.41,)|

BDBM439283

Cn1cc(cn1)-c1ccc2cnc(NC(=O)C3CC[C@@H](CC3)NCCF)cc2c1 |r,wU:19.23,(-10.39,3.21,;-9.62,1.88,;-8.15,1.41,;-8.15,-.13,;-9.62,-.61,;-10.52,.64,;-6.82,-.9,;-6.82,-2.44,;-5.48,-3.21,;-4.15,-2.44,;-2.82,-3.21,;-1.48,-2.44,;-1.48,-.9,;-.15,-.13,;1.18,-.9,;1.18,-2.44,;2.52,-.13,;3.85,-.9,;5.19,-.13,;5.19,1.41,;3.85,2.18,;2.52,1.41,;6.52,2.18,;7.85,1.41,;9.19,2.18,;10.52,1.41,;-2.82,-.13,;-4.15,-.9,;-5.48,-.13,)|

BDBM439284

COCCN[C@H]1CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1nnc(C)s1 |r,wU:5.4,(11.19,2.18,;9.85,1.41,;8.52,2.18,;7.19,1.41,;5.85,2.18,;4.52,1.41,;4.52,-.13,;3.19,-.9,;1.85,-.13,;1.85,1.41,;3.19,2.18,;.52,-.9,;.52,-2.44,;-.82,-.13,;-2.15,-.9,;-3.48,-.13,;-4.82,-.9,;-6.15,-.13,;-7.48,-.9,;-7.48,-2.44,;-6.15,-3.21,;-4.82,-2.44,;-3.48,-3.21,;-2.15,-2.44,;-8.82,-.13,;-10.28,-.61,;-11.19,.64,;-10.28,1.88,;-11.05,3.21,;-8.82,1.41,)|

BDBM439285

Cc1nnc(s1)-c1ccc2cnc(NC(=O)C3CC[C@@H](CC3)NCCF)cc2c1 |r,wU:19.23,(-10.39,3.21,;-9.62,1.88,;-10.52,.64,;-9.62,-.61,;-8.15,-.13,;-8.15,1.41,;-6.82,-.9,;-6.82,-2.44,;-5.48,-3.21,;-4.15,-2.44,;-2.82,-3.21,;-1.48,-2.44,;-1.48,-.9,;-.15,-.13,;1.18,-.9,;1.18,-2.44,;2.52,-.13,;3.85,-.9,;5.19,-.13,;5.19,1.41,;3.85,2.18,;2.52,1.41,;6.52,2.18,;7.85,1.41,;9.19,2.18,;10.52,1.41,;-2.82,-.13,;-4.15,-.9,;-5.48,-.13,)|

BDBM439286

Cn1cc(nn1)-c1ccc2cnc(NC(=O)c3ccnc(c3)N3CC[N+](C)([O-])CC3)cc2c1

BDBM439287

Cn1cc(nn1)-c1ccc2cnc(NC(=O)c3cc[n+]([O-])c(c3)N3CC[N+](C)([O-])CC3)cc2c1

BDBM439289

CN(C1CCN(C)CC1)C(=O)Nc1cc2cc(cc(F)c2cn1)-c1nnc(C)s1

BDBM439290

CN(C1CCN(C)CC1)C(=O)Nc1cc2cc(cc(F)c2cn1)-c1cn(C)nn1

BDBM439291

CN(C1CCN(C)CC1)C(=O)Nc1cc2cc(cc(F)c2cn1)-c1cnc(C)o1

BDBM439292

CN(C1CCN(C)CC1)C(=O)Nc1cc2cc(cc(F)c2cn1)-c1cnn(C)c1

BDBM439293

CN(C1CCN(C)CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnc(C)o1

BDBM442793

CN1CCN(CC1)c1cc(ccn1)C(=O)Nc1cc2cc(ccc2cn1)-c1cc(N)cc(F)c1

BDBM442795

CC(C)Nc1cc(F)cc(c1)-c1ccc2cnc(NC(=O)c3ccnc(c3)N3CCN(C)CC3)cc2c1

BDBM442797

CN1CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1ccccn1

BDBM442808

CN1CCN(CC1)c1cc(ccn1)C(=C)Nc1cc2cc(ccc2cn1)-c1ccccn1

BDBM442809

CN1CCN(CC1)c1cc(ccn1)C(=O)Nc1cc2cc(ccc2cn1)-c1ccnnc1

BDBM442810

O=C(Nc1cc2cc(ccc2cn1)-c1cccnc1)C1CC1

BDBM442813

O=C(CN1CCCC1)Nc1cc2cc(ccc2cn1)-c1cccnc1

BDBM442818

CN1CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cccnc1

BDBM442820

O=C(Nc1cc2cc(ccc2cn1)-c1cccnc1)C12CCN(CC1)CC2

BDBM442821

O=C(CN1CCOCC1)Nc1cc2cc(ccc2cn1)-c1cccnc1

BDBM442823

CN1CCN(CC(=O)Nc2cc3cc(ccc3cn2)-c2cccnc2)CC1

BDBM442824

CN1CCCN(CC(=O)Nc2cc3cc(ccc3cn2)-c2cccnc2)CC1

BDBM442825

CN1CCN(CC1)c1ccc(CC(=O)Nc2cc3cc(ccc3cn2)-c2cccnc2)cc1

BDBM442826

Cc1nccn1CC(=O)Nc1cc2cc(ccc2cn1)-c1cccnc1

BDBM442827

O=C(Cn1ccnc1)Nc1cc2cc(ccc2cn1)-c1cccnc1

BDBM442829

Fc1cncc(c1)-c1ccc2cnc(NC(=O)[C@H]3C[C@@H](C3)N3CCOCC3)cc2c1 |r,wU:19.22,wD:17.17,(-1.33,3.85,;-1.33,2.31,;-2.67,1.54,;-2.67,,;-1.33,-.77,;;,1.54,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;8,,;8,1.54,;6.67,2.31,;9.34,2.31,;10.82,1.91,;11.22,3.4,;9.73,3.8,;12.56,4.17,;12.56,5.71,;13.89,6.48,;15.22,5.71,;15.22,4.17,;13.89,3.4,;5.33,,;4,-.77,;2.67,,)|

BDBM442830

CN1CCN(C[C@H]2CC[C@@H](CC2)C(=O)Nc2cc3cc(ccc3cn2)-c2cncc(F)c2)CC1 |r,wU:6.5,wD:9.12,(18.67,1.54,;17.34,2.31,;17.34,3.85,;16,4.62,;14.67,3.85,;13.34,4.62,;12,3.85,;12,2.31,;10.67,1.54,;9.34,2.31,;9.34,3.85,;10.67,4.62,;8,1.54,;6.67,2.31,;8,,;6.67,-.77,;5.33,,;4,-.77,;2.67,,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;;-1.33,-.77,;-2.67,,;-2.67,1.54,;-1.33,2.31,;-1.33,3.85,;,1.54,;14.67,2.31,;16,1.54,)|

BDBM442831

Fc1cncc(c1)-c1ccc2cnc(NC(=O)CN3CCCC3)cc2c1

BDBM442834

CN1CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cncc(F)c1

BDBM442835

CN1CCN(CC(=O)Nc2cc3cc(ccc3cn2)-c2ccc(F)nc2)CC1

BDBM442836

Fc1cncc(c1)-c1ccc2cnc(NC(=O)CN3CCNCC3)cc2c1

BDBM442837

Fc1cncc(c1)-c1ccc2cnc(NC(=O)CCC3CCOCC3)cc2c1

BDBM442838

CN1CCN(CC1)c1cc(ccn1)C(=O)Nc1cc2cc(ccc2cn1)-c1cncc(F)c1

BDBM442839

CN1CCN(CC1)c1cc(ccn1)C(=O)Nc1cc2cc(ccc2cn1)-c1cncc(Cl)c1

BDBM442840

FC(F)c1cncc(c1)-c1ccc2cnc(NC(=O)c3cccc(c3)C3CCNCC3)cc2c1

BDBM442841

CN1CCC(CC1)c1cccc(c1)C(=O)Nc1cc2cc(ccc2cn1)-c1cncc(c1)C(F)F

BDBM442842

CN1CCN(CC1)c1cc(ccn1)C(=O)Nc1cc2cc(ccc2cn1)-c1cncc(c1)C(F)F

BDBM442843

CN1CCN(CC(=O)Nc2cc3cc(ccc3cn2)-c2cncc(c2)C(F)(F)F)CC1

BDBM442845

CN1CCN(CC(=O)Nc2cc3cc(ccc3cn2)-c2ccc(nc2)C(F)(F)F)CC1

BDBM442846

CN1CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1ccc(CO)nc1

BDBM442847

CN1CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cncc(c1)C#N

BDBM442848

COc1cncc(c1)-c1ccc2cnc(NC(=O)C3CCN(C)CC3)cc2c1

BDBM442849

COc1cncc(c1)-c1ccc2cnc(NC(=O)c3ccnc(c3)N3CCN(C)CC3)cc2c1

BDBM442850

Fc1ccc(cc1)C(=O)Nc1cc2cc(ccc2cn1)-c1cncc(OC2CCNCC2)c1

BDBM442851

Nc1cncc(c1)-c1ccc2cnc(NC(=O)c3ccc(F)cc3)cc2c1

BDBM442853

Nc1cncc(c1)-c1ccc2cnc(NC(=O)c3ccc(OC4CCNCC4)cc3)cc2c1

BDBM442854

CN1CCN(CC1)c1ccc(cn1)C(=O)Nc1cc2cc(ccc2cn1)-c1cncc(N)c1

BDBM442856

CN1CCN(CC1)c1ccc(cn1)C(=O)Nc1cc2cc(ccc2cn1)-c1ccc(N)nc1

BDBM442857

CNc1ccc(cn1)-c1ccc2cnc(NC(=O)c3ccc(nc3)N3CCN(C)CC3)cc2c1

BDBM442858

CC(C)Nc1cncc(c1)-c1ccc2cnc(NC(=O)c3cccc(c3)C3CCNCC3)cc2c1

BDBM442859

CC(C)Nc1cncc(c1)-c1ccc2cnc(NC(=O)c3cccc(c3)C3CCN(C)CC3)cc2c1

BDBM442861

CC(C)Nc1cncc(c1)-c1ccc2cnc(NC(=O)c3ccnc(c3)N3CCN(C)CC3)cc2c1

BDBM442862

O=C(Nc1cc2cc(ccc2cn1)-c1cncc(NC2CCNCC2)n1)C1CCCCC1

BDBM442863

Fc1ccc(cc1)C(=O)Nc1cc2cc(ccc2cn1)-c1cncc(NC2CCNCC2)n1

BDBM442864

CN1CCC(CC1)Nc1cncc(c1)-c1ccc2cnc(NC(=O)c3ccc(F)cc3)cc2c1

BDBM442865

CN1CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cncc(NC(C)=O)c1

BDBM442866

CN(C)c1cncc(c1)-c1ccc2cnc(NC(=O)c3ccnc(c3)N3CCNCC3)cc2c1

BDBM442867

CN(C)c1ccc(cn1)-c1ccc2cnc(NC(=O)c3ccnc(c3)N3CCN(C)CC3)cc2c1

BDBM442868

CN1CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cncc(c1)N1CCCC1

BDBM442869

O=C(Nc1cc2cc(ccc2cn1)-c1cncc(CN2CCCC2)c1)C1CC1

BDBM442870

Fc1ccc(cc1)C(=O)Nc1cc2cc(ccc2cn1)-c1cncc(CN2CCCC2)c1

BDBM442871

CN1CCN(Cc2cncc(c2)-c2ccc3cnc(NC(=O)C4CC4)cc3c2)CC1

BDBM442872

Cc1ccc(cc1)C(=O)Nc1cc2cc(ccc2cn1)-c1cncc(CN2CCN(O)CC2)c1

BDBM442873

O=C(Nc1cc2cc(ccc2cn1)-c1cncc(OC2CCNCC2)c1)C1CC1

BDBM442875

O=C(Nc1cc2cc(ccc2cn1)-c1cncc(CN2CCOCC2)c1)C1CC1

BDBM442876

CNC(=O)c1cncc(c1)-c1ccc2cnc(NC(=O)C3CCN(C)CC3)cc2c1

BDBM442877

CNC(=O)c1cncc(c1)-c1ccc2cnc(NC(=O)c3ccnc(c3)N3CCN(C)CC3)cc2c1

BDBM442881

CN1CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnc(C)nc1

BDBM442882

CN1CCN(CC1)c1cc(ccn1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnc(C)nc1

BDBM442884

O=C(Nc1cc2cc(ccc2cn1)-c1cccnn1)N1CCOCC1

BDBM442885

O=C(CN1CCOCC1)Nc1cc2cc(ccc2cn1)-c1ccnnn1

BDBM442886

O=C(CN1CCCC1)Nc1cc2cc(ccc2cn1)-c1ccnnc1

BDBM442887

O=C(Nc1cc2cc(ccc2cn1)-c1cnccn1)C1C[C@@H](C1)N1CCOCC1 |r,wU:21.26,(6.67,2.31,;8,1.54,;8,,;6.67,-.77,;5.33,,;4,-.77,;2.67,,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;;-1.33,-.77,;-2.67,,;-2.67,1.54,;-1.33,2.31,;,1.54,;9.34,2.31,;10.87,2.15,;11.34,3.61,;9.81,3.77,;12.63,4.45,;13.97,3.68,;15.3,4.45,;15.3,5.99,;13.97,6.76,;12.63,5.99,)|

BDBM442888

CN(C)[C@H]1CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnccn1 |r,wU:3.2,(13.34,6.16,;13.34,4.62,;14.67,3.85,;12,3.85,;12,2.31,;10.67,1.54,;9.34,2.31,;9.34,3.85,;10.67,4.62,;8,1.54,;6.67,2.31,;8,,;6.67,-.77,;5.33,,;4,-.77,;2.67,,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;;-1.33,-.77,;-2.67,,;-2.67,1.54,;-1.33,2.31,;,1.54,)|

BDBM442889

O=C(Nc1cc2cc(ccc2cn1)-c1cnccn1)C1CC[C@@H](CC1)N1CCOCC1 |r,wU:22.28,(6.67,2.31,;8,1.54,;8,,;6.67,-.77,;5.33,,;4,-.77,;2.67,,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;;-1.33,-.77,;-2.67,,;-2.67,1.54,;-1.33,2.31,;,1.54,;9.34,2.31,;10.67,1.54,;12,2.31,;12,3.85,;10.67,4.62,;9.34,3.85,;13.34,4.62,;14.67,3.85,;16,4.62,;16,6.16,;14.67,6.93,;13.34,6.16,)|

BDBM442891

CC1CN(C[C@H]2CCC(CC2)C(=O)Nc2cc3cc(ccc3cn2)-c2cnccn2)C1 |r,wU:5.4,(18.27,1.92,;16.97,2.74,;15.28,2.68,;14.8,4.14,;13.34,4.62,;12,3.85,;12,2.31,;10.67,1.54,;9.34,2.31,;9.34,3.85,;10.67,4.62,;8,1.54,;6.67,2.31,;8,,;6.67,-.77,;5.33,,;4,-.77,;2.67,,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;;-1.33,-.77,;-2.67,,;-2.67,1.54,;-1.33,2.31,;,1.54,;16.34,4.14,)|

BDBM442892

CN1CCN(C[C@H]2CCC(CC2)C(=O)Nc2cc3cc(ccc3cn2)-c2cnccn2)CC1 |r,wU:6.5,(19.2,2.72,;17.73,3.19,;16.59,2.16,;15.12,2.64,;14.8,4.14,;13.34,4.62,;12,3.85,;12,2.31,;10.67,1.54,;9.34,2.31,;9.34,3.85,;10.67,4.62,;8,1.54,;6.67,2.31,;8,,;6.67,-.77,;5.33,,;4,-.77,;2.67,,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;;-1.33,-.77,;-2.67,,;-2.67,1.54,;-1.33,2.31,;,1.54,;15.95,5.17,;17.41,4.7,)|

BDBM442893

O=C(CN1CCCC1)Nc1cc2cc(ccc2cn1)-c1cnccn1

BDBM442894

O=C(Nc1cc2cc(ccc2cn1)-c1cnccn1)C1CCNCC1

BDBM442895

CN1CCC(F)(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnccn1

BDBM442896

FCCN1CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnccn1

BDBM442897

O=C(Nc1cc2cc(ccc2cn1)-c1cnccn1)C1CCN(CC1)C1COC1

BDBM442898

O=C(CN1CCOCC1)Nc1cc2cc(ccc2cn1)-c1cnccn1

BDBM442899

CN1CCCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnccn1

BDBM442900

CC(C)CN1CCCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnccn1

BDBM442901

CC(C)(C)CN1CCCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnccn1

BDBM442902

O=C(Nc1cc2cc(ccc2cn1)-c1cnccn1)c1ccc(CN2CCOCC2)cc1

BDBM442903

CN1CCN(CC1)c1cc(ccn1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnccn1

BDBM442905

CNc1cncc(n1)-c1ccc2cnc(NC(=O)c3ccnc(c3)N3CCN(C)CC3)cc2c1

BDBM442906

CC(C)Nc1cncc(n1)-c1ccc2cnc(NC(=O)C3CCC3)cc2c1

BDBM442907

CC(C)Nc1cncc(n1)-c1ccc2cnc(NC(=O)C3CCNCC3)cc2c1

BDBM442908

CC(C)Nc1cncc(n1)-c1ccc2cnc(NC(=O)C3CCN(C)CC3)cc2c1

BDBM442909

CC(C)Nc1cncc(n1)-c1ccc2cnc(NC(=O)C3CCN(CCF)CC3)cc2c1

BDBM442911

CC(C)Nc1cncc(n1)-c1ccc2cnc(NC(=O)C3CCN(CC3)C(C)C)cc2c1

BDBM442912

CC(C)CCN1CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cncc(NC(C)C)n1

BDBM442913

CC(C)Nc1cncc(n1)-c1ccc2cnc(NC(=O)c3cccc(c3)C3CCNCC3)cc2c1

BDBM442914

CC(C)Nc1cncc(n1)-c1ccc2cnc(NC(=O)c3cccc(c3)C3CCN(C)CC3)cc2c1

BDBM442915

CC(C)Nc1cncc(n1)-c1ccc2cnc(NC(=O)c3cn(nn3)C3CCNCC3)cc2c1

BDBM442916

CC(C)Nc1cncc(n1)-c1ccc2cnc(NC(=O)c3cn(nn3)C3CCN(CCF)CC3)cc2c1

BDBM442917

CC(C)Nc1cncc(n1)-c1ccc2cnc(NC(=O)c3cn(nn3)C3CCN(CC3)C(C)C)cc2c1

BDBM442918

CC(C)Nc1cncc(n1)-c1ccc2cnc(NC(=O)c3ccnc(c3)N3CCN(C)CC3)cc2c1

BDBM442919

CN(C)C1CN(C1)c1cc(ccn1)C(=O)Nc1cc2cc(ccc2cn1)-c1cncc(NC(C)(C)C)n1

BDBM442920

CN1CCC(=CC1)c1cc(ccn1)C(=O)Nc1cc2cc(ccc2cn1)-c1cncc(NC(C)(C)C)n1 |c:4|

BDBM442921

CN1CCN(CC1)c1cc(ccn1)C(=O)Nc1cc2cc(ccc2cn1)-c1cncc(NC(C)(C)C)n1

BDBM442922

CC(C)N1CCN(CC1)c1cc(ccn1)C(=O)Nc1cc2cc(ccc2cn1)-c1cncc(NC(C)(C)C)n1

BDBM442923

CC(C)(C)Nc1cncc(n1)-c1ccc2cnc(NC(=O)c3ccnc(c3)N3CCOCC3)cc2c1

BDBM442924

FC1(CNc2cncc(n2)-c2ccc3cnc(NC(=O)C4CC4)cc3c2)CNC1

BDBM442925

Fc1ccc(cc1)C(=O)Nc1cc2cc(ccc2cn1)-c1cncc(NCC2(F)CNC2)n1

BDBM442927

CCC(C)C(=O)Nc1cc2cc(ccc2cn1)-c1cncc(NCC2CCNCC2)n1

BDBM442928

FC1(F)CC(C1)C(=O)Nc1cc2cc(ccc2cn1)-c1cncc(NC2CCNCC2)n1

BDBM442929

O=C(Nc1cc2cc(ccc2cn1)-c1cncc(NC2CCNCC2)n1)C1CCCC1

BDBM442930

FC1(F)CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cncc(NC2CCNCC2)n1

BDBM442931

O=C(Nc1cc2cc(ccc2cn1)-c1cncc(NC2CCNCC2)n1)C1CCOCC1

BDBM442933

F[C@H]1CNCCC1Nc1cncc(n1)-c1ccc2cnc(NC(=O)C3CC3)cc2c1 |r|

BDBM442934

F[C@H]1CNCC[C@@H]1Nc1cncc(n1)-c1ccc2cnc(NC(=O)c3ccc(F)cc3)cc2c1

BDBM442935

CN1CCC(CC1)Nc1cncc(n1)-c1ccc2cnc(NC(=O)C3CCC3)cc2c1

BDBM442936

CN1CCC(CC1)Nc1cncc(n1)-c1ccc2cnc(NC(=O)C3CCCC3)cc2c1

BDBM442937

CN1CCC(CC1)Nc1cncc(n1)-c1ccc2cnc(NC(=O)c3ccccc3)cc2c1

BDBM442938

CC(C)N1CCC(CC1)Nc1cncc(n1)-c1ccc2cnc(NC(=O)C3CC3)cc2c1

BDBM442939

CC(C)N1CCC(CC1)Nc1cncc(n1)-c1ccc2cnc(NC(=O)C3CC(F)(F)C3)cc2c1

BDBM442940

CC(C)N1CCC(CC1)Nc1cncc(n1)-c1ccc2cnc(NC(=O)C3CCCC3)cc2c1

BDBM442941

CC(C)N1CCC(CC1)Nc1cncc(n1)-c1ccc2cnc(NC(=O)c3ccc(F)cc3)cc2c1

BDBM442942

CN(C)c1cncc(n1)-c1ccc2cnc(NC(=O)c3ccnc(c3)N3CCN(C)CC3)cc2c1

BDBM442943

CCN(CC)c1cncc(n1)-c1ccc2cnc(NC(=O)c3ccnc(c3)N3CCN(C)CC3)cc2c1

BDBM442944

NC1CN(C1)c1cncc(n1)-c1ccc2cnc(NC(=O)c3ccc(F)cc3)cc2c1

BDBM442945

CN1CCN(CC1)c1cc(ccn1)C(=O)Nc1cc2cc(ccc2cn1)-c1cncc(n1)N1CCCC1

BDBM442947

Fc1ccc(cc1)C(=O)Nc1cc2cc(ccc2cn1)-c1cncc(OCC2CNC2)n1

BDBM442949

Fc1ccc(cc1)C(=O)Nc1cc2cc(ccc2cn1)-c1cncc(OC2CNC2)n1

BDBM442950

CN1CCC(CC1)n1cc(cn1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnc2[nH]ccc2c1

BDBM442951

CN1CCC(CC1)n1cc(cn1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnc2cc[nH]c2c1

BDBM442952

CN1CCC(CC1)n1cc(cn1)C(=O)Nc1cc2cc(ccc2cn1)-c1cncc2[nH]ccc12

BDBM442953

CN1CCN(CC1)c1cc(ccn1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnc2[nH]ccc2c1

BDBM442954

CN1CCN(CC1)c1cc(ccn1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnc2cc[nH]c2c1

BDBM442955

CN1CCN(CC1)c1cc(ccn1)C(=O)Nc1cc2cc(ccc2cn1)-c1cncc2[nH]ccc12

BDBM442956

CN1CCN(CC1)c1cc(ccn1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnc2ocnc2c1

BDBM442957

CN1CCN(CC1)c1cc(ccn1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnc2[nH]c(C)cc2c1

BDBM442958

CN1CCN(CC1)c1cc(ccn1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnc2[nH]cc(C)c2c1

BDBM442959

CN1CCN(CC1)c1cc(ccn1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnc2cc(C)[nH]c2c1

BDBM442961

CN1CCN(CC1)c1cc(ccn1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnc2[nH]ccc2n1

BDBM442962

CN1CCN(CC1)c1cc(ccn1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnc2cc[nH]c2n1

BDBM442963

CC(C)n1cc(cn1)C(=O)Nc1cc2cc(ccc2cn1)-c1cncc(NC2CCNCC2)n1

BDBM442964

CC(C)n1cc(cn1)C(=O)Nc1cc2cc(ccc2cn1)-c1cncc(NC2CCN(C)CC2)n1

BDBM442965

O=C(Nc1cc2cc(ccc2cn1)-c1cccnc1)c1coc(n1)C1CCNCC1

BDBM442966

Fc1cncc(c1)-c1ccc2cnc(NC(=O)c3coc(n3)C3CCNCC3)cc2c1

BDBM442967

CN1CCC(CC1)c1nc(co1)C(=O)Nc1cc2cc(ccc2cn1)-c1cccnc1

BDBM442968

CN1CCC(CC1)c1nc(co1)C(=O)Nc1cc2cc(ccc2cn1)-c1cncc(F)c1

BDBM442969

Fc1cc2cnc(NC(=O)CN3CCOCC3)cc2cc1-c1cccnc1

BDBM442970

CN1CCN(CC(=O)Nc2cc3cc(c(F)cc3cn2)-c2cccnc2)CC1

BDBM442971

Cc1cncc(c1)-c1ccc2cnc(NC(=O)CN3CCOCC3)cc2c1

BDBM442972

COc1cncc(c1)-c1ccc2cnc(NC(=O)CN3CCOCC3)cc2c1

BDBM442973

Nc1cncc(c1)-c1ccc2cnc(NC(=O)c3coc(n3)C3CCNCC3)cc2c1

BDBM442974

CC(C)N1CCC(CC1)c1nc(co1)C(=O)Nc1cc2cc(ccc2cn1)-c1cccnc1

BDBM442975

CC(C)N1CCC(CC1)c1nc(CC(=O)Nc2cc3cc(ccc3cn2)-c2cncc(F)c2)co1

BDBM50239229

C(Nc1nc(nc2cccc(-c3ccccc3)c12)-c1cncnc1)c1ccccn1

BDBM458400

CC(C)n1cc(cn1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(c1)C1CCN(C)CC1

BDBM458408

Cn1cc(cn1)-c1ccc2cnc(NC(=O)c3cnn(c3)C3CCNCC3)cc2c1

BDBM458411

CN1CCC(CC1)n1cc(cn1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1

BDBM458415

CCN1CCC(CC1)n1cc(cn1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1

BDBM458417

Cn1cc(cn1)-c1ccc2cnc(NC(=O)c3cnn(c3)C3CCN(CCF)CC3)cc2c1

BDBM458418

CC(C)N1CCC(CC1)n1cc(cn1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1

BDBM458419

Cn1cc(cn1)-c1ccc2cnc(NC(=O)c3cnn(c3)C3CCN(CC3)C3CC3)cc2c1

BDBM458420

CC(C)OC(=O)N1CCC(CC1)n1cc(cn1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1

BDBM458424

Cn1cc(cn1)-c1ccc2cnc(NC(=O)c3cn(nn3)C3CCNCC3)cc2c1

BDBM458425

CN1CCC(CC1)n1cc(nn1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1

BDBM458427

Cn1cc(cn1)-c1ccc2cnc(NC(=O)c3cn(nn3)C3CCN(CCF)CC3)cc2c1

BDBM458428

CC(C)N1CCC(CC1)n1cc(nn1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1

BDBM458429

CN1CCC(CC1)c1ncc(o1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1

BDBM458430

Cn1cc(cn1)-c1ccc2cnc(NC(=O)c3coc(n3)C3CCNCC3)cc2c1

BDBM458431

CN1CCC(CC1)c1cc(co1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1

BDBM458432

CN(C)C1CN(C1)c1nc(co1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1

BDBM458434

CN1CCC(CC1)c1nc(co1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1

BDBM458435

Cn1cc(cn1)-c1ccc2cnc(NC(=O)c3coc(n3)C3CCN(CCF)CC3)cc2c1

BDBM458436

CC(C)N1CCC(CC1)c1nc(co1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1

BDBM458437

CN1CCN(CC1)c1nc(co1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1

BDBM458438

CN(C)C1CN(C1)c1ncc(s1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1

BDBM458439

Cn1cc(cn1)-c1ccc2cnc(NC(=O)c3csc(n3)C3CCNCC3)cc2c1

BDBM458440

CN1CCN(CC1)c1nc(cs1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1

BDBM458441

Cn1cc(cn1)-c1ccc2cnc(NC(=O)c3csc(n3)C3CCN(CCF)CC3)cc2c1

BDBM458442

CN1CCC(CC1)n1cc(cn1)-c1ccc2cnc(NC(=O)c3cnc(C)s3)cc2c1

BDBM458443

Cn1cc(nn1)-c1ccc2cnc(NC(=O)c3cnn(c3)C3CCNCC3)cc2c1

BDBM458444

CN1CCC(CC1)n1cc(cn1)C(=O)Nc1cc2cc(ccc2cn1)-c1cn(C)nn1

BDBM458445

CCN1CCC(CC1)n1cc(cn1)C(=O)Nc1cc2cc(ccc2cn1)-c1cn(C)nn1

BDBM458446

CC(C)N1CCC(CC1)n1cc(cn1)C(=O)Nc1cc2cc(ccc2cn1)-c1cn(C)nn1

BDBM458447

Cn1cc(nn1)-c1ccc2cnc(NC(=O)c3cn(nn3)C3CCNCC3)cc2c1

BDBM458448

Cn1cc(nn1)-c1ccc2cnc(NC(=O)c3cn(nn3)C3CCN(CCF)CC3)cc2c1

BDBM458449

CC(C)N1CCC(CC1)n1cc(nn1)C(=O)Nc1cc2cc(ccc2cn1)-c1cn(C)nn1

BDBM458450

Cn1cc(nn1)-c1ccc2cnc(NC(=O)c3coc(n3)C3CCNCC3)cc2c1

BDBM458451

CN1CCC(CC1)c1nc(co1)C(=O)Nc1cc2cc(ccc2cn1)-c1cn(C)nn1

BDBM458452

CC(C)N1CCC(CC1)c1nc(co1)C(=O)Nc1cc2cc(ccc2cn1)-c1cn(C)nn1

BDBM458453

CC(C)N1CCC(CC1)c1nc(cs1)C(=O)Nc1cc2cc(ccc2cn1)-c1cn(C)nn1

BDBM458454

Cn1cc(cn1)C(=O)Nc1cc2cc(ccc2cn1)-c1cncn1C

BDBM458455

CCn1cc(cn1)C(=O)Nc1cc2cc(ccc2cn1)-c1cncn1C

BDBM458456

CC(C)n1cc(cn1)C(=O)Nc1cc2cc(ccc2cn1)-c1cncn1C

BDBM458458

Cn1cncc1-c1ccc2cnc(NC(=O)c3cnn(c3)C3CC3)cc2c1

BDBM458459

CC(C)Cn1cc(cn1)C(=O)Nc1cc2cc(ccc2cn1)-c1cncn1C

BDBM458460

Cn1ccc(n1)C(=O)Nc1cc2cc(ccc2cn1)-c1cncn1C

BDBM458461

Cn1cc(CC(=O)Nc2cc3cc(ccc3cn2)-c2cncn2C)cn1

BDBM458462

Cn1cnc(c1)C(=O)Nc1cc2cc(ccc2cn1)-c1cncn1C

BDBM458463

CC(C)n1cnc(c1)C(=O)Nc1cc2cc(ccc2cn1)-c1cncn1C

BDBM458464

Cn1cncc1-c1ccc2cnc(NC(=O)c3cn(cn3)C3CCOCC3)cc2c1

BDBM458465

Cc1ncc(C(=O)Nc2cc3cc(ccc3cn2)-c2cncn2C)n1C

BDBM458466

Cn1cnc(n1)C(=O)Nc1cc2cc(ccc2cn1)-c1cncn1C

BDBM458467

Cc1nc(co1)C(=O)Nc1cc2cc(ccc2cn1)-c1cncn1C

BDBM458468

CC(C)c1nc(co1)C(=O)Nc1cc2cc(ccc2cn1)-c1cncn1C

BDBM458469

Cc1coc(n1)C(=O)Nc1cc2cc(ccc2cn1)-c1cncn1C

BDBM458470

Cc1csc(n1)C(=O)Nc1cc2cc(ccc2cn1)-c1cncn1C

BDBM458471

Cc1nc(cs1)C(=O)Nc1cc2cc(ccc2cn1)-c1cncn1C

BDBM458472

Cc1nnc(o1)C(=O)Nc1cc2cc(ccc2cn1)-c1cncn1C

BDBM458473

Cc1nnc(s1)C(=O)Nc1cc2cc(ccc2cn1)-c1cncn1C

BDBM458474

Cc1ncc(-c2ccc3cnc(NC(=O)c4cnn(C)c4)cc3c2)n1C

BDBM458475

CC(C)n1cc(cn1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnc(C)n1C

BDBM458476

Cc1ncc(s1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnc(C)n1C

BDBM458477

CN1CCC(CC1)n1cc(cn1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnc(C)o1

BDBM458478

Cc1ncc(o1)-c1ccc2cnc(NC(=O)Cn3ccnc3)cc2c1

BDBM458479

CN1CCC(CC1)n1cc(cn1)C(=O)Nc1cc2cc(ccc2cn1)-c1nnc(C)s1

BDBM458480

CC(C)N1CCC(CC1)n1cc(cn1)C(=O)Nc1cc2cc(ccc2cn1)-c1nnc(C)s1

BDBM458481

CN1CCC(CC1)n1cc(nn1)C(=O)Nc1cc2cc(ccc2cn1)-c1nnc(C)s1

BDBM458482

Cc1nnc(s1)-c1ccc2cnc(NC(=O)c3coc(n3)C3CCNCC3)cc2c1

BDBM458483

CN1CCC(CC1)c1nc(co1)C(=O)Nc1cc2cc(ccc2cn1)-c1nnc(C)s1

BDBM458484

CC(C)n1cc(cn1)C(=O)Nc1cc2cc(ccc2cn1)-c1cncn1C(C)C

BDBM459180

O=C1CCc2cccc(c2)-c2cccc3[nH]c(nc23)-c2n[nH]c3ccc(cc23)-c2cncc(N1)c2

BDBM459181

O=C1CCc2cccc(c2)-c2nccc3[nH]c(nc23)-c2n[nH]c3ccc(cc23)-c2cncc(N1)c2

BDBM459182

O=C1CCc2cccc(c2)-c2cncc3[nH]c(nc23)-c2n[nH]c3ccc(cc23)-c2cncc(N1)c2

BDBM459183

O=C1CCc2cccc(c2)-c2ccnc3[nH]c(nc23)-c2n[nH]c3ccc(cc23)-c2cncc(N1)c2

BDBM459184

O=C1CCc2cccc(c2)-c2cccc3[nH]c(nc23)-c2n[nH]c3ncc(cc23)-c2cncc(N1)c2

BDBM459185

O=C1CCc2cccc(c2)-c2cccc3[nH]c(nc23)-c2n[nH]c3cnc(cc23)-c2cncc(N1)c2

BDBM459186

O=C1CCc2cccc(c2)-c2cccc3[nH]c(nc23)-c2n[nH]c3ccc(nc23)-c2cncc(N1)c2

BDBM459187

C1NCc2cncc(c2)-c2ccc3[nH]nc(-c4nc5c(cncc5[nH]4)-c4cccc1c4)c3c2

BDBM459188

C1NCc2cncc(c2)-c2ccc3[nH]nc(-c4nc5c(cccc5[nH]4)-c4cccc1c4)c3c2

BDBM459189

Cn1ncc-2c1CNCc1cccc(c1)-c1cccc3[nH]c(nc13)-c1n[nH]c3ccc-2cc13

BDBM459190

CN1Cc2cccc(c2)-c2cccc3[nH]c(nc23)-c2n[nH]c3ccc(cc23)-c2cncc(C1)c2

BDBM459191

CN1Cc2c(cnn2C)-c2ccc3[nH]nc(-c4nc5c(cccc5[nH]4)-c4cccc(C1)c4)c3c2

BDBM459192

O=C1COc2cccc(c2)-c2cncc3[nH]c(nc23)-c2n[nH]c3ccc(cc23)-c2cncc(N1)c2

BDBM459193

CN1CCCn2cc(nn2)-c2cncc3[nH]c(nc23)-c2n[nH]c3ccc(cc23)-c2cncc(C1)c2

BDBM459194

CN1CCCCN(C)c2nccc3[nH]c(nc23)-c2n[nH]c3ccc(cc23)-c2cncc(C1)c2

BDBM459195

C1COc2cncc(c2)-c2ccc3[nH]nc(-c4nc5c(cccc5[nH]4)-c4cccc(C1)c4)c3c2

BDBM459196

O=C1NC2CCC(CC2)NCc2cncc(c2)-c2ccc3[nH]nc(-c4nc5c1cccc5[nH]4)c3c2 |(.21,1.74,;.98,3.07,;.12,4.41,;-1.34,5.18,;-2.83,5.57,;-3.61,4.25,;-4.95,3.5,;-3.47,3.1,;-2.69,4.43,;-5.35,2.01,;-4.11,1.24,;-4.16,-.18,;-5.49,-.95,;-5.49,-2.49,;-4.16,-3.26,;-2.82,-2.49,;-2.82,-.95,;-1.49,-3.26,;-1.49,-4.8,;-.15,-5.57,;1.18,-4.8,;2.64,-5.28,;3.55,-4.03,;2.64,-2.79,;3.04,-1.3,;2.07,-.1,;2.91,1.19,;2.51,2.67,;3.6,3.76,;5.09,3.36,;5.49,1.88,;4.4,.79,;4.48,-.75,;1.18,-3.26,;-.15,-2.49,)|

BDBM459197

O=C1CCCc2cccc(c2)-c2cccc3[nH]c(nc23)-c2n[nH]c3ccc(cc23)-c2cncc(N1)c2

BDBM459198

O=C1CCc2cccc(c2)-c2cncc(NC(=O)c3n[nH]c4ccc(cc34)-c3cncc(CN1)c3)c2

BDBM459199

C1COc2cccc(c2)-c2cccc3[nH]c(nc23)-c2n[nH]c3ccc(cc23)-c2cncc(N1)n2

BDBM484607

CC(C)CNC(=O)c1n[nH]c2ccc(cc12)-c1cn[nH]c1

BDBM484608

CC(C)CNC(=O)c1n[nH]c2ccc(cc12)-c1cnn(C)c1

BDBM484609

C[C@@H](NC(=O)c1n[nH]c2ccc(cc12)-c1cnn(C)c1)C(F)(F)F |r|

BDBM484610

C[C@H](NC(=O)c1n[nH]c2ccc(cc12)-c1cnn(C)c1)C(F)(F)F |r|

BDBM484611

Cn1cc(cn1)-c1ccc2[nH]nc(C(=O)NCCC(F)(F)F)c2c1

BDBM484612

Cn1cc(cn1)-c1cc(F)c2[nH]nc(C(=O)NCCC(F)(F)F)c2c1

BDBM484613

CC(C)NC(=O)c1n[nH]c2ccc(cc12)-c1cnn(c1)C1CCNCC1

BDBM484614

Cn1cc(cn1)-c1ccc2[nH]nc(C(=O)NCC3CCC(F)(F)CC3)c2c1

BDBM484615

Cn1cc(cn1)-c1ccc2[nH]nc(C(=O)N[C@@H]3CCCC[C@H]3F)c2c1 |r|

BDBM484616

Cn1cc(cn1)-c1cc2c(n[nH]c2cc1F)C(=O)N[C@@H]1CCCC[C@H]1F |r|

BDBM484617

Cn1cc(cn1)-c1cc(F)c2[nH]nc(C(=O)N[C@@H]3CCCC[C@H]3F)c2c1 |r|

BDBM484618

F[C@@H]1CCCC[C@H]1NC(=O)c1n[nH]c2ccc(cc12)-c1cnn(c1)C1CC1 |r|

BDBM484619

Cc1ncc(-c2ccc3[nH]nc(C(=O)N[C@@H]4CCCC[C@H]4F)c3c2)n1C |r|

BDBM484620

Cn1cc(cn1)-c1ccc2[nH]nc(C(=O)NC3CCC(F)(F)CC3)c2c1

BDBM484621

Cn1cc(cn1)-c1cc2c(n[nH]c2cc1F)C(=O)NC1CCC(F)(F)CC1

BDBM484622

Cn1cc(cn1)-c1cc(F)c2[nH]nc(C(=O)NC3CCC(F)(F)CC3)c2c1

BDBM484623

Cn1cc(cn1)-c1cc(Cl)c2[nH]nc(C(=O)NC3CCC(F)(F)CC3)c2c1

BDBM484624

CCn1cc(cn1)-c1ccc2[nH]nc(C(=O)NC3CCC(F)(F)CC3)c2c1

BDBM484625

FC1(F)CCC(CC1)NC(=O)c1n[nH]c2ccc(cc12)-c1cnn(c1)C1CC1

BDBM484626

Cc1c(cnn1C)-c1ccc2[nH]nc(C(=O)NC3CCC(F)(F)CC3)c2c1

BDBM484627

Cc1nn(C)cc1-c1ccc2[nH]nc(C(=O)NC3CCC(F)(F)CC3)c2c1

BDBM484628

Cc1ncc(-c2ccc3[nH]nc(C(=O)NC4CCC(F)(F)CC4)c3c2)n1C

BDBM484629

Cn1cc(cn1)-c1ccc2[nH]nc(C(=O)N[C@H]3CC[C@H](CN4CC(F)C4)CC3)c2c1 |r,wU:19.20,wD:16.16,(-7.69,.41,;-7.29,-1.08,;-5.83,-1.56,;-5.83,-3.1,;-7.29,-3.57,;-8.2,-2.33,;-4.49,-3.87,;-4.49,-5.41,;-3.16,-6.18,;-1.83,-5.41,;-.36,-5.88,;.54,-4.64,;-.36,-3.39,;.04,-1.9,;-1.05,-.81,;1.52,-1.51,;1.92,-.02,;3.41,.38,;3.81,1.87,;2.72,2.96,;3.12,4.44,;4.61,4.84,;5.94,4.07,;6.71,5.41,;8.2,5.81,;5.38,6.18,;1.23,2.56,;.83,1.07,;-1.83,-3.87,;-3.16,-3.1,)|

BDBM484630

Cn1cc(cn1)-c1cc2c(n[nH]c2cc1F)C(=O)N[C@H]1CC[C@H](CN2CC(F)C2)CC1 |r,wU:22.25,wD:19.21,(-7.69,.41,;-7.29,-1.08,;-5.83,-1.56,;-5.83,-3.1,;-7.29,-3.57,;-8.2,-2.33,;-4.49,-3.87,;-3.16,-3.1,;-1.83,-3.87,;-.36,-3.39,;.54,-4.64,;-.36,-5.88,;-1.83,-5.41,;-3.16,-6.18,;-4.49,-5.41,;-5.83,-6.18,;.04,-1.9,;-1.05,-.81,;1.52,-1.51,;1.92,-.02,;3.41,.38,;3.81,1.87,;2.72,2.96,;3.12,4.44,;4.61,4.84,;5.94,4.07,;6.71,5.41,;8.2,5.81,;5.38,6.18,;1.23,2.56,;.83,1.07,)|

BDBM484631

CC(C)(C)n1cc(cn1)-c1ccc2[nH]nc(C(=O)N[C@H]3CC[C@H](CN4CC(F)C4)CC3)c2c1 |r,wU:22.23,wD:19.19,(-6.11,1.5,;-7.2,.41,;-8.69,.8,;-7.6,1.89,;-6.8,-1.08,;-5.34,-1.56,;-5.34,-3.1,;-6.8,-3.57,;-7.71,-2.33,;-4,-3.87,;-4,-5.41,;-2.67,-6.18,;-1.34,-5.41,;.13,-5.88,;1.03,-4.64,;.13,-3.39,;.53,-1.9,;-.56,-.81,;2.01,-1.51,;2.41,-.02,;3.9,.38,;4.3,1.87,;3.21,2.96,;3.61,4.44,;5.1,4.84,;6.43,4.07,;7.2,5.41,;8.69,5.81,;5.87,6.18,;1.72,2.56,;1.32,1.07,;-1.34,-3.87,;-2.67,-3.1,)|

BDBM484632

FC1CN(C[C@H]2CC[C@@H](CC2)NC(=O)c2n[nH]c3ccc(cc23)-c2cnn(c2)C2CC2)C1 |r,wU:5.4,wD:8.11,(8.49,5.81,;7,5.41,;6.23,4.07,;4.9,4.84,;3.41,4.44,;3.01,2.96,;4.1,1.87,;3.7,.38,;2.21,-.02,;1.13,1.07,;1.52,2.56,;1.82,-1.51,;.33,-1.9,;-.76,-.81,;-.07,-3.39,;.83,-4.64,;-.07,-5.88,;-1.54,-5.41,;-2.87,-6.18,;-4.2,-5.41,;-4.2,-3.87,;-2.87,-3.1,;-1.54,-3.87,;-5.54,-3.1,;-7,-3.57,;-7.91,-2.33,;-7,-1.08,;-5.54,-1.56,;-7.4,.41,;-7,1.89,;-8.49,1.5,;5.67,6.18,)|

BDBM484633

FC1CN(C[C@H]2CC[C@@H](CC2)NC(=O)c2n[nH]c3ccc(cc23)-c2cnn3CCCCc23)C1 |r,wU:5.4,wD:8.11,(8.2,5.81,;6.71,5.41,;5.94,4.07,;4.61,4.84,;3.12,4.44,;2.72,2.96,;3.81,1.87,;3.41,.38,;1.92,-.02,;.83,1.07,;1.23,2.56,;1.52,-1.51,;.04,-1.9,;-1.05,-.81,;-.36,-3.39,;.54,-4.64,;-.36,-5.88,;-1.83,-5.41,;-3.16,-6.18,;-4.49,-5.41,;-4.49,-3.87,;-3.16,-3.1,;-1.83,-3.87,;-5.83,-3.1,;-7.29,-3.57,;-8.2,-2.33,;-7.29,-1.08,;-7.61,.43,;-6.47,1.46,;-5,.98,;-4.68,-.53,;-5.83,-1.56,;5.38,6.18,)|

BDBM484634

Cn1cc(cn1)-c1ccc2[nH]nc(C(=O)N[C@H]3CC[C@H](CN4CCCC4)CC3)c2c1 |r,wU:19.20,wD:16.16,(-7.12,.34,;-6.74,-1.15,;-5.28,-1.62,;-5.28,-3.16,;-6.74,-3.64,;-7.65,-2.39,;-3.94,-3.93,;-3.94,-5.47,;-2.61,-6.24,;-1.28,-5.47,;.19,-5.95,;1.09,-4.7,;.19,-3.46,;.59,-1.97,;-.5,-.88,;2.07,-1.57,;2.47,-.08,;3.96,.32,;4.36,1.8,;3.27,2.89,;3.67,4.38,;5.16,4.78,;5.63,6.24,;7.17,6.24,;7.65,4.78,;6.4,3.87,;1.78,2.49,;1.38,1.01,;-1.28,-3.93,;-2.61,-3.16,)|

BDBM484635

CN1CCC(CC1)NC(=O)c1n[nH]c2ccc(cc12)-c1cc(nn1C)C(F)(F)F

BDBM484636

CC(C)CN1CC[C@H](NC(=O)c2n[nH]c3ccc(cc23)-c2cnn(C)c2)[C@H](F)C1 |r|

BDBM484637

CC(C)CN1CC[C@@H](NC(=O)c2n[nH]c3ccc(cc23)-c2cnn(C)c2)[C@@H](F)C1 |r|

BDBM484638

CC(C)CN1CC[C@@H](NC(=O)c2n[nH]c3ccc(cc23)-c2cnn(C)c2)[C@H](F)C1 |r|

BDBM484639

CC(C)CN1CC[C@H](NC(=O)c2n[nH]c3ccc(cc23)-c2cnn(C)c2)[C@@H](F)C1 |r|

BDBM484640

CC(C)CN1CC[C@H](NC(=O)c2n[nH]c3cc(F)c(cc23)-c2cnn(C)c2)[C@@H](F)C1 |r|

BDBM484641

CC(C)CN1CC[C@H](NC(=O)c2n[nH]c3c(F)cc(cc23)-c2cnn(C)c2)[C@@H](F)C1 |r|

BDBM484642

CC(C)(F)CN1CCC(CC1)NC(=O)c1n[nH]c2ccc(cc12)-c1cn[nH]c1

BDBM484643

Cn1cc(cn1)-c1ccc2[nH]nc(C(=O)NC3CCN(CC(C)(C)F)CC3)c2c1

BDBM484644

Cn1cc(cn1)-c1cc(Cl)c2[nH]nc(C(=O)NC3CCN(CC(C)(C)F)CC3)c2c1

BDBM484645

CCn1cc(cn1)-c1ccc2[nH]nc(C(=O)NC3CCN(CC(C)(C)F)CC3)c2c1

BDBM484646

CC(C)(F)CN1CCC(CC1)NC(=O)c1n[nH]c2ccc(cc12)-c1cnn(c1)C1CC1

BDBM484647

Cn1ncc(c1C(F)F)-c1ccc2[nH]nc(C(=O)NC3CCN(CC(C)(C)F)CC3)c2c1

BDBM484648

Cc1ncc(-c2ccc3[nH]nc(C(=O)NC4CCN(CC(C)(C)F)CC4)c3c2)n1C

BDBM484649

Cc1noc(C)c1-c1ccc2[nH]nc(C(=O)NC3CCN(CC(C)(C)F)CC3)c2c1

BDBM484650

C[C@H]1CC(CCN1CC(C)(C)F)NC(=O)c1n[nH]c2ccc(cc12)-c1cnn(C)c1 |r|

BDBM484652

CN1CC2(C1)CCC(CC2)NC(=O)c1n[nH]c2ccc(cc12)-c1cnn(C)c1

BDBM484653

Fc1ccc(NC(=O)c2n[nH]c3ccc(cc23)-c2cnn(c2)C2CC2)cc1

BDBM484654

Fc1ccc(NC(=O)c2n[nH]c3ccc(cc23)-c2cnn(c2)C2CNC2)cc1

BDBM484655

Fc1ccc(NC(=O)c2n[nH]c3ccc(cc23)-c2cnn(c2)C2CCNCC2)cc1

BDBM484656

Fc1ccc(NC(=O)c2n[nH]c3cc(F)c(cc23)-c2cnn(c2)C2CCNCC2)cc1

BDBM484657

Fc1cc2[nH]nc(C(=O)Nc3ccc(Cl)cc3)c2cc1-c1cnn(c1)C1CCNCC1

BDBM484658

CN1CCC(CC1)n1cc(cn1)-c1cc2c(n[nH]c2cc1F)C(=O)Nc1ccc(F)cc1

BDBM484659

Fc1ccc(NC(=O)c2n[nH]c3ccc(cc23)-c2cnc3CNCCn23)cc1

BDBM484660

Fc1ccc(NC(=O)c2n[nH]c3ccc(cc23)-c2nnc3CNCCn23)cc1

BDBM484661

FC(F)Oc1ccc(NC(=O)c2n[nH]c3ccc(cc23)-c2cnn(c2)C2CNC2)cc1

BDBM484662

FC(F)Oc1ccc(NC(=O)c2n[nH]c3ccc(cc23)-c2cnn(c2)C2CCNCC2)cc1

BDBM484663

FC(F)Oc1ccc(NC(=O)c2n[nH]c3cc(F)c(cc23)-c2cnn(c2)C2CCNCC2)cc1

BDBM484664

FC(F)Oc1ccc(NC(=O)c2n[nH]c3ccc(cc23)-c2cnn(c2)C2CCNCC2F)cc1

BDBM484665

CN1CCC(CC1)n1cc(cn1)-c1ccc2[nH]nc(C(=O)Nc3ccc(OC(F)F)cc3)c2c1

BDBM484666

CN1CCC(CC1)n1cc(cn1)-c1cc2c(n[nH]c2cc1F)C(=O)Nc1ccc(OC(F)F)cc1

BDBM484667

FCCN1CCC(CC1)n1cc(cn1)-c1ccc2[nH]nc(C(=O)Nc3ccc(OC(F)F)cc3)c2c1

BDBM484668

CC(C)(F)N1CCC(CC1)n1cc(cn1)-c1ccc2[nH]nc(C(=O)Nc3ccc(OC(F)F)cc3)c2c1

BDBM484669

FC(F)Oc1ccc(NC(=O)c2n[nH]c3ccc(cc23)-c2cnn(c2)C2CCOCC2)cc1

BDBM484670

FC(F)Oc1ccc(NC(=O)c2n[nH]c3ccc(cc23)-c2cnn(CC3CCNCC3)c2)cc1

BDBM484671

FC(F)Oc1ccc(NC(=O)c2n[nH]c3ccc(cc23)-c2cnc3CNCCn23)cc1

BDBM484672

CN1CCC(CC1)c1ccc(NC(=O)c2n[nH]c3cc(F)c(cc23)-c2cnn(C)c2)cc1

BDBM484673

CN1CCN(CC1)c1ccc(NC(=O)c2n[nH]c3cc(F)c(cc23)-c2cnn(C)c2)cc1

BDBM484674

Cn1cc(cn1)-c1cc2c(n[nH]c2cc1F)C(=O)Nc1ccc(CN2CC(F)C2)cc1

BDBM484675

Cn1cc(cn1)-c1ccc2[nH]nc(C(=O)Nc3ccc(CN4CCCC4)cc3)c2c1

BDBM484676

Cn1cc(cn1)-c1cc2c(n[nH]c2cc1F)C(=O)Nc1ccc(CN2CCCC2)cc1

BDBM484677

CCn1cc(cn1)-c1ccc2[nH]nc(C(=O)Nc3ccc(CN4CCCC4)cc3)c2c1

BDBM484678

CC(C)n1cc(cn1)-c1ccc2[nH]nc(C(=O)Nc3ccc(CN4CCCC4)cc3)c2c1

BDBM484679

O=C(Nc1ccc(CN2CCCC2)cc1)c1n[nH]c2ccc(cc12)-c1cnn(c1)C1CC1

BDBM484680

Cn1cc(cn1)-c1ccc2[nH]nc(C(=O)Nc3ccc(CN4CCCC4)cc3F)c2c1

BDBM484681

Cn1cc(cn1)-c1ccc2[nH]nc(C(=O)Nc3ccc(CN4CCCC4)cc3O)c2c1

BDBM484682

Cn1cc(cn1)-c1cc2c(n[nH]c2cc1F)C(=O)Nc1ccc(CN2CCC(F)CC2)cc1

BDBM484683

Cn1cc(cn1)-c1cc2c(n[nH]c2cc1F)C(=O)Nc1ccc(CN2CCC(F)(F)CC2)cc1

BDBM484684

Cn1cc(cn1)-c1cc2c(n[nH]c2cc1F)C(=O)Nc1ccc(CN2CCOCC2)cc1

BDBM484685

CN1CCN(Cc2ccc(NC(=O)c3n[nH]c4cc(F)c(cc34)-c3cnn(C)c3)cc2)CC1

BDBM484686

CN1CCC(CC1)Oc1ccc(NC(=O)c2n[nH]c3cc(F)c(cc23)-c2cnn(C)c2)cc1

BDBM484687

CN1CCC(CC1)Oc1ccc(NC(=O)c2n[nH]c3cc(F)c(cc23)-c2cnn(c2)C(F)F)cc1

BDBM484688

CN1CCC(CC1)Oc1ccc(NC(=O)c2n[nH]c3cc(F)c(cc23)-c2cnn(C)c2C)cc1

BDBM484689

CN1CCC(CC1)Oc1ccc(NC(=O)c2n[nH]c3ccc(cc23)-c2cnc(C)s2)cc1

BDBM484690

CN1CCC(CC1)Nc1ccc(NC(=O)c2n[nH]c3cc(F)c(cc23)-c2cnn(C)c2)cc1

BDBM484691

Cn1cc(cn1)-c1cc2c(n[nH]c2cc1F)C(=O)Nc1ccc2CNCc2c1

BDBM484692

CN1Cc2ccc(NC(=O)c3n[nH]c4cc(F)c(cc34)-c3cnn(C)c3)cc2C1

BDBM484693

FC(F)Oc1ccc(NC(=O)c2n[nH]c3ccc(cc23)-c2cnn(c2)C2CNC2)cn1

BDBM484694

FC(F)Oc1ccc(NC(=O)c2n[nH]c3ccc(cc23)-c2cnn(c2)C2CCNCC2)cn1

BDBM484695

CN1CCC(CC1)n1cc(cn1)-c1ccc2[nH]nc(C(=O)Nc3ccc(OC(F)F)nc3)c2c1

BDBM484696

FC(F)Oc1ccc(NC(=O)c2n[nH]c3ccc(cc23)-c2cnn(CCN3CCCC3)c2)cn1

BDBM484697

FC(F)Oc1ccc(NC(=O)c2n[nH]c3ccc(cc23)-c2cnn(CCN3CCOCC3)c2)cn1

BDBM484698

O=C(Nc1ccc(nc1)N1CCCC1)c1n[nH]c2ccc(cc12)-c1cnn(c1)C1CC1

BDBM484699

Fc1cc2[nH]nc(C(=O)Nc3ccc(nc3)N3CCCC3)c2cc1-c1cnn(c1)C1CC1

BDBM484700

O=C(Nc1ccc(nc1)N1CCCC1)c1n[nH]c2ccc(cc12)-c1cnn(c1)C1CCNCC1

BDBM484701

Fc1cc2[nH]nc(C(=O)Nc3ccc(nc3)N3CCCC3)c2cc1-c1cnn(c1)C1CCNCC1

BDBM484702

CN1CCN(CC1)c1ccc(NC(=O)c2n[nH]c3cc(F)c(cc23)-c2cnn(C)c2)cn1

BDBM484703

CN1CCC(CC1)Oc1ccc(NC(=O)c2n[nH]c3cc(F)c(cc23)-c2cnn(C)c2)cn1

BDBM484704

Cc1ncc(NC(=O)c2n[nH]c3ccc(cc23)-c2cnn(c2)C2CCNCC2)s1

BDBM484705

CN1CCC(CC1)n1cc(cn1)-c1ccc2[nH]nc(C(=O)Nc3cnc(C)s3)c2c1

BDBM484706

CC(C)CN1CC[C@H](NC(=O)c2n[nH]c3ccc(cc23)-c2cnn(c2)C2CC2)[C@@H](F)C1 |r|

BDBM484707

CC(C)CN1CC[C@H](NC(=O)c2n[nH]c3ccc(cc23)-c2cnc(C)n2C)[C@@H](F)C1 |r|

BDBM484708

Cn1cc(cn1)-c1cc(F)c2[nH]nc(C(=O)NC3CCN(CC(F)F)CC3)c2c1

BDBM484709

Cn1cc(cn1)-c1ccc2[nH]nc(C(=O)NCC(F)(F)CN3CCCC3)c2c1

BDBM484711

Cn1cc(cn1)-c1cc(F)c2[nH]nc(C(=O)Nc3ccc(CN4CCCC4)cc3)c2c1

BDBM484712

CN1CCC(CC1)Oc1ccc(NC(=O)c2n[nH]c3ccc(cc23)-c2cnn(C)c2)cc1

BDBM484713

CN1CCC(CC1)Oc1ccc(NC(=O)c2n[nH]c3ccc(cc23)-c2cnn(C)c2)cn1

BDBM484714

CN1CCC(CC1)n1cc(cn1)-c1ccc2[nH]nc(C(=O)Nc3cncc(F)c3)c2c1

BDBM484715

CN1CCC(CC1)n1cc(cn1)-c1cc2c(n[nH]c2cc1F)C(=O)Nc1cncc(F)c1

BDBM484716

CN1CCC(CC1)n1cc(cn1)-c1cc2c(n[nH]c2cc1F)C(=O)Nc1cnc(C)s1

BDBM484717

CNC(=O)c1ccc(NC(=O)c2n[nH]c3ccc(cc23)-c2cnn(c2)C2CCN(C)CC2)cn1

BDBM484718

CN1CCC(CC1)Oc1ccc(NC(=O)c2n[nH]c3c(F)cc(cc23)-c2cnn(C)c2)cn1

BDBM484719

C[C@H](NC(=O)c1n[nH]c2ccc(cc12)-c1cnc(C)n1C)C(F)(F)F |r|

BDBM484720

CC[C@H](NC(=O)c1n[nH]c2ccc(cc12)-c1cnc(C)n1C)C(F)(F)F |r|

BDBM484721

CC(C)[C@H](NC(=O)c1n[nH]c2ccc(cc12)-c1cnc(C)n1C)C(F)(F)F |r|

BDBM484722

C[C@H](NC(=O)c1n[nH]c2c(F)cc(cc12)-c1cnc(C)n1C)C(F)(F)F |r|

BDBM484723

C[C@H](NC(=O)c1n[nH]c2c(F)cc(cc12)-c1cnn(C)c1)C(F)(F)F |r|

BDBM484724

Cn1cc(cn1)-c1ccc2[nH]nc(C(=O)NC34CC5CC(CC(C5)C3)C4)c2c1 |TLB:23:22:25:19.18.17,23:18:25:22.24.21,THB:24:22:19:25.16.17,24:16:19:22.23.21|

BDBM484725

CN1CCC(CC1)n1cc(cn1)-c1cc2c(n[nH]c2cc1F)C(=O)Nc1nc(C)co1

BDBM484726

Cc1cnc(NC(=O)c2n[nH]c3ccc(cc23)-c2cnc(C)n2C)s1

BDBM484727

Cn1cc(cn1)-c1ccc2[nH]nc(C(=O)Nc3cnn(c3)C3CCNCC3)c2c1

BDBM484728

CN1CCC(CC1)n1cc(NC(=O)c2n[nH]c3ccc(cc23)-c2cnn(C)c2)cn1

BDBM484729

CN1CCC(CC1)n1cc(cn1)-c1ccc2[nH]nc(C(=O)Nc3cnn(C)c3)c2c1

BDBM484730

CN1CCC(CC1)n1cc(cn1)-c1ccc2[nH]nc(C(=O)Nc3cc(C)ns3)c2c1

BDBM484731

CN1CCC(CC1)n1cc(cn1)-c1ccc2[nH]nc(C(=O)Nc3ncc(C)s3)c2c1

BDBM484732

CC(C)CN1CC[C@H](NC(=O)c2n[nH]c3ccc(cc23)-c2cn[nH]c2)[C@@H](F)C1 |r|

BDBM484733

CN1C2CCC1CC(C2)NC(=O)c1n[nH]c2ccc(cc12)-c1cnn(C)c1 |THB:9:7:3.4:1|

BDBM484734

CN1CCC(CNC(=O)c2n[nH]c3ccc(cc23)-c2cnn(C)c2)CC1

BDBM484735

Cc1ncc(-c2ccc3[nH]nc(C(=O)NC4CCN(CC4)c4ccc(F)cc4)c3c2)n1C

BDBM484736

CN1CCN(CC1)c1cccc(NC(=O)c2n[nH]c3cc(F)c(cc23)-c2cnn(C)c2)c1

BDBM484737

Cn1cc(cn1)-c1cc2c(n[nH]c2cc1F)C(=O)Nc1cccc(OC2CCNCC2)c1

BDBM484738

CN1CCC(CC1)Oc1cccc(NC(=O)c2n[nH]c3cc(F)c(cc23)-c2cnn(C)c2)c1

BDBM484739

CN1CCC(CC1)Oc1ccc(NC(=O)c2n[nH]c3c(F)cc(cc23)-c2cnn(C)c2)cc1

BDBM484740

CN1CCC(CC1)Oc1ccc(NC(=O)c2n[nH]c3cc(F)c(cc23)-c2cn(C)nc2CO)cc1

BDBM484741

Cn1cc(cn1)-c1cc2c(n[nH]c2cc1F)C(=O)Nc1cccc(OCCN2CCCC2)c1

BDBM484742

Cn1cc(cn1)-c1cc2c(n[nH]c2cc1F)C(=O)Nc1ccc(OCCN2CCCC2)cc1

BDBM484743

CN1CCC(CC1)Oc1cc(NC(=O)c2n[nH]c3cc(F)c(cc23)-c2cnn(C)c2)ccn1

BDBM484744

CN1CCC(CC1)Oc1ncc(NC(=O)c2n[nH]c3cc(F)c(cc23)-c2cnn(C)c2)cc1F

BDBM484745

CC(C)n1cc(cn1)-c1cc2c(n[nH]c2cc1F)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1

BDBM484746

CN1CCC(CC1)n1cc(cn1)-c1ccc2[nH]nc(C(=O)Nc3ccc(F)cc3)c2c1

BDBM484747

CN1CCC(CC1)Oc1ccc(NC(=O)c2n[nH]c3cc(F)c(cc23)-c2ccn(C)n2)cc1

BDBM484748

CN1CCC(CC1)Oc1ccc(NC(=O)c2n[nH]c3ccc(cc23)-c2cnc(C)n2C)cc1

BDBM484749

CN1CCC(CC1)Oc1ccc(NC(=O)c2n[nH]c3ccc(cc23)-c2csc(C)n2)cc1

BDBM484750

CN1CCC(CC1)Oc1ccc(NC(=O)c2n[nH]c3cc(F)c(cc23)-c2cnc(C)s2)cc1

BDBM484751

CN1CCC(CC1)Oc1ccc(NC(=O)c2n[nH]c3ccc(cc23)-c2cc(C)ns2)cc1

BDBM498172

CCCNC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2ccnc(OC)c2)[nH]n1 |r|

BDBM498173

CC(C)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2cnc(C)s2)[nH]n1 |r|

BDBM498174

CCNC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2ccc3n(C)ncc3c2)n[nH]1 |r|

BDBM498175

CC[C@H](C)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)c2cnnn2C)n[nH]1 |r|

BDBM498176

Cc1cnc(CC(=O)Nc2cc([nH]n2)[C@H]2CC[C@H](C2)OC(=O)NC2(C)CC2)o1 |r|

BDBM498177

COc1cnc(CC(=O)Nc2cc(nn2C(C)(C)C)[C@H]2CC[C@H](C2)OC(=O)NC2(C)CC2)cn1 |r|

BDBM498180

COCc1cc(C(=O)Nc2cc(nn2C(C)(C)C)[C@H]2CC[C@H](C2)OC(=O)NC2(C)CC2)n(C)n1 |r|

BDBM498181

COCc1cc(C(=O)Nc2cc(nn2C(C)(C)C)[C@H]2CC[C@H](C2)OC(=O)N[C@@H](C)CC(F)(F)F)n(C)n1 |r|

BDBM498182

COCc1cc(C(=O)Nc2cc(nn2C(C)(C)C)[C@H]2CC[C@H](C2)OC(=O)N[C@H](C)CC(F)(F)F)n(C)n1 |r|

BDBM498183

Cc1cnc(CC(=O)Nc2cc([nH]n2)[C@H]2CC[C@H](C2)OC(=O)NC(C)(C)C)o1 |r|

BDBM498184

Cc1cc(CC(=O)Nc2cc([nH]n2)[C@H]2CC[C@H](C2)OC(=O)N2CCC2(C)C)on1 |r|

BDBM498185

COCc1cc(C(=O)Nc2cc([nH]n2)[C@H]2CC[C@H](C2)OC(=O)NC(C)C)n(C)n1 |r|

BDBM498186

CCC(C)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)c2cc(COC)nn2C)n[nH]1 |r|

BDBM498187

Cc1cc(CC(=O)Nc2cc([nH]n2)[C@H]2CC[C@H](C2)OC(=O)NC2(C)CC2)on1 |r|

BDBM498188

CC(C)(C)n1nc(cc1NC(=O)OCc1ccccc1)[C@H]1CC[C@H](C1)OC(=O)ON1C(=O)CCC1=O |r|

BDBM498189

CC(C)(C)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2ccon2)n[nH]1 |r|

BDBM498192

CCCNC(=O)O[C@H]1CC[C@H](C1)c1cc(NC(=O)Cc2ccnc(OC)c2)n[nH]1 |r|

BDBM498194

CCCNC(=O)O[C@H]1CC[C@H](C1)c1cc(NC(=O)Cc2cncs2)n[nH]1 |r|

BDBM498195

CCCNC(=O)O[C@H]1CC[C@H](C1)c1cc(NC(=O)Cc2ccc(OC)nc2)n[nH]1 |r|

BDBM498197

CCCNC(=O)O[C@H]1CC[C@H](C1)c1cc(NC(=O)Cc2cnc(C)s2)n[nH]1 |r|

BDBM498198

CCCNC(=O)O[C@H]1CC[C@H](C1)c1cc(NC(=O)Cc2ccc3[nH]c(C)nc3c2)n[nH]1 |r|

BDBM498199

CCCNC(=O)O[C@H]1CC[C@H](C1)c1cc(NC(=O)C2COc3ccccc23)n[nH]1 |r|

BDBM498201

CC(C)NC(=O)O[C@H]1CC[C@H](C1)c1cc(NC(=O)Cc2cnc(C)s2)n[nH]1 |r|

BDBM498202

O[C@H]1CC[C@H](CC1)NC(=O)O[C@H]1CC[C@H](C1)c1cc(NC(=O)Cc2cc(F)cc(F)c2)n[nH]1 |r,wD:14.17,11.11,4.7,1.0,(-11.87,-.61,;-10.54,.16,;-9.2,-.61,;-7.87,.16,;-7.87,1.7,;-9.2,2.47,;-10.54,1.7,;-6.54,2.47,;-5.2,1.7,;-3.87,2.47,;-5.2,.16,;-3.87,-.61,;-3.71,-2.15,;-2.2,-2.47,;-1.43,-1.13,;-2.46,.01,;.1,-.97,;1.13,-2.12,;2.54,-1.49,;3.87,-2.26,;5.2,-1.49,;5.2,.05,;6.54,-2.26,;7.87,-1.49,;7.87,.05,;9.2,.82,;9.2,2.36,;10.54,.05,;10.54,-1.49,;11.87,-2.26,;9.2,-2.26,;2.38,.04,;.87,.36,)|

BDBM498203

O[C@H]1CC[C@@H](CC1)NC(=O)O[C@H]1CC[C@H](C1)c1cc(NC(=O)Cc2cc(F)cc(F)c2)n[nH]1 |r,wU:1.0,wD:14.17,11.11,4.7,(-11.87,-.61,;-10.54,.16,;-10.54,1.7,;-9.2,2.47,;-7.87,1.7,;-7.87,.16,;-9.2,-.61,;-6.54,2.47,;-5.2,1.7,;-3.87,2.47,;-5.2,.16,;-3.87,-.61,;-3.71,-2.15,;-2.2,-2.47,;-1.43,-1.13,;-2.46,.01,;.1,-.97,;1.13,-2.12,;2.54,-1.49,;3.87,-2.26,;5.2,-1.49,;5.2,.05,;6.54,-2.26,;7.87,-1.49,;7.87,.05,;9.2,.82,;9.2,2.36,;10.54,.05,;10.54,-1.49,;11.87,-2.26,;9.2,-2.26,;2.38,.04,;.87,.36,)|

BDBM498204

CC[C@@H](C)NC(=O)O[C@H]1CC[C@H](C1)c1cc(NC(=O)Cc2ccno2)n[nH]1 |r|

BDBM498205

CC[C@H](C)NC(=O)O[C@H]1CC[C@H](C1)c1cc(NC(=O)Cc2ccno2)n[nH]1 |r|

BDBM498206

CC[C@H](C)NC(=O)O[C@H]1CC[C@H](C1)c1cc(NC(=O)c2cnnn2C)n[nH]1 |r|

BDBM498207

CC[C@H](C)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2cc(C)no2)n[nH]1 |r|

BDBM498208

CC[C@H](C)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2cnc(C)s2)n[nH]1 |r|

BDBM498209

CC[C@H](C)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2cnc(C)cn2)n[nH]1 |r|

BDBM498210

CC[C@H](C)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2ccc(C)nc2)n[nH]1 |r|

BDBM498211

CC[C@H](C)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2cncs2)n[nH]1 |r|

BDBM498212

CC[C@H](C)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2ccnc(OC)c2)n[nH]1 |r|

BDBM498213

CC[C@H](C)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2ccccc2)n[nH]1 |r|

BDBM498214

CC[C@H](C)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2cnc3ncnn3c2)n[nH]1 |r|

BDBM498215

CC[C@H](C)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2ccccc2S(=O)(=O)CC)n[nH]1 |r|

BDBM498216

CC[C@H](C)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)c2cc(OC)nn2C)n[nH]1 |r|

BDBM498217

CC[C@H](C)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)c2ccnn2C)n[nH]1 |r|

BDBM498218

CC[C@H](C)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)c2ccnc3ncsc23)n[nH]1 |r|

BDBM498219

CC[C@H](C)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2ccc(OC)cc2S(C)(=O)=O)n[nH]1 |r|

BDBM498220

CC[C@H](C)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2ccc(C)cc2S(C)(=O)=O)n[nH]1 |r|

BDBM498221

CC[C@H](C)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2ccc3ncc(C)n3n2)n[nH]1 |r|

BDBM498222

CC[C@H](C)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2ccc3nc(C)cn3n2)n[nH]1 |r|

BDBM498223

CC[C@H](C)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2ccc3n(C)ncc3c2)n[nH]1 |r|

BDBM498225

CC[C@H](C)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2cc(OC)ccc2S(C)(=O)=O)n[nH]1 |r|

BDBM498226

CC[C@H](C)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)c2ccnn2CCOC)n[nH]1 |r|

BDBM498227

CC[C@H](C)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2cc(O)ncc2S(C)(=O)=O)n[nH]1 |r|

BDBM498228

CC[C@H](C)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)c2ccnn2CCO)n[nH]1 |r|

BDBM498229

CCCNC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2ccc3n(C)ncc3c2)n[nH]1 |r|

BDBM498230

CC(C)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2ccc3n(C)ncc3c2)n[nH]1 |r|

BDBM498231

CC(C)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)C2COc3ccccc23)n[nH]1 |r|

BDBM498233

COc1cc(CC(=O)Nc2cc([nH]n2)[C@H]2CC[C@H](C2)OC(=O)N(C)C(C)C)ccn1 |r|

BDBM498234

COc1ccc(CC(=O)Nc2cc([nH]n2)[C@H]2CC[C@H](C2)OC(=O)N(C)C(C)C)cn1 |r|

BDBM498235

CC(C)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2cnn(C)c2)n[nH]1 |r|

BDBM498236

CCC(C)(C)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2cnn(C)c2)n[nH]1 |r|

BDBM498237

CCC(C)(C)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2ncc(C)o2)n[nH]1 |r|

BDBM498238

CC(CC(F)(F)F)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2ccon2)n[nH]1 |r|

BDBM498240

CC(CC(F)(F)F)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2ccn(C)n2)n[nH]1 |r|

BDBM498242

COc1cnc(CC(=O)Nc2cc([nH]n2)[C@H]2CC[C@H](C2)OC(=O)NC(C)CC(F)(F)F)cn1 |r|

BDBM498244

CC(CC(F)(F)F)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)c2ccc(C)nc2)n[nH]1 |r|

BDBM498246

CC(CC(F)(F)F)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2cc(C)no2)n[nH]1 |r|

BDBM498248

CC(CC(F)(F)F)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2cnc(C)cn2)n[nH]1 |r|

BDBM498250

CC(CC(F)(F)F)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2ccc(C)nc2)n[nH]1 |r|

BDBM498252

COc1cc(CC(=O)Nc2cc([nH]n2)[C@H]2CC[C@H](C2)OC(=O)NC(C)CC(F)(F)F)ccn1 |r|

BDBM498254

CC(CC(F)(F)F)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2cnc(C)s2)n[nH]1 |r|

BDBM498256

CC(CC(F)(F)F)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2ncc(C)o2)n[nH]1 |r|

BDBM498258

CC(CC(F)(F)F)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2cnco2)n[nH]1 |r|

BDBM498260

CC(CC(F)(F)F)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2ccno2)n[nH]1 |r|

BDBM498264

CC(CC(F)(F)F)N(C)C(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2ccno2)n[nH]1 |r|

BDBM498266

C[C@@H](CC(F)(F)F)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)c2cnnn2C)n[nH]1 |r|

BDBM498267

C[C@@H](CC(F)(F)F)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2cnn(C)c2)n[nH]1 |r|

BDBM498268

C[C@@H](CC(F)(F)F)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2nc(C)co2)n[nH]1 |r|

BDBM498270

Cc1cnc(CC(=O)Nc2cc([nH]n2)[C@H]2CC[C@H](C2)OC(=O)NC(C)(C)CC(F)(F)F)o1 |r|

BDBM498271

CC(CC(F)F)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2ncc(C)o2)n[nH]1 |r|

BDBM498273

COc1cc(CC(=O)Nc2cc([nH]n2)[C@H]2CC[C@H](C2)OC(=O)NC(C)CC(F)F)ccn1 |r|

BDBM498275

COc1cc(CC(=O)Nc2cc([nH]n2)[C@H]2CC[C@H](C2)OC(=O)N[C@@H](C)CF)ccn1 |r|

BDBM498276

COc1cc(CC(=O)Nc2cc([nH]n2)[C@H]2CC[C@H](C2)OC(=O)N[C@@H](C)[C@@H](C)F)ccn1 |r|

BDBM498277

COc1cc(CC(=O)Nc2cc([nH]n2)[C@H]2CC[C@H](C2)OC(=O)NCCC(F)(F)F)ccn1 |r|

BDBM498278

COCc1cc(C(=O)Nc2cc([nH]n2)[C@H]2CC[C@H](C2)OC(=O)NCCC(F)(F)F)n(C)n1 |r|

BDBM498279

COCc1cc(C(=O)Nc2cc([nH]n2)[C@H]2CC[C@H](C2)OC(=O)N[C@@H](C)C2CC2)n(C)n1 |r|

BDBM498280

COCc1cc(C(=O)Nc2cc([nH]n2)[C@H]2CC[C@H](C2)OC(=O)N[C@H](C)C2CC2)n(C)n1 |r|

BDBM498282

Cc1cc(CC(=O)Nc2cc([nH]n2)[C@H]2CC[C@H](C2)OC(=O)NC(C)(C)C)on1 |r|

BDBM498283

CC(C)(C)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2ccno2)n[nH]1 |r|

BDBM498284

COc1cnc(CC(=O)Nc2cc([nH]n2)[C@H]2CC[C@H](C2)OC(=O)NC(C)(C)C)cn1 |r|

BDBM498286

COCc1cc(C(=O)Nc2cc([nH]n2)[C@H]2CC[C@H](C2)OC(=O)NC(C)(C)C)n(C)n1 |r|

BDBM498287

Cn1cc(CC(=O)Nc2cc([nH]n2)[C@H]2CC[C@H](C2)OC(=O)NC(C)(C)C)cn1 |r|

BDBM498288

Cc1ncc(CC(=O)Nc2cc([nH]n2)[C@H]2CC[C@H](C2)OC(=O)NC(C)(C)C)s1 |r|

BDBM498289

COc1ccc(CC(=O)Nc2cc([nH]n2)[C@H]2CC[C@H](C2)OC(=O)NC(C)(C)C)cn1 |r|

BDBM498291

Cc1ncc(CC(=O)Nc2cc([nH]n2)[C@H]2CC[C@H](C2)OC(=O)NC2(C)CCCC2)s1 |r|

BDBM498292

CC1(CCCC1)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2ccno2)n[nH]1 |r|

BDBM498293

Cc1cnc(CC(=O)Nc2cc([nH]n2)[C@H]2CC[C@H](C2)OC(=O)NC2(C)CCC2)o1 |r|

BDBM498294

Cn1cc(CC(=O)Nc2cc([nH]n2)[C@H]2CC[C@H](C2)OC(=O)NC2(C)CCC2)cn1 |r|

BDBM498295

CC1(CCOC1)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2cc(F)cc(F)c2)n[nH]1 |r|

BDBM498297

COc1ccc(CC(=O)Nc2cc([nH]n2)[C@H]2CC[C@H](C2)OC(=O)NC2(C)CCOC2)cn1 |r|

BDBM498299

CC1(CCOC1)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2ccccc2)n[nH]1 |r|

BDBM498301

COc1ncc(CC(=O)Nc2cc([nH]n2)[C@H]2CC[C@H](C2)OC(=O)NC2(C)CCOC2)s1 |r|

BDBM498303

CC1(CC1)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2ccno2)n[nH]1 |r|

BDBM498304

CC1(CC1)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2cc(Cl)ccn2)n[nH]1 |r|

BDBM498308

Cc1cc(CC(=O)Nc2cc([nH]n2)[C@H]2CC[C@H](C2)OC(=O)N2CCCCC2(C)C)on1 |r|

BDBM498309

Cc1cc(CC(=O)Nc2cc([nH]n2)[C@H]2CC[C@H](C2)OC(=O)N2CCCC2(C)C)on1 |r|

BDBM498310

CC1(C)CCCN1C(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2ccon2)n[nH]1 |r|

BDBM498311

Cn1ccc(CC(=O)Nc2cc([nH]n2)[C@H]2CC[C@H](C2)OC(=O)N2CCCC2(C)C)n1 |r|

BDBM498312

CC1(C)CCCN1C(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2cnc3ncnn3c2)n[nH]1 |r|

BDBM498313

CC1(C)CCCN1C(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2cnco2)n[nH]1 |r|

BDBM498314

C[C@H]1CCCN1C(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2cnc(C)s2)n[nH]1 |r|

BDBM498315

C[C@H]1CCCN1C(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2ccn(C)n2)n[nH]1 |r|

BDBM498316

C[C@H]1CCCN1C(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2cnc3ncnn3c2)n[nH]1 |r|

BDBM498317

CC1(C)CCN1C(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2ccccc2S(C)(=O)=O)n[nH]1 |r|

BDBM498318

CC1(C)CCN1C(=O)O[C@H]1CC[C@H](C1)c1cc(NC(=O)Cc2ccccc2S(C)(=O)=O)n[nH]1 |r|

BDBM498319

COc1ccc(CC(=O)Nc2cc([nH]n2)[C@H]2CC[C@H](C2)OC(=O)N2CCC2(C)C)cn1 |r|

BDBM498320

COc1ccc(CC(=O)Nc2cc([nH]n2)[C@@H]2CC[C@@H](C2)OC(=O)N2CCC2(C)C)cn1 |r|

BDBM498321

COc1cc(CC(=O)Nc2cc([nH]n2)[C@H]2CC[C@H](C2)OC(=O)N2CCC2(C)C)ccn1 |r|

BDBM498322

Cc1cnc(CC(=O)Nc2cc([nH]n2)[C@H]2CC[C@H](C2)OC(=O)N2CCC2(C)C)o1 |r|

BDBM498323

Cn1cc(CC(=O)Nc2cc([nH]n2)[C@H]2CC[C@H](C2)OC(=O)N2CCC2(C)C)cn1 |r|

BDBM498324

COc1cc(CC(=O)Nc2cc([nH]n2)[C@H]2CC[C@H](C2)OC(=O)N2[C@@H](C)C[C@@H]2C)ccn1 |r|

BDBM498325

C[C@H]1C[C@H](C)N1C(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2cc(C)no2)n[nH]1 |r|

BDBM498326

COc1ccc(CC(=O)Nc2cc([nH]n2)[C@H]2CC[C@H](C2)OC(=O)N2CCC2C)cn1 |r|

BDBM498328

COc1cc(CC(=O)Nc2cc([nH]n2)[C@H]2CC[C@H](C2)OC(=O)N2CCC2C)ccn1 |r|

BDBM498330

COc1cc(CC(=O)Nc2cc([nH]n2)[C@H]2CC[C@H](C2)OC(=O)N2C[C@@H](C#N)[C@@H]2C)ccn1 |r|

BDBM498332

COc1ccc(CC(=O)Nc2cc([nH]n2)[C@H]2CC[C@H](C2)OC(=O)N2C[C@@H](C#N)[C@@H]2C)cn1 |r|

BDBM498334

C[C@H]1[C@@H](CN1C(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2cnc(C)s2)n[nH]1)C#N |r|

BDBM498336

C[C@H]1[C@@H](CN1C(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2ccccc2)n[nH]1)C#N |r|

BDBM498338

CCCNC(=O)O[C@H]1CC[C@H](C1)c1cc(NC(=O)c2ccnn2C)n[nH]1 |r|

BDBM498339

CCCNC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)c2ccnn2C)n[nH]1 |r|

BDBM498341

CCCNC(=O)O[C@H]1CC[C@H](C1)c1cc(NC(=O)Cc2cnco2)n[nH]1 |r|

BDBM498342

CCCNC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2cnco2)n[nH]1 |r|

BDBM498343

CCCNC(=O)O[C@H]1CC[C@H](C1)c1cc(NC(=O)Cc2ccno2)n[nH]1 |r|

BDBM498344

CCCNC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2ccno2)n[nH]1 |r|

BDBM498345

CCCNC(=O)O[C@H]1CC[C@H](C1)c1cc(NC(=O)c2ccnc(C)c2)n[nH]1 |r|

BDBM498346

CCCNC(=O)O[C@H]1CC[C@H](C1)c1cc(NC(=O)Cc2ccccn2)n[nH]1 |r|

BDBM498347

CCCNC(=O)O[C@H]1CC[C@H](C1)c1cc(NC(=O)c2cc(C)nn2C)n[nH]1 |r|

BDBM498348

CCCNC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)c2cc(C)nn2C)n[nH]1 |r|

BDBM498349

CCCNC(=O)O[C@H]1CC[C@H](C1)c1cc(NC(=O)c2cn(C)nc2C)n[nH]1 |r|

BDBM498350

CCCNC(=O)O[C@H]1CC[C@H](C1)c1cc(NC(=O)Cc2cnc(C)o2)n[nH]1 |r|

BDBM498351

CCCNC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2cnc(C)o2)n[nH]1 |r|

BDBM498352

CCCNC(=O)O[C@H]1CC[C@H](C1)c1cc(NC(=O)Cc2cc(C)no2)n[nH]1 |r|

BDBM498353

CCCNC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2cc(C)no2)n[nH]1 |r|

BDBM498354

CCCNC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2cncs2)n[nH]1 |r|

BDBM498355

CCCNC(=O)O[C@H]1CC[C@H](C1)c1cc(NC(=O)c2ccc(C)nc2C)n[nH]1 |r|

BDBM498356

CCCNC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)c2ccc(C)nc2C)n[nH]1 |r|

BDBM498357

CCCNC(=O)O[C@H]1CC[C@H](C1)c1cc(NC(=O)c2ccc(OC)nc2)n[nH]1 |r|

BDBM498358

CCCNC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)c2ccc(OC)nc2)n[nH]1 |r|

BDBM498359

CCCNC(=O)O[C@H]1CC[C@H](C1)c1cc(NC(=O)c2ccnc(OC)c2)n[nH]1 |r|

BDBM498360

CCCNC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2cnc(C)s2)n[nH]1 |r|

BDBM498361

CCCNC(=O)O[C@H]1CC[C@H](C1)c1cc(NC(=O)Cc2ccc(OC)cn2)n[nH]1 |r|

BDBM498363

CCCNC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2ccc(OC)nc2)n[nH]1 |r|

BDBM498364

CCCNC(=O)O[C@H]1CC[C@H](C1)c1cc(NC(=O)Cc2cnc(OC)s2)n[nH]1 |r|

BDBM498365

CCCNC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2cnc(OC)s2)n[nH]1 |r|

BDBM498367

CCCNC(=O)O[C@H]1CC[C@H](C1)c1cc(Nc2ccc3[C@H](CCc3n2)N(C)C)n[nH]1 |r|

BDBM498372

CCCNC(=O)O[C@H]1CC[C@H](C1)c1cc(NC(=O)Cc2ccccc2OCCN)n[nH]1 |r|

BDBM498373

CCCNC(=O)O[C@H]1CC[C@H](C1)c1cc(NC(=O)Cc2ccc(OCCN)cc2)n[nH]1 |r|

BDBM498378

CCCNC(=O)O[C@H]1CC[C@H](C1)c1cc(NC(=O)Cc2ccccc2S(C)(=O)=O)n[nH]1 |r|

BDBM498380

CCCNC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2ccccc2S(=O)(=O)CC)n[nH]1 |r|

BDBM498381

CCCNC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2cc(C)ccc2S(C)(=O)=O)n[nH]1 |r|

BDBM498387

CCCNC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2ccc(OC)cc2S(C)(=O)=O)n[nH]1 |r|

BDBM498388

CCCNC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2cc(OC)ccc2S(C)(=O)=O)n[nH]1 |r|

BDBM498389

CCCNC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2cc(OC)ncc2S(C)(=O)=O)n[nH]1 |r|

BDBM498391

Cn1cc(CC(=O)Nc2cc([nH]n2)[C@H]2CC[C@H](C2)OC(=O)NCCC(F)(F)F)cn1 |r|

BDBM498393

Cc1cnc(CC(=O)Nc2cc([nH]n2)[C@H]2CC[C@H](C2)OC(=O)NCCC(F)(F)F)o1 |r|

BDBM498401

CCNC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2ccno2)n[nH]1 |r|

BDBM498402

CCNC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2ccc(C)nc2)n[nH]1 |r|

BDBM498405

CCNC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2ccc(OC)cc2)n[nH]1 |r|

BDBM498406

CCNC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2ccc(OC)nc2)n[nH]1 |r|

BDBM498407

CCNC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2ccnc(OC)c2)n[nH]1 |r|

BDBM498408

CCNC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2cc(F)cc(F)c2)n[nH]1 |r|

BDBM498412

CCN(C)C(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2ccc(C)nc2)n[nH]1 |r|

BDBM498413

CCN(C)C(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2ccc(F)cc2)n[nH]1 |r|

BDBM498414

CCN(C)C(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2cnc(C)s2)n[nH]1 |r|

BDBM498415

CCN(C)C(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2ccc(OC)cc2)n[nH]1 |r|

BDBM498416

CCN(C)C(=O)O[C@H]1CC[C@H](C1)c1cc(NC(=O)Cc2ccnc(OC)c2)n[nH]1 |r|

BDBM498417

CCN(C)C(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2ccnc(OC)c2)n[nH]1 |r|

BDBM498418

CCN(C)C(=O)O[C@H]1CC[C@H](C1)c1cc(NC(=O)Cc2ccc(OC)nc2)n[nH]1 |r|

BDBM498419

CCN(C)C(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2ccc(OC)nc2)n[nH]1 |r|

BDBM498420

CCN(C)C(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2cc(F)cc(F)c2)n[nH]1 |r|

BDBM498422

Cc1ccc(CC(=O)Nc2cc([nH]n2)[C@H]2CC[C@H](C2)OC(=O)NCC(F)F)cn1 |r|

BDBM498425

COc1ccc(CC(=O)Nc2cc([nH]n2)[C@H]2CC[C@H](C2)OC(=O)NCC(F)F)cc1 |r|

BDBM498427

COc1ccc(CC(=O)Nc2cc([nH]n2)[C@H]2CC[C@H](C2)OC(=O)NCC(F)F)cn1 |r|

BDBM498428

FC(F)CNC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2cc(F)cc(F)c2)n[nH]1 |r|

BDBM498433

CCCCNC(=O)O[C@H]1CC[C@H](C1)c1cc(NC(=O)Cc2ccno2)n[nH]1 |r|

BDBM498434

CCCCNC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2ccno2)n[nH]1 |r|

BDBM498436

CC(C)NC(=O)O[C@H]1CC[C@H](C1)c1cc(NC(=O)c2cnnn2C)n[nH]1 |r|

BDBM498437

CC(C)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)c2cnnn2C)n[nH]1 |r|

BDBM498438

CC(C)NC(=O)O[C@H]1CC[C@H](C1)c1cc(NC(=O)Cc2ccno2)n[nH]1 |r|

BDBM498441

CC(C)NC(=O)O[C@H]1CC[C@H](C1)c1cc(NC(=O)Cc2cnn(C)c2)n[nH]1 |r|

BDBM498445

CC(C)NC(=O)O[C@H]1CC[C@H](C1)c1cc(NC(=O)Cc2ncc(C)o2)n[nH]1 |r|

BDBM498447

CC(C)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2nc(C)co2)n[nH]1 |r|

BDBM498450

CC(C)NC(=O)O[C@@H]1CC[C@@H](C1)c2cc(n[nH]2)NC(=O)Cc3ccc(cc3)OC

BDBM498451

COc1cc(CC(=O)Nc2cc([nH]n2)[C@H]2CC[C@H](C2)OC(=O)NC(C)C)ccn1 |r|

BDBM498453

COCCn1nccc1C(=O)Nc1cc([nH]n1)[C@H]1CC[C@H](C1)OC(=O)NC(C)C |r|

BDBM498454

CC(C)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2cc(F)cc(F)c2)n[nH]1 |r|

BDBM498456

COc1ncc(CC(=O)Nc2cc([nH]n2)[C@H]2CC[C@H](C2)OC(=O)NC(C)C)s1 |r|

BDBM498464

CC(C)N(C)C(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2cc(C)no2)n[nH]1 |r|

BDBM498466

COc1ccc(c(CC(=O)Nc2cc([nH]n2)[C@H]2CC[C@H](C2)OC(=O)NC(C)C(F)(F)F)c1)S(C)(=O)=O |r|

BDBM498468

Cn1nncc1C(=O)Nc1cc([nH]n1)[C@H]1CC[C@H](C1)OC(=O)NC(C)(C)C |r|

BDBM498469

CC(C)(C)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2ccccn2)n[nH]1 |r|

BDBM498470

Cc1cc(CC(=O)Nc2cc([nH]n2)[C@H]2CC[C@H](C2)OC(=O)NC(C)(C)C)no1 |r|

BDBM498473

Cc1nnc(CC(=O)Nc2cc([nH]n2)[C@H]2CC[C@H](C2)OC(=O)NC(C)(C)C)o1 |r|

BDBM498474

Cc1cnc(CC(=O)Nc2cc([nH]n2)[C@H]2CC[C@H](C2)OC(=O)NC(C)(C)C)cn1 |r|

BDBM498483

COCCn1nccc1C(=O)Nc1cc([nH]n1)[C@H]1CC[C@H](C1)OC(=O)NC(C)(C)C |r|

BDBM498489

CC(C)(C)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2cc(ccn2)C(F)F)n[nH]1 |r|

BDBM498490

COc1cc(CC(=O)Nc2cc([nH]n2)[C@H]2CC[C@H](C2)OC(=O)NC(C)(C)C)c(OC)cn1 |r|

BDBM498492

CC(C)(C)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2cnc(cn2)C(F)(F)F)n[nH]1 |r|

BDBM498494

COc1ccc(c(CC(=O)Nc2cc([nH]n2)[C@H]2CC[C@H](C2)OC(=O)NC(C)(C)C)c1)S(C)(=O)=O |r|

BDBM498496

CC[C@H](C)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)c2cncn2C)n[nH]1 |r|

BDBM498497

CC[C@@H](C)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2ccno2)n[nH]1 |r|

BDBM498498

CC[C@H](C)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2ccon2)n[nH]1 |r|

BDBM498499

CC[C@H](C)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)c2ccc(C)nc2)n[nH]1 |r|

BDBM498500

CC[C@H](C)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2cnccn2)n[nH]1 |r|

BDBM498501

CC[C@H](C)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2ccnn2C)n[nH]1 |r|

BDBM498502

CC[C@H](C)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2cnn(C)c2)n[nH]1 |r|

BDBM498504

CC[C@H](C)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2cncn2C)n[nH]1 |r|

BDBM498505

CC[C@H](C)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2cnn(C)n2)n[nH]1 |r|

BDBM498507

CC[C@H](C)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2cc(C)on2)n[nH]1 |r|

BDBM498508

CC[C@H](C)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2ncc(C)o2)n[nH]1 |r|

BDBM498510

CC[C@H](C)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2ccnc(C)c2)n[nH]1 |r|

BDBM498511

CC[C@H](C)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2cncc(C)n2)n[nH]1 |r|

BDBM498512

CC[C@H](C)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2cnn(C)c2C)n[nH]1 |r|

BDBM498513

CC[C@H](C)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2cc(C)nn2C)n[nH]1 |r|

BDBM498517

CC[C@H](C)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2scnc2C)n[nH]1 |r|

BDBM498518

CC[C@H](C)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2nc(C)cs2)n[nH]1 |r|

BDBM498521

CC[C@H](C)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2ccc(OC)nc2)n[nH]1 |r|

BDBM498522

CC[C@H](C)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2cnc(OC)cn2)n[nH]1 |r|

BDBM498523

CC[C@H](C)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2cncc(OC)n2)n[nH]1 |r|

BDBM498524

CC[C@H](C)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2cnn(c2)C(C)C)n[nH]1 |r|

BDBM498527

CC[C@H](C)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2sc(C)nc2C)n[nH]1 |r|

BDBM498528

CC[C@H](C)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2ncc(OC)s2)n[nH]1 |r|

BDBM498530

CC[C@H](C)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2cn3ccsc3n2)n[nH]1 |r|

BDBM498531

CC[C@H](C)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)c2ccnn2CCN(C)C)[nH]n1 |r|

BDBM498534

CC[C@H](C)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2cn3nc(C)sc3n2)n[nH]1 |r|

BDBM498536

CC[C@H](C)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2cccc3C(=O)N(C)Cc23)n[nH]1 |r|

BDBM498538

CC[C@H](C)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2cnc(cn2)C(F)(F)F)n[nH]1 |r|

BDBM498539

CC[C@H](C)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2ccc(cc2)C(=O)N(C)C)n[nH]1 |r|

BDBM498542

CC[C@H](C)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2cn3nc(CC)sc3n2)n[nH]1 |r|

BDBM498545

CC[C@H](C)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2ccccc2S(C)(=O)=O)n[nH]1 |r|

BDBM498546

CC[C@H](C)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2cc(C)ccc2S(C)(=O)=O)n[nH]1 |r|

BDBM498547

CC[C@H](C)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2cccc(C)c2S(C)(=O)=O)n[nH]1 |r|

BDBM498548

CC[C@H](C)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2cc(C)ncc2S(C)(=O)=O)n[nH]1 |r|

BDBM498549

CC[C@H](C)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2ccccc2S(=O)(=O)NC)n[nH]1 |r|

BDBM498550

CC[C@H](C)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2cc(OC)ncc2S(C)(=O)=O)n[nH]1 |r|

BDBM498551

CC[C@H](C)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2ccc(COC)cc2S(C)(=O)=O)[nH]n1 |r|

BDBM498556

C[C@H](F)[C@H](C)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2cnn(C)c2)n[nH]1 |r|

BDBM498558

C[C@@H](F)[C@H](C)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2ncc(C)o2)n[nH]1 |r|

BDBM498559

COc1cc(CC(=O)Nc2cc([nH]n2)[C@H]2CC[C@H](C2)OC(=O)N[C@@H](C)[C@H](C)F)ccn1 |r|

BDBM498561

CC(CC(F)F)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2cnn(C)c2)n[nH]1 |r|

BDBM498563

CC(NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2ccc(C)nc2)n[nH]1)C(C)(F)F |r|

BDBM498565

CC(NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2cnc(C)s2)n[nH]1)C(C)(F)F |r|

BDBM498567

COc1cc(CC(=O)Nc2cc([nH]n2)[C@H]2CC[C@H](C2)OC(=O)NC(C)C(C)(F)F)ccn1 |r|

BDBM498569

C[C@H](CC(F)(F)F)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2cnn(C)c2)n[nH]1 |r|

BDBM498571

CCC(NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2cc(C)no2)n[nH]1)C(F)(F)F |r|

BDBM498573

CCC(NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2ccc(C)nc2)n[nH]1)C(F)(F)F |r|

BDBM498575

CC(CC(F)(F)F)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2cnn(C)c2C)n[nH]1 |r|

BDBM498578

CCC(NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2cnc(C)s2)n[nH]1)C(F)(F)F |r|

BDBM498580

CCC(NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2ccnc(OC)c2)n[nH]1)C(F)(F)F |r|

BDBM498582

CC(CC(F)(F)F)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2cnn(c2)C(C)C)n[nH]1 |r|

BDBM498584

CC(CC(F)(F)F)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)c2ccnn2CCN(C)C)[nH]n1 |r|

BDBM498588

CC(CC(F)(F)F)N(C)C(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2cnn(C)c2)n[nH]1 |r|

BDBM498590

CC[C@H](C)CNC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2ccno2)n[nH]1 |r|

BDBM498592

CC[C@H](C)CNC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2cnc(C)s2)n[nH]1 |r|

BDBM498599

Cc1ccc(CC(=O)Nc2cc([nH]n2)[C@H]2CC[C@H](C2)OC(=O)NC2(C)CC2)nc1 |r|

BDBM498601

Cc1cccc(CC(=O)Nc2cc([nH]n2)[C@H]2CC[C@H](C2)OC(=O)NC2(C)CC2)n1 |r|

BDBM498603

Cc1cnc(CC(=O)Nc2cc([nH]n2)[C@H]2CC[C@H](C2)OC(=O)NC2(C)CC2)cn1 |r|

BDBM498608

COc1ccc(CC(=O)Nc2cc([nH]n2)[C@H]2CC[C@H](C2)OC(=O)NC2(C)CC2)nc1 |r|

BDBM498609

COc1cccc(CC(=O)Nc2cc([nH]n2)[C@H]2CC[C@H](C2)OC(=O)NC2(C)CC2)n1 |r|

BDBM498612

CC1(CC1)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2ccc(Cl)cn2)n[nH]1 |r|

BDBM498622

COc1ccc(c(CC(=O)Nc2cc([nH]n2)[C@H]2CC[C@H](C2)OC(=O)NC2(C)CC2)c1)S(C)(=O)=O |r|

BDBM498630

Cc1cnc(CC(=O)Nc2cc([nH]n2)[C@H]2CC[C@H](C2)OC(=O)NC2(CC(F)(F)F)CC2)cn1 |r|

BDBM498635

O=C(Cc1ccno1)Nc1cc([nH]n1)[C@H]1CC[C@H](C1)OC(=O)NC1CCCC1 |r|

BDBM498638

C[C@H]1CCC[C@H]1NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2cnc(C)s2)n[nH]1 |r|

BDBM498648

CC1(CCOC1)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2ccno2)n[nH]1 |r|

BDBM498650

Cc1cnc(CC(=O)Nc2cc([nH]n2)[C@@H]2CC[C@@H](C2)OC(=O)NC2(C)CCOC2)o1 |r|

BDBM498652

Cc1cnc(CC(=O)Nc2cc([nH]n2)[C@H]2CC[C@H](C2)OC(=O)NC2(C)CCOC2)o1 |r|

BDBM498656

Cc1ncc(CC(=O)Nc2cc([nH]n2)[C@H]2CC[C@H](C2)OC(=O)NC2(C)CCOC2)s1 |r|

BDBM498658

COc1ccc(CC(=O)Nc2cc([nH]n2)[C@H]2CC[C@H](C2)OC(=O)NC2(C)CCOC2)cc1 |r|

BDBM498662

COCc1cc(C(=O)Nc2cc([nH]n2)[C@H]2CC[C@H](C2)OC(=O)NC2(C)CCOC2)n(C)n1 |r|

BDBM498668

CC1(CCOC1)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2cnc(cn2)C(F)(F)F)n[nH]1 |r|

BDBM498676

COc1ccc(CC(=O)Nc2cc([nH]n2)[C@@H]2CC[C@@H](C2)OC(=O)NC2CCOCC2)cc1 |r|

BDBM498681

Cn1cc(CC(=O)Nc2cc([nH]n2)[C@H]2CC[C@H](C2)OC(=O)NC2(C)CCOCC2)cn1 |r|

BDBM498684

COc1cnc(CC(=O)Nc2cc([nH]n2)[C@H]2CC[C@H](C2)OC(=O)NC2(C)CCOCC2)s1 |r|

BDBM498685

C[C@@H]1COCC[C@H]1NC(=O)O[C@H]1CC[C@H](C1)c1cc(NC(=O)Cc2cnc(C)s2)n[nH]1 |r|

BDBM498690

Fc1cc(F)cc(CC(=O)Nc2cc([nH]n2)[C@@H]2CC[C@@H](C2)OC(=O)NCC2CCCOC2)c1 |r|

BDBM498699

CCC(CO)CNC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2cc(C)no2)n[nH]1 |r|

BDBM498703

CCC(CO)CNC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2cnc(C)s2)n[nH]1 |r|

BDBM498707

CCC(CO)CNC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2ccc(OC)nc2)n[nH]1 |r|

BDBM498709

CCC(CO)CNC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2ccnc(OC)c2)n[nH]1 |r|

BDBM498711

CCC(CO)CNC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2cc(F)cc(F)c2)n[nH]1 |r|

BDBM498719

Cc1cc(CC(=O)Nc2cc([nH]n2)[C@@H]2CC[C@@H](C2)OC(=O)N[C@@H]2CC[C@H](O)CC2)ccn1 |r,wU:22.23,25.27,wD:16.19,13.13,(12.54,-1.21,;11.21,-.44,;9.87,-1.21,;8.54,-.44,;7.2,-1.21,;5.87,-.44,;5.87,1.1,;4.54,-1.21,;3.2,-.44,;1.8,-1.06,;.77,.08,;1.54,1.41,;3.04,1.09,;-.77,-.08,;-1.54,-1.41,;-3.04,-1.09,;-3.2,.44,;-1.8,1.06,;-4.54,1.21,;-5.87,.44,;-5.87,-1.1,;-7.2,1.21,;-8.54,.44,;-9.87,1.21,;-11.21,.44,;-11.21,-1.1,;-12.54,-1.87,;-9.87,-1.87,;-8.54,-1.1,;8.54,1.1,;9.87,1.87,;11.21,1.1,)|

BDBM498720

Cc1ccc(CC(=O)Nc2cc([nH]n2)[C@@H]2CC[C@@H](C2)OC(=O)N[C@@H]2CC[C@H](O)CC2)cn1 |r,wU:23.24,26.28,wD:17.20,14.14,(12.54,1.87,;11.21,1.1,;11.21,-.44,;9.87,-1.21,;8.54,-.44,;7.2,-1.21,;5.87,-.44,;5.87,1.1,;4.54,-1.21,;3.2,-.44,;1.8,-1.06,;.77,.08,;1.54,1.41,;3.04,1.09,;-.77,-.08,;-1.54,-1.41,;-3.04,-1.09,;-3.2,.44,;-1.8,1.06,;-4.54,1.21,;-5.87,.44,;-5.87,-1.1,;-7.2,1.21,;-8.54,.44,;-9.87,1.21,;-11.21,.44,;-11.21,-1.1,;-12.54,-1.87,;-9.87,-1.87,;-8.54,-1.1,;8.54,1.1,;9.87,1.87,)|

BDBM498721

Cc1ccc(CC(=O)Nc2cc([nH]n2)[C@@H]2CC[C@@H](C2)OC(=O)N[C@@H]2CC[C@H](O)CC2)nc1 |r,wU:23.24,26.28,wD:17.20,14.14,(12.54,1.87,;11.21,1.1,;11.21,-.44,;9.87,-1.21,;8.54,-.44,;7.2,-1.21,;5.87,-.44,;5.87,1.1,;4.54,-1.21,;3.2,-.44,;1.8,-1.06,;.77,.08,;1.54,1.41,;3.04,1.09,;-.77,-.08,;-1.54,-1.41,;-3.04,-1.09,;-3.2,.44,;-1.8,1.06,;-4.54,1.21,;-5.87,.44,;-5.87,-1.1,;-7.2,1.21,;-8.54,.44,;-9.87,1.21,;-11.21,.44,;-11.21,-1.1,;-12.54,-1.87,;-9.87,-1.87,;-8.54,-1.1,;8.54,1.1,;9.87,1.87,)|

BDBM498722

Cc1cc(CC(=O)Nc2cc([nH]n2)[C@@H]2CC[C@@H](C2)OC(=O)N[C@H]2CC[C@H](O)CC2)ccn1 |r,wU:22.23,wD:16.19,13.13,25.27,(12.54,-1.21,;11.21,-.44,;9.87,-1.21,;8.54,-.44,;7.2,-1.21,;5.87,-.44,;5.87,1.1,;4.54,-1.21,;3.2,-.44,;1.8,-1.06,;.77,.08,;1.54,1.41,;3.04,1.09,;-.77,-.08,;-1.54,-1.41,;-3.04,-1.09,;-3.2,.44,;-1.8,1.06,;-4.54,1.21,;-5.87,.44,;-5.87,-1.1,;-7.2,1.21,;-8.54,.44,;-8.54,-1.1,;-9.87,-1.87,;-11.21,-1.1,;-12.54,-1.87,;-11.21,.44,;-9.87,1.21,;8.54,1.1,;9.87,1.87,;11.21,1.1,)|

BDBM498723

Cc1ccc(CC(=O)Nc2cc([nH]n2)[C@@H]2CC[C@@H](C2)OC(=O)N[C@H]2CC[C@H](O)CC2)cn1 |r,wU:23.24,wD:17.20,14.14,26.28,(12.54,1.87,;11.21,1.1,;11.21,-.44,;9.87,-1.21,;8.54,-.44,;7.2,-1.21,;5.87,-.44,;5.87,1.1,;4.54,-1.21,;3.2,-.44,;1.8,-1.06,;.77,.08,;1.54,1.41,;3.04,1.09,;-.77,-.08,;-1.54,-1.41,;-3.04,-1.09,;-3.2,.44,;-1.8,1.06,;-4.54,1.21,;-5.87,.44,;-5.87,-1.1,;-7.2,1.21,;-8.54,.44,;-8.54,-1.1,;-9.87,-1.87,;-11.21,-1.1,;-12.54,-1.87,;-11.21,.44,;-9.87,1.21,;8.54,1.1,;9.87,1.87,)|

BDBM498724

Cc1ccc(CC(=O)Nc2cc([nH]n2)[C@@H]2CC[C@@H](C2)OC(=O)N[C@H]2CC[C@H](O)CC2)nc1 |r,wU:23.24,wD:17.20,14.14,26.28,(12.54,1.87,;11.21,1.1,;11.21,-.44,;9.87,-1.21,;8.54,-.44,;7.2,-1.21,;5.87,-.44,;5.87,1.1,;4.54,-1.21,;3.2,-.44,;1.8,-1.06,;.77,.08,;1.54,1.41,;3.04,1.09,;-.77,-.08,;-1.54,-1.41,;-3.04,-1.09,;-3.2,.44,;-1.8,1.06,;-4.54,1.21,;-5.87,.44,;-5.87,-1.1,;-7.2,1.21,;-8.54,.44,;-8.54,-1.1,;-9.87,-1.87,;-11.21,-1.1,;-12.54,-1.87,;-11.21,.44,;-9.87,1.21,;8.54,1.1,;9.87,1.87,)|

BDBM498725

Cc1ncc(CC(=O)Nc2cc([nH]n2)[C@@H]2CC[C@@H](C2)OC(=O)N[C@@H]2CC[C@H](O)CC2)s1 |r,wU:23.24,26.28,wD:17.20,14.14,(12.52,.15,;10.99,.31,;10.22,1.64,;8.71,1.32,;8.55,-.21,;7.22,-.98,;5.89,-.21,;5.89,1.33,;4.55,-.98,;3.22,-.21,;1.81,-.83,;.78,.31,;1.55,1.64,;3.06,1.32,;-.75,.15,;-1.52,-1.18,;-3.03,-.86,;-3.19,.67,;-1.78,1.29,;-4.52,1.44,;-5.85,.67,;-5.85,-.87,;-7.19,1.44,;-8.52,.67,;-9.86,1.44,;-11.19,.67,;-11.19,-.87,;-12.52,-1.64,;-9.86,-1.64,;-8.52,-.87,;9.96,-.83,)|

BDBM498726

Cc1ncc(CC(=O)Nc2cc([nH]n2)[C@@H]2CC[C@@H](C2)OC(=O)N[C@H]2CC[C@H](O)CC2)s1 |r,wU:23.24,wD:17.20,14.14,26.28,(12.52,.15,;10.99,.31,;10.22,1.64,;8.71,1.32,;8.55,-.21,;7.22,-.98,;5.89,-.21,;5.89,1.33,;4.55,-.98,;3.22,-.21,;1.81,-.83,;.78,.31,;1.55,1.64,;3.06,1.32,;-.75,.15,;-1.52,-1.18,;-3.03,-.86,;-3.19,.67,;-1.78,1.29,;-4.52,1.44,;-5.85,.67,;-5.85,-.87,;-7.19,1.44,;-8.52,.67,;-8.52,-.87,;-9.86,-1.64,;-11.19,-.87,;-12.52,-1.64,;-11.19,.67,;-9.86,1.44,;9.96,-.83,)|

BDBM498727

COc1cc(CC(=O)Nc2cc([nH]n2)[C@@H]2CC[C@@H](C2)OC(=O)N[C@@H]2CC[C@H](O)CC2)ccn1 |r,wU:23.24,26.28,wD:17.20,14.14,(13.21,-.44,;11.87,-1.21,;10.54,-.44,;9.2,-1.21,;7.87,-.44,;6.54,-1.21,;5.2,-.44,;5.2,1.1,;3.87,-1.21,;2.54,-.44,;1.13,-1.06,;.1,.08,;.87,1.41,;2.38,1.09,;-1.43,-.08,;-2.2,-1.41,;-3.71,-1.09,;-3.87,.44,;-2.46,1.06,;-5.2,1.21,;-6.54,.44,;-6.54,-1.1,;-7.87,1.21,;-9.2,.44,;-10.54,1.21,;-11.87,.44,;-11.87,-1.1,;-13.21,-1.87,;-10.54,-1.87,;-9.2,-1.1,;7.87,1.1,;9.2,1.87,;10.54,1.1,)|

BDBM498728

COc1ccc(CC(=O)Nc2cc([nH]n2)[C@@H]2CC[C@@H](C2)OC(=O)N[C@@H]2CC[C@H](O)CC2)cn1 |r,wU:24.25,27.29,wD:18.21,15.15,(13.21,1.1,;11.87,1.87,;10.54,1.1,;10.54,-.44,;9.2,-1.21,;7.87,-.44,;6.54,-1.21,;5.2,-.44,;5.2,1.1,;3.87,-1.21,;2.54,-.44,;1.13,-1.06,;.1,.08,;.87,1.41,;2.38,1.09,;-1.43,-.08,;-2.2,-1.41,;-3.71,-1.09,;-3.87,.44,;-2.46,1.06,;-5.2,1.21,;-6.54,.44,;-6.54,-1.1,;-7.87,1.21,;-9.2,.44,;-10.54,1.21,;-11.87,.44,;-11.87,-1.1,;-13.21,-1.87,;-10.54,-1.87,;-9.2,-1.1,;7.87,1.1,;9.2,1.87,)|

BDBM498729

COc1ccc(CC(=O)Nc2cc([nH]n2)[C@@H]2CC[C@@H](C2)OC(=O)N[C@@H]2CC[C@H](O)CC2)nc1 |r,wU:24.25,27.29,wD:18.21,15.15,(13.21,1.1,;11.87,1.87,;10.54,1.1,;10.54,-.44,;9.2,-1.21,;7.87,-.44,;6.54,-1.21,;5.2,-.44,;5.2,1.1,;3.87,-1.21,;2.54,-.44,;1.13,-1.06,;.1,.08,;.87,1.41,;2.38,1.09,;-1.43,-.08,;-2.2,-1.41,;-3.71,-1.09,;-3.87,.44,;-2.46,1.06,;-5.2,1.21,;-6.54,.44,;-6.54,-1.1,;-7.87,1.21,;-9.2,.44,;-10.54,1.21,;-11.87,.44,;-11.87,-1.1,;-13.21,-1.87,;-10.54,-1.87,;-9.2,-1.1,;7.87,1.1,;9.2,1.87,)|

BDBM498730

COc1cc(CC(=O)Nc2cc([nH]n2)[C@@H]2CC[C@@H](C2)OC(=O)N[C@H]2CC[C@H](O)CC2)ccn1 |r,wU:23.24,wD:17.20,14.14,26.28,(13.21,-.44,;11.87,-1.21,;10.54,-.44,;9.2,-1.21,;7.87,-.44,;6.54,-1.21,;5.2,-.44,;5.2,1.1,;3.87,-1.21,;2.54,-.44,;1.13,-1.06,;.1,.08,;.87,1.41,;2.38,1.09,;-1.43,-.08,;-2.2,-1.41,;-3.71,-1.09,;-3.87,.44,;-2.46,1.06,;-5.2,1.21,;-6.54,.44,;-6.54,-1.1,;-7.87,1.21,;-9.2,.44,;-9.2,-1.1,;-10.54,-1.87,;-11.87,-1.1,;-13.21,-1.87,;-11.87,.44,;-10.54,1.21,;7.87,1.1,;9.2,1.87,;10.54,1.1,)|

BDBM498731

COc1ccc(CC(=O)Nc2cc([nH]n2)[C@@H]2CC[C@@H](C2)OC(=O)N[C@H]2CC[C@H](O)CC2)cn1 |r,wU:24.25,wD:18.21,15.15,27.29,(13.21,1.1,;11.87,1.87,;10.54,1.1,;10.54,-.44,;9.2,-1.21,;7.87,-.44,;6.54,-1.21,;5.2,-.44,;5.2,1.1,;3.87,-1.21,;2.54,-.44,;1.13,-1.06,;.1,.08,;.87,1.41,;2.38,1.09,;-1.43,-.08,;-2.2,-1.41,;-3.71,-1.09,;-3.87,.44,;-2.46,1.06,;-5.2,1.21,;-6.54,.44,;-6.54,-1.1,;-7.87,1.21,;-9.2,.44,;-9.2,-1.1,;-10.54,-1.87,;-11.87,-1.1,;-13.21,-1.87,;-11.87,.44,;-10.54,1.21,;7.87,1.1,;9.2,1.87,)|

BDBM498732

COc1ccc(CC(=O)Nc2cc([nH]n2)[C@@H]2CC[C@@H](C2)OC(=O)N[C@H]2CC[C@H](O)CC2)nc1 |r,wU:24.25,wD:18.21,15.15,27.29,(13.21,1.1,;11.87,1.87,;10.54,1.1,;10.54,-.44,;9.2,-1.21,;7.87,-.44,;6.54,-1.21,;5.2,-.44,;5.2,1.1,;3.87,-1.21,;2.54,-.44,;1.13,-1.06,;.1,.08,;.87,1.41,;2.38,1.09,;-1.43,-.08,;-2.2,-1.41,;-3.71,-1.09,;-3.87,.44,;-2.46,1.06,;-5.2,1.21,;-6.54,.44,;-6.54,-1.1,;-7.87,1.21,;-9.2,.44,;-9.2,-1.1,;-10.54,-1.87,;-11.87,-1.1,;-13.21,-1.87,;-11.87,.44,;-10.54,1.21,;7.87,1.1,;9.2,1.87,)|

BDBM498733

C[C@@]1(O)CC[C@@H](CC1)NC(=O)O[C@H]1CC[C@H](C1)c1cc(NC(=O)Cc2ccccc2)n[nH]1 |r,wU:5.8,1.1,wD:12.12,15.18,1.0,(-11.21,-2.15,;-10.44,-.82,;-11.98,-.82,;-9.1,-1.59,;-7.77,-.82,;-7.77,.72,;-9.1,1.49,;-10.44,.72,;-6.43,1.49,;-5.1,.72,;-5.1,-.82,;-3.77,1.49,;-2.43,.72,;-2.27,-.81,;-.77,-1.13,;0,.2,;-1.03,1.35,;1.54,.36,;2.57,-.78,;3.97,-.16,;5.31,-.93,;6.64,-.16,;6.64,1.38,;7.97,-.93,;9.31,-.16,;10.64,-.93,;11.98,-.16,;11.98,1.38,;10.64,2.15,;9.31,1.38,;3.81,1.38,;2.31,1.7,)|

BDBM498734

C[C@]1(O)CC[C@@H](CC1)NC(=O)O[C@H]1CC[C@H](C1)c1cc(NC(=O)Cc2ccccc2)n[nH]1 |r,wU:5.8,1.0,wD:12.12,15.18,1.1,(-11.21,-2.15,;-10.44,-.82,;-11.98,-.82,;-9.1,-1.59,;-7.77,-.82,;-7.77,.72,;-9.1,1.49,;-10.44,.72,;-6.43,1.49,;-5.1,.72,;-5.1,-.82,;-3.77,1.49,;-2.43,.72,;-2.27,-.81,;-.77,-1.13,;0,.2,;-1.03,1.35,;1.54,.36,;2.57,-.78,;3.97,-.16,;5.31,-.93,;6.64,-.16,;6.64,1.38,;7.97,-.93,;9.31,-.16,;10.64,-.93,;11.98,-.16,;11.98,1.38,;10.64,2.15,;9.31,1.38,;3.81,1.38,;2.31,1.7,)|

BDBM498735

C[C@@]1(O)CC[C@@H](CC1)NC(=O)O[C@H]1CC[C@H](C1)c1cc(NC(=O)Cc2ccc(F)cc2)n[nH]1 |r,wU:5.8,1.1,wD:12.12,15.18,1.0,(-11.87,-2.15,;-11.1,-.82,;-12.64,-.82,;-9.77,-1.59,;-8.43,-.82,;-8.43,.72,;-9.77,1.49,;-11.1,.72,;-7.1,1.49,;-5.77,.72,;-5.77,-.82,;-4.43,1.49,;-3.1,.72,;-2.94,-.81,;-1.43,-1.13,;-.66,.2,;-1.69,1.35,;.87,.36,;1.9,-.78,;3.31,-.16,;4.64,-.93,;5.97,-.16,;5.97,1.38,;7.31,-.93,;8.64,-.16,;9.97,-.93,;11.31,-.16,;11.31,1.38,;12.64,2.15,;9.97,2.15,;8.64,1.38,;3.15,1.38,;1.64,1.7,)|

BDBM498737

Cc1ncc(CC(=O)Nc2cc([nH]n2)[C@@H]2CC[C@@H](C2)OC(=O)N[C@H]2CC[C@@](C)(O)CC2)s1 |r,wU:23.24,26.29,wD:17.20,14.14,26.28,(12.63,.43,;11.09,.59,;10.32,1.93,;8.82,1.6,;8.66,.07,;7.32,-.7,;5.99,.07,;5.99,1.61,;4.66,-.7,;3.32,.07,;1.92,-.55,;.88,.59,;1.65,1.93,;3.16,1.6,;-.65,.43,;-1.42,-.9,;-2.92,-.58,;-3.08,.95,;-1.68,1.57,;-4.42,1.72,;-5.75,.95,;-5.75,-.59,;-7.08,1.72,;-8.42,.95,;-8.42,-.59,;-9.75,-1.36,;-11.09,-.59,;-11.86,-1.93,;-12.63,-.59,;-11.09,.95,;-9.75,1.72,;10.06,-.55,)|

BDBM498738

Cc1ncc(CC(=O)Nc2cc([nH]n2)[C@@H]2CC[C@@H](C2)OC(=O)N[C@H]2CC[C@](C)(O)CC2)s1 |r,wU:23.24,26.28,wD:17.20,14.14,26.29,(12.63,.43,;11.09,.59,;10.32,1.93,;8.82,1.6,;8.66,.07,;7.32,-.7,;5.99,.07,;5.99,1.61,;4.66,-.7,;3.32,.07,;1.92,-.55,;.88,.59,;1.65,1.93,;3.16,1.6,;-.65,.43,;-1.42,-.9,;-2.92,-.58,;-3.08,.95,;-1.68,1.57,;-4.42,1.72,;-5.75,.95,;-5.75,-.59,;-7.08,1.72,;-8.42,.95,;-8.42,-.59,;-9.75,-1.36,;-11.09,-.59,;-11.86,-1.93,;-12.63,-.59,;-11.09,.95,;-9.75,1.72,;10.06,-.55,)|

BDBM498739

COc1ccc(CC(=O)Nc2cc([nH]n2)[C@@H]2CC[C@@H](C2)OC(=O)N[C@H]2CC[C@@](C)(O)CC2)cc1 |r,wU:24.25,27.30,wD:18.21,15.15,27.29,(13.31,1.38,;11.98,2.15,;10.64,1.38,;10.64,-.16,;9.31,-.93,;7.97,-.16,;6.64,-.93,;5.31,-.16,;5.31,1.38,;3.97,-.93,;2.64,-.16,;1.23,-.78,;.2,.36,;.97,1.7,;2.48,1.38,;-1.33,.2,;-2.1,-1.13,;-3.61,-.81,;-3.77,.72,;-2.36,1.35,;-5.1,1.49,;-6.43,.72,;-6.43,-.82,;-7.77,1.49,;-9.1,.72,;-9.1,-.82,;-10.44,-1.59,;-11.77,-.82,;-12.54,-2.15,;-13.31,-.82,;-11.77,.72,;-10.44,1.49,;7.97,1.38,;9.31,2.15,)|

BDBM498740

COc1ccc(CC(=O)Nc2cc([nH]n2)[C@@H]2CC[C@@H](C2)OC(=O)N[C@H]2CC[C@](C)(O)CC2)cc1 |r,wU:24.25,27.29,wD:18.21,15.15,27.30,(13.31,1.38,;11.98,2.15,;10.64,1.38,;10.64,-.16,;9.31,-.93,;7.97,-.16,;6.64,-.93,;5.31,-.16,;5.31,1.38,;3.97,-.93,;2.64,-.16,;1.23,-.78,;.2,.36,;.97,1.7,;2.48,1.38,;-1.33,.2,;-2.1,-1.13,;-3.61,-.81,;-3.77,.72,;-2.36,1.35,;-5.1,1.49,;-6.43,.72,;-6.43,-.82,;-7.77,1.49,;-9.1,.72,;-9.1,-.82,;-10.44,-1.59,;-11.77,-.82,;-12.54,-2.15,;-13.31,-.82,;-11.77,.72,;-10.44,1.49,;7.97,1.38,;9.31,2.15,)|

BDBM498741

COc1ccc(CC(=O)Nc2cc([nH]n2)[C@H]2CC[C@H](C2)OC(=O)N[C@H]2CC[C@@](C)(O)CC2)cc1 |r,wU:24.25,18.21,15.15,27.30,wD:27.29,(13.31,1.38,;11.98,2.15,;10.64,1.38,;10.64,-.16,;9.31,-.93,;7.97,-.16,;6.64,-.93,;5.31,-.16,;5.31,1.38,;3.97,-.93,;2.64,-.16,;1.23,-.78,;.2,.36,;.97,1.7,;2.48,1.38,;-1.33,.2,;-2.1,-1.13,;-3.61,-.81,;-3.77,.72,;-2.36,1.35,;-5.1,1.49,;-6.43,.72,;-6.43,-.82,;-7.77,1.49,;-9.1,.72,;-9.1,-.82,;-10.44,-1.59,;-11.77,-.82,;-12.54,-2.15,;-13.31,-.82,;-11.77,.72,;-10.44,1.49,;7.97,1.38,;9.31,2.15,)|

BDBM498743

COc1cc(CC(=O)Nc2cc([nH]n2)[C@@H]2CC[C@@H](C2)OC(=O)N[C@H]2CC[C@@](C)(O)CC2)ccn1 |r,wU:23.24,26.29,wD:17.20,14.14,26.28,(13.31,-.16,;11.98,-.93,;10.64,-.16,;9.31,-.93,;7.97,-.16,;6.64,-.93,;5.31,-.16,;5.31,1.38,;3.97,-.93,;2.64,-.16,;1.23,-.78,;.2,.36,;.97,1.7,;2.48,1.38,;-1.33,.2,;-2.1,-1.13,;-3.61,-.81,;-3.77,.72,;-2.36,1.35,;-5.1,1.49,;-6.43,.72,;-6.43,-.82,;-7.77,1.49,;-9.1,.72,;-9.1,-.82,;-10.44,-1.59,;-11.77,-.82,;-12.54,-2.15,;-13.31,-.82,;-11.77,.72,;-10.44,1.49,;7.97,1.38,;9.31,2.15,;10.64,1.38,)|

BDBM498744

COc1cc(CC(=O)Nc2cc([nH]n2)[C@@H]2CC[C@@H](C2)OC(=O)N[C@H]2CC[C@](C)(O)CC2)ccn1 |r,wU:23.24,26.28,wD:17.20,14.14,26.29,(13.31,-.16,;11.98,-.93,;10.64,-.16,;9.31,-.93,;7.97,-.16,;6.64,-.93,;5.31,-.16,;5.31,1.38,;3.97,-.93,;2.64,-.16,;1.23,-.78,;.2,.36,;.97,1.7,;2.48,1.38,;-1.33,.2,;-2.1,-1.13,;-3.61,-.81,;-3.77,.72,;-2.36,1.35,;-5.1,1.49,;-6.43,.72,;-6.43,-.82,;-7.77,1.49,;-9.1,.72,;-9.1,-.82,;-10.44,-1.59,;-11.77,-.82,;-12.54,-2.15,;-13.31,-.82,;-11.77,.72,;-10.44,1.49,;7.97,1.38,;9.31,2.15,;10.64,1.38,)|

BDBM498745

COc1ccc(CC(=O)Nc2cc([nH]n2)[C@@H]2CC[C@@H](C2)OC(=O)N[C@H]2CC[C@@](C)(O)CC2)cn1 |r,wU:24.25,27.30,wD:18.21,15.15,27.29,(13.31,1.38,;11.98,2.15,;10.64,1.38,;9.31,2.15,;7.97,1.38,;7.97,-.16,;6.64,-.93,;5.31,-.16,;5.31,1.38,;3.97,-.93,;2.64,-.16,;1.23,-.78,;.2,.36,;.97,1.7,;2.48,1.38,;-1.33,.2,;-2.1,-1.13,;-3.61,-.81,;-3.77,.72,;-2.36,1.35,;-5.1,1.49,;-6.43,.72,;-6.43,-.82,;-7.77,1.49,;-9.1,.72,;-9.1,-.82,;-10.44,-1.59,;-11.77,-.82,;-12.54,-2.15,;-13.31,-.82,;-11.77,.72,;-10.44,1.49,;9.31,-.93,;10.64,-.16,)|

BDBM498746

COc1ccc(CC(=O)Nc2cc([nH]n2)[C@@H]2CC[C@@H](C2)OC(=O)N[C@H]2CC[C@](C)(O)CC2)cn1 |r,wU:24.25,27.29,wD:18.21,15.15,27.30,(13.31,1.38,;11.98,2.15,;10.64,1.38,;9.31,2.15,;7.97,1.38,;7.97,-.16,;6.64,-.93,;5.31,-.16,;5.31,1.38,;3.97,-.93,;2.64,-.16,;1.23,-.78,;.2,.36,;.97,1.7,;2.48,1.38,;-1.33,.2,;-2.1,-1.13,;-3.61,-.81,;-3.77,.72,;-2.36,1.35,;-5.1,1.49,;-6.43,.72,;-6.43,-.82,;-7.77,1.49,;-9.1,.72,;-9.1,-.82,;-10.44,-1.59,;-11.77,-.82,;-12.54,-2.15,;-13.31,-.82,;-11.77,.72,;-10.44,1.49,;9.31,-.93,;10.64,-.16,)|

BDBM498747

C[C@@]1(O)CC[C@@H](CC1)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2cc(F)cc(F)c2)n[nH]1 |r,wU:5.8,12.12,15.18,1.1,wD:1.0,(-11.87,-2.92,;-11.1,-1.59,;-12.64,-1.59,;-9.77,-2.36,;-8.43,-1.59,;-8.43,-.05,;-9.77,.72,;-11.1,-.05,;-7.1,.72,;-5.77,-.05,;-5.77,-1.59,;-4.43,.72,;-3.1,-.05,;-2.94,-1.58,;-1.43,-1.9,;-.66,-.57,;-1.69,.58,;.87,-.41,;1.9,-1.55,;3.31,-.93,;4.64,-1.7,;5.97,-.93,;5.97,.61,;7.31,-1.7,;8.64,-.93,;8.64,.61,;9.97,1.38,;9.97,2.92,;11.31,.61,;11.31,-.93,;12.64,-1.7,;9.97,-1.7,;3.15,.61,;1.64,.93,)|

BDBM498748

C[C@]1(O)CC[C@@H](CC1)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2cc(F)cc(F)c2)n[nH]1 |r,wU:5.8,12.12,15.18,1.0,wD:1.1,(-11.87,-2.92,;-11.1,-1.59,;-12.64,-1.59,;-9.77,-2.36,;-8.43,-1.59,;-8.43,-.05,;-9.77,.72,;-11.1,-.05,;-7.1,.72,;-5.77,-.05,;-5.77,-1.59,;-4.43,.72,;-3.1,-.05,;-2.94,-1.58,;-1.43,-1.9,;-.66,-.57,;-1.69,.58,;.87,-.41,;1.9,-1.55,;3.31,-.93,;4.64,-1.7,;5.97,-.93,;5.97,.61,;7.31,-1.7,;8.64,-.93,;8.64,.61,;9.97,1.38,;9.97,2.92,;11.31,.61,;11.31,-.93,;12.64,-1.7,;9.97,-1.7,;3.15,.61,;1.64,.93,)|

BDBM498761

C[C@H]1CCN1C(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)c2cnnn2C)n[nH]1 |r|

BDBM498764

CC1CCN1C(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2cc(C)no2)n[nH]1 |r|

BDBM498769

COCCn1nccc1C(=O)Nc1cc([nH]n1)[C@H]1CC[C@H](C1)OC(=O)N1CC[C@@H]1C |r|

BDBM498772

CCC1CCN1C(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2cc(C)no2)n[nH]1 |r|

BDBM498776

Cc1cnc(CC(=O)Nc2cc([nH]n2)[C@H]2CC[C@H](C2)OC(=O)N2CCC2(C)C)cn1 |r|

BDBM498778

CCC1(C)CCN1C(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2cc(C)no2)n[nH]1 |r|

BDBM498780

C[C@H]1C[C@H](C)N1C(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2cnn(C)c2)n[nH]1 |r|

BDBM498781

C[C@H]1C[C@H](C)N1C(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2ncc(C)o2)n[nH]1 |r|

BDBM498786

COc1cc(CC(=O)Nc2cc([nH]n2)[C@@H]2CC[C@@H](C2)OC(=O)N2C[C@H](O)[C@H]2C)ccn1 |r|

BDBM498787

COc1cc(CC(=O)Nc2cc([nH]n2)[C@H]2CC[C@H](C2)OC(=O)N2C[C@@H](O)[C@@H]2C)ccn1 |r|

BDBM498789

COc1ccc(CC(=O)Nc2cc([nH]n2)[C@@H]2CC[C@@H](C2)OC(=O)N2C[C@@H](O)[C@@H]2C)cn1 |r|

BDBM498791

COc1ccc(CC(=O)Nc2cc([nH]n2)[C@H]2CC[C@H](C2)OC(=O)N2C[C@H](O)[C@H]2C)cn1 |r|

BDBM498792

C[C@H]1[C@H](O)CN1C(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2cc(F)cc(F)c2)n[nH]1 |r|

BDBM498793

CO[C@@H]1CN([C@H]1C)C(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2cc(C)no2)n[nH]1 |r|

BDBM498794

CO[C@@H]1CN([C@H]1C)C(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2ccnc(OC)c2)n[nH]1 |r|

BDBM498796

CO[C@@H]1CN([C@H]1C)C(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2ccc(OC)nc2)n[nH]1 |r|

BDBM498798

C[C@@H]1N(C[C@@]1(C)O)C(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2cnc(C)s2)n[nH]1 |r|

BDBM498799

COc1cc(CC(=O)Nc2cc([nH]n2)[C@@H]2CC[C@@H](C2)OC(=O)N2C[C@@](C)(O)[C@@H]2C)ccn1 |r|

BDBM498800

COc1cc(CC(=O)Nc2cc([nH]n2)[C@H]2CC[C@H](C2)OC(=O)N2C[C@@](C)(O)[C@@H]2C)ccn1 |r|

BDBM498802

COc1ccc(CC(=O)Nc2cc([nH]n2)[C@H]2CC[C@H](C2)OC(=O)N2C[C@@](C)(O)[C@@H]2C)cn1 |r|

BDBM498803

C[C@H]1CCCN1C(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2ccon2)n[nH]1 |r|

BDBM498804

C[C@H]1CCCN1C(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2cnco2)n[nH]1 |r|

BDBM498807

C[C@H]1CCCN1C(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2cc(C)no2)n[nH]1 |r|

BDBM498809

C[C@H]1CCCN1C(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2cc(C)on2)n[nH]1 |r|

BDBM498810

C[C@H]1CCCN1C(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2ncc(C)o2)n[nH]1 |r|

BDBM498813

C[C@H]1CC[C@H](C)N1C(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2cc(C)no2)n[nH]1 |r|

BDBM498815

C[C@H]1CCCCN1C(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2cc(C)no2)n[nH]1 |r|

BDBM498816

C[C@@H]1CCCCN1C(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2cc(C)no2)n[nH]1 |r|

BDBM498817

C[C@H]1COCCN1C(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2cc(C)no2)n[nH]1 |r|

BDBM498819

C[C@H]1COCCN1C(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2cc(F)cc(F)c2)n[nH]1 |r|

BDBM498820

C[C@@H]1COCCN1C(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2cc(F)cc(F)c2)n[nH]1 |r|

BDBM498821

COc1ncc(CC(=O)Nc2cc([nH]n2)[C@H]2CC[C@H](C2)OC(=O)N2CCOC[C@@H]2C)s1 |r|

BDBM498822

COc1ncc(CC(=O)Nc2cc([nH]n2)[C@H]2CC[C@H](C2)OC(=O)N2CCOC[C@H]2C)s1 |r|

BDBM498823

C[C@H]1COC[C@H](C)N1C(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2cc(C)no2)n[nH]1 |r|

BDBM498824

Cc1cc(CC(=O)Nc2cc([nH]n2)[C@H]2CC[C@H](C2)OC(=O)N2CCOCC2(C)C)on1 |r|

BDBM525493

Cn1cc(cn1)-c1ccc2cnc(NC(=O)CN3CCC(CC3)C3CC3)cc2c1

BDBM525527

Cn1cc(cn1)-c1ccc2cnc(NC(=O)C3CC[C@H](CO)CC3)cc2c1 |r,wU:19.20,(-9.05,3.21,;-8.28,1.88,;-6.82,1.41,;-6.82,-.13,;-8.28,-.61,;-9.19,.64,;-5.48,-.9,;-5.48,-2.44,;-4.15,-3.21,;-2.82,-2.44,;-1.48,-3.21,;-.15,-2.44,;-.15,-.9,;1.18,-.13,;2.52,-.9,;2.52,-2.44,;3.85,-.13,;5.19,-.9,;6.52,-.13,;6.52,1.41,;7.85,2.18,;9.19,1.41,;5.19,2.18,;3.85,1.41,;-1.48,-.13,;-2.82,-.9,;-4.15,-.13,)|

BDBM530229

CC1(C)CC(=O)C2=C(C1)Nc1ncsc1[C@]2(C)c1ccccc1 |r,c:6|

BDBM530230

CC1(C)CC(=O)C2=C(C1)Nc1ncsc1[C@@]2(C)c1ccccc1 |r,c:6|

BDBM530231

CC1(C)CC(=O)C2=C(C1)Nc1ncsc1[C@]2(C)c1cccc(F)c1 |r,c:6|

BDBM530232

CC1(C)CC(=O)C2=C(C1)Nc1ncsc1[C@@]2(C)c1cccc(F)c1 |r,c:6|

BDBM530233

CC[C@@]1(c2scnc2NC2=C1C(=O)CC(C)(C)C2)c1ccccc1 |r,c:10|

BDBM530234

CC[C@]1(c2scnc2NC2=C1C(=O)CC(C)(C)C2)c1ccccc1 |r,c:10|

BDBM530235

CC[C@@]1(c2scnc2NC2=C1C(=O)CC(C)(C)C2)c1cccc(F)c1 |r,c:10|

BDBM530236

CC[C@]1(c2scnc2NC2=C1C(=O)CC(C)(C)C2)c1cccc(F)c1 |r,c:10|

BDBM530237

CC[C@@]1(c2scnc2NC2=C1C(=O)CC(C)(C)C2)c1cccc(Cl)c1 |r,c:10|

BDBM530238

CC[C@]1(c2scnc2NC2=C1C(=O)CC(C)(C)C2)c1cccc(Cl)c1 |r,c:10|

BDBM530239

CC[C@@]1(c2scnc2NC2=C1C(=O)CC(C)(C)C2)c1cccc(C)c1 |r,c:10|

BDBM530240

CC[C@]1(c2scnc2NC2=C1C(=O)CC(C)(C)C2)c1cccc(C)c1 |r,c:10|

BDBM530241

CC[C@@]1(c2scnc2NC2=C1C(=O)CC(C)(C)C2)c1cccc(OC)c1 |r,c:10|

BDBM530242

CC[C@]1(c2scnc2NC2=C1C(=O)CC(C)(C)C2)c1cccc(OC)c1 |r,c:10|

BDBM530243

CC[C@@]1(c2scnc2NC2=C1C(=O)CC1(CCCCC1)C2)c1ccccc1 |r,c:10|

BDBM530244

CC[C@]1(c2scnc2NC2=C1C(=O)CC1(CCCCC1)C2)c1ccccc1 |r,c:10|

BDBM303229

CC1(C)CC(=O)C2=C(C1)Nc1n[nH]cc1[C@]2(C)c1ccccc1 |r,c:6|

BDBM50508889

CC[C@@]1(c2c[nH]nc2NC3=C1C(=O)CC(C3)(C)C)c4ccccc4

BDBM50325983

Cc1c[nH]c(n1)c2cnc(nc2c3ccc(cc3Cl)Cl)NCCNc4ccc(cn4)C#N

BDBM50540739

CC(C)Oc1cncc(c1)-c1ccc2[nH]nc(C(=O)NCC3CCOCC3)c2c1

BDBM50540740

COCc1cncc(c1)-c1ccc2[nH]nc(C(=O)NCC3CCOCC3)c2c1

BDBM576974

CC(C)Oc1cncc(c1)-c1ccc2[nH]nc(C(=O)NCC3CCOC3)c2c1

BDBM576975

COCc1cncc(c1)-c1ccc2[nH]nc(C(=O)NCC3CCS(=O)(=O)C3)c2c1

BDBM576976

OCc1cncc(c1)-c1ccc2[nH]nc(C(=O)NC3CCS(=O)(=O)C3)c2c1

BDBM50540729

Fc1cccc(c1F)-c1ccc2[nH]nc(C(=O)NCC3CCOCC3)c2c1

BDBM576980

Fc1cccc(c1F)-c1ccc2[nH]nc(C(=O)NC[C@@H]3CCOC3)c2c1 |r|

BDBM576981

Fc1cccc(c1F)-c1ccc2[nH]nc(C(=O)NC[C@H]3CCOC3)c2c1 |r|

BDBM50540737

Fc1cccc(-c2ccc3[nH]nc(C(=O)NC4CCS(=O)(=O)C4)c3c2)c1F

BDBM576984

CC(C)Oc1cncc(c1)-c1ccc2[nH]nc(C(=O)NCC3CCS(=O)(=O)C3)c2c1

BDBM50540730

Fc1cccc(c1F)-c1ccc2[nH]nc(C(=O)NCC3CCCOC3)c2c1

BDBM50540732

Fc1cccc(c1F)-c1ccc2[nH]nc(C(=O)NCC3CCCO3)c2c1

BDBM576987

Fc1cccc(c1F)-c1ccc2[nH]nc(C(=O)NCC3CCCCO3)c2c1

BDBM50540731

Fc1cccc(c1F)-c1ccc2[nH]nc(C(=O)NCC3CCOC3)c2c1

BDBM576989

CN(C)Cc1cncc(c1)-c1ccc2[nH]nc(C(=O)NCC3CCOCC3)c2c1

BDBM576990

O=C(NCC1CCOCC1)c1n[nH]c2ccc(cc12)-c1cncc(CN2CCCC2)c1

BDBM50540743

OCc1ccncc1-c1ccc2[nH]nc(C(=O)NCC3CCOCC3)c2c1

BDBM576992

O=C(NCC1CCOCC1)c1n[nH]c2ccc(cc12)-c1cnccc1CN1CCCC1

BDBM576993

O=C(NCC1CCOCC1)c1n[nH]c2ccc(cc12)-c1cnccc1CN1CCOCC1

BDBM576994

CN(C)Cc1ccncc1-c1ccc2[nH]nc(C(=O)NCC3CCOCC3)c2c1

BDBM50540742

COCc1ccncc1-c1ccc2[nH]nc(C(=O)NCC3CCOCC3)c2c1

BDBM50540738

O=C(NCC1CCOCC1)c1n[nH]c2ccc(cc12)-c1cccnc1

BDBM576997

O=C(NCC1CCOCC1)c1n[nH]c2ccc(cc12)-c1cnccc1CN1CCNCC1

BDBM50540735

Fc1cccc(-c2ccc3[nH]nc(C(=O)NC4CCOC4)c3c2)c1F

BDBM576999

O=C(NCC1CCOCC1)c1n[nH]c2ccc(cc12)-c1cncc(CN2CCOCC2)c1

BDBM577001

CNCc1cncc(c1)-c1ccc2[nH]nc(C(=O)NCC3CCOCC3)c2c1

BDBM605548

Cn1cc(cn1)-c1ccc2cnc(NC(=O)C(C)(C)F)cc2c1

BDBM610450

O=C(Nc1cccnc1)c1ccnn2cc(nc12)-c1ccccc1

BDBM610451

Cc1ccncc1NC(=O)c1ccnn2cc(nc12)-c1ccccc1

BDBM610452

CC(C)Oc1ccncc1NC(=O)c1ccnn2cc(nc12)-c1ccccc1

BDBM610453

FC(F)(F)COc1ccncc1NC(=O)c1ccnn2cc(nc12)-c1ccccc1

BDBM610454

CS(=O)(=O)c1ccncc1NC(=O)c1ccnn2cc(nc12)-c1ccccc1

BDBM610455

O=C(Nc1cnccc1-c1ccccc1)c1ccnn2cc(nc12)-c1ccccc1

BDBM610456

Fc1ccc(cc1)-c1ccncc1NC(=O)c1ccnn2cc(nc12)-c1ccccc1

BDBM610457

O=C(Nc1cnccc1-c1ccc(cc1)C#N)c1ccnn2cc(nc12)-c1ccccc1

BDBM610458

O=C(Nc1cnccc1N1CCCCC1)c1ccnn2cc(nc12)-c1ccccc1

BDBM610459

O=C(Nc1cnccc1N1CCC(CC1)C#N)c1ccnn2cc(nc12)-c1ccccc1

BDBM610460

FC1CCN(CC1)c1ccncc1NC(=O)c1ccnn2cc(nc12)-c1ccccc1

BDBM610461

FC1(F)CCN(CC1)c1ccncc1NC(=O)c1ccnn2cc(nc12)-c1ccccc1

BDBM610462

O=C(Nc1cnccc1N1CCOCC1)c1ccnn2cc(nc12)-c1ccccc1

BDBM610463

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

BDBM610468

C[C@@H]1COCCN1c1ccncc1NC(=O)c1ccnn2cc(nc12)-c1ccccc1 |r|

BDBM610469

C[C@H]1COCCN1c1ccncc1NC(=O)c1ccnn2cc(nc12)-c1ccccc1 |r|

BDBM610471

COc1cncc(NC(=O)c2ccnn3cc(nc23)-c2ccccc2)c1

BDBM610472

Fc1cc(N2CCC(F)(F)CC2)c(NC(=O)c2ccnn3cc(nc23)-c2ccccc2)cn1

BDBM610473

CC1CN(CCO1)c1cc(F)ncc1NC(=O)c1ccnn2cc(nc12)-c1ccccc1

BDBM610475

COc1ccccc1-c1cn2nccc(C(=O)Nc3cnccc3N3CCC(F)(F)CC3)c2n1

BDBM610476

COc1ccccc1-c1cn2nccc(C(=O)Nc3cnccc3N3CCOC(C)C3)c2n1

BDBM610477

FC(F)(F)c1ccc(cc1)-c1cn2nccc(C(=O)Nc3cnccc3N3CCOCC3)c2n1

BDBM610478

CC1CN(CCO1)c1ccncc1NC(=O)c1ccnn2cc(nc12)-c1ccc(cc1)C(F)(F)F

BDBM610479

O=C(Nc1cnccc1N1CCCCC1)c1ccnn2ccnc12

BDBM610480

FC1(F)CCN(CC1)c1ccncc1NC(=O)c1ccnn2ccnc12

BDBM610481

CC1CN(CCO1)c1ccncc1NC(=O)c1ccnn2ccnc12

BDBM610482

Fc1ccc(cc1)-c1ccncc1NC(=O)c1ccnn2cc(nc12)C1CC1

BDBM610483

FC1(F)CCN(CC1)c1ccncc1NC(=O)c1ccnn2cc(nc12)C1CC1

BDBM610484

CC1CN(CCO1)c1ccncc1NC(=O)c1ccnn2cc(nc12)C1CC1

BDBM610485

Fc1ccc(cc1)-c1ccncc1NC(=O)c1ccnn2cc(nc12)C1=CCCCC1 |t:29|

BDBM610486

FC1(F)CCN(CC1)c1ccncc1NC(=O)c1ccnn2cc(nc12)C1=CCCCC1 |t:30|

BDBM610487

CC1CN(CCO1)c1ccncc1NC(=O)c1ccnn2cc(nc12)C1=CCCCC1 |t:29|

BDBM610488

O=C(Nc1cnccc1N1CCOCC1)c1ccnn2cc(nc12)-c1cccnc1

BDBM610489

CCOc1ncncc1NC(=O)c1ccnn2cc(nc12)-c1ccccc1

BDBM610490

FC(F)(F)COc1ncncc1NC(=O)c1ccnn2cc(nc12)-c1ccccc1

BDBM610491

O=C(Nc1cccnc1)c1ccnn2c(NCC3CC3)cnc12

BDBM610492

Cc1ccncc1NC(=O)c1ccnn2c(NCC3CC3)cnc12

BDBM610494

CC(C)Oc1ccncc1NC(=O)c1ccnn2c(NCC3CC3)cnc12

BDBM610495

O=C(Nc1cnccc1-c1ccccc1)c1ccnn2c(NCC3CC3)cnc12

BDBM610496

FC1(F)CCN(CC1)c1ccncc1NC(=O)c1ccnn2c(NCC3CC3)cnc12

BDBM610497

O=C(Nc1cnccc1N1CCOCC1)c1ccnn2c(NCC3CC3)cnc12

BDBM610498

CC1CN(CCO1)c1ccncc1NC(=O)c1ccnn2c(NCC3CC3)cnc12

BDBM610499

CC(C)Oc1ccncc1NC(=O)c1ccnn2c(NC(=O)C3CC3)cnc12

BDBM610500

CC(C)Oc1ccncc1NC(=O)c1ccnn2c(NC(=O)C3CCC3)cnc12

BDBM611576

CCCNC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2ccnc(OC)c2)n[nH]1 |r|

BDBM611653

CC(C)NC(=O)C[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2cnc(C)s2)n[nH]1 |r|

BDBM611660

COc1cnc(CC(=O)Nc2cc([nH]n2)[C@H]2CC[C@H](C2)OC(=O)NC2(C)CC2)cn1 |r|

BDBM611662

COCc1cc(C(=O)Nc2cc([nH]n2)[C@H]2CC[C@H](C2)OC(=O)NC2(C)CC2)n(C)n1 |r|

BDBM611663

COCc1cc(C(=O)Nc2cc([nH]n2)[C@H]2CC[C@H](C2)OC(=O)NC(C)CC(F)(F)F)n(C)n1 |r,w:23.25|

BDBM611664

COCc1cc(C(=O)Nc2cc([nH]n2)[C@H]2CC[C@H](C2)OC(=O)N[C@@H](C)CC(F)(F)F)n(C)n1 |r|

BDBM611672

CC[C@H](C)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)c2cc(COC)nn2C)n[nH]1 |r|

BDBM611675

CC[C@H](C)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2ccno2)n[nH]1 |r|

BDBM612196

COc1ncc(CC(=O)Nc2cc([nH]n2)[C@H]2CC[C@H](C2)OC(=O)NC2(C)CCOCC2)s1 |r|

BDBM582702

CN1CCN(CC1)c1cc(ccn1)C(=O)Nc1cc2cc(ccc2cn1)C1CNNC1

BDBM618481

O\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2ccc(I)cc12

BDBM750389

COC[C@H]1C[C@@H]1C(=O)Nc3cc([C@H]2CC[C@@H](OC(N)=O)C2)[nH]n3

BDBM750397

CCS(=O)(=O)N1CC[C@@H](C(=O)Nc2cc([C@H]3CC[C@@H](OC(=O)NC(C)C)C3)[nH]n2)C1

BDBM750400

CC1(NC(=O)OC2COC(c3cc(NC(=O)Cc4cc(F)cc(F)c4)n[nH]3)C2)CCOC1

BDBM750445

Cn1nccc1C(=O)Nc1cc([C@@H]2C[C@H](OC(=O)NC34CC(C3)C4)CO2)[nH]n1

BDBM750448

CC[C@H](C)NC(=O)O[C@@H]1CO[C@H](c2cc(NC(=O)c3ccnn3C)n[nH]2)C1

BDBM50239757

CCCCCCCC(=O)NNC(=O)c1c(O)c2cc(F)ccc2[nH]c1=O

BDBM50239758

CCCCCCNC(=O)c1c(O)c2ccccc2n(C)c1=O

BDBM50239759

Cn1c2ccccc2c(O)c(C(=O)NCC(=O)NCC(=O)OCc2ccccc2)c1=O

BDBM50239760

Cn1c2ccccc2c(O)c(C(=O)NNCCC#N)c1=O

BDBM50239761

[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#7]-[#6](=O)-c1c(-[#8])c2ccccc2n(-[#6]\[#6]=[#6](\[#6])-[#6])c1=O

BDBM50239762

[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#7]-[#6](=O)-c1c(-[#8])c2ccccc2n(-[#6]\[#6]=[#6](\[#6])-[#6])c1=O

BDBM50239763

CCCCCCCCCCCC(=O)NNC(=O)c1c(O)c2ccccc2n(CC(C)C)c1=O

BDBM50239764

CCn1c2ccccc2c(O)c(C(=O)NNC(=O)CCc2c[nH]c3ccccc23)c1=O

BDBM50239765

CCCCCCCC(=O)NNC(=O)c1c(O)c2ccccc2n(CC)c1=O

BDBM50239766

Cn1c2ccccc2c(O)c(C(=O)NNC(=O)Cc2ccccc2)c1=O

BDBM50239767

CC(=O)NNC(=O)c1c(O)c2ccccc2n(C)c1=O

BDBM50239768

Cn1c2ccccc2c(O)c(C(=O)NNC(=O)c2ccccc2)c1=O

BDBM50239769

CCCCCCCC(=O)NNC(=O)c1c(O)nc2ccccc2c1O

BDBM50239770

CCCCCCCCCCCC(=O)NNC(=O)c1c(O)c2ccccc2[nH]c1=O

BDBM50239771

CCn1c2ccccc2c(O)c(C(=O)NNC(=O)CCc2ccc(O)cc2)c1=O

BDBM50239772

Cn1c2ccccc2c(O)c(C(=O)NNC(=O)CCc2c[nH]c3ccccc23)c1=O

BDBM50005337

OCC(O)CO\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2ccccc12

BDBM50239775

OC[C@H]1O[C@@H](OCCO\N=C2\C(\Nc3ccccc\23)=C2\C(=O)Nc3ccccc23)[C@H](O)[C@@H](O)[C@@H]1O |r|

BDBM50239776

COc1ccc2NC(=O)\C(=C3\Nc4ccccc4\C\3=N/OCCO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2c1 |r|

BDBM50239778

COc1ccc2NC(=O)\C(=C3/Nc4ccccc4/C/3=N\O)c2c1

BDBM50239777

Cc1ccc2NC(=O)\C(=C3/Nc4ccccc4/C/3=N\OCCO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2c1 |r|

BDBM50239773

CN1CCN(CCON=C2C(Nc3ccccc23)=C2C(=O)Nc3cc(Br)ccc23)CC1

BDBM50166289

c1ccc2c(c1)/C(=C/3\C(=N\O)\c4ccccc4N3)/C(=O)N2

BDBM50243389

Nc1nc(NCCNc2ncc(c(n2)-c2ccc(Cl)cc2Cl)-n2ccnc2)ccc1[N+]([O-])=O

BDBM50313013

Nc1nc(NCCNc2ncc(-c3ncc[nH]3)c(n2)-c2ccc(Cl)cc2Cl)ccc1[N+]([O-])=O

BDBM50138465

NC1=NC(NC(=O)N1)c1ccc(F)cc1 |t:1|

BDBM50251457

C(Cn1cc(-c2ccncc2)c2ccncc12)C1CC1

BDBM50251458

Nc1nccc(n1)-c1c[nH]c2cc(ccc12)C(F)(F)F

BDBM50251475

COc1cccc2c(c[nH]c12)-c1ccnc(N)n1

BDBM50251477

Clc1cnccc1-c1c[nH]c2cnccc12

BDBM50251482

COc1ccc2c(c[nH]c2c1)-c1ccnc(N)c1

BDBM50251436

COCCn1cc(-c2ccncc2)c2ccncc12

BDBM50251452

Cn1cc(-c2ccncc2)c2ccncc12

BDBM50251503

Nc1cc(ccn1)-c1c[nH]c2c(cccc12)C#N

BDBM50347796

Nc1nccc(n1)-c1c[nH]c2c(Br)cccc12

BDBM50251451

Fc1ccc(Cn2cc(-c3ccncc3)c3ccncc23)cc1

BDBM50251478

Nc1nccc(n1)-c1c[nH]c2c(cccc12)C#N

BDBM50251508

Nc1nccc(n1)-c1c[nH]c2cc(Cl)ccc12

BDBM50251509

CC(C)n1cc(-c2ccncc2)c2ccncc12

BDBM50251453

Nc1nccc(n1)-c1c[nH]c2cnccc12

BDBM50251506

COc1ccc2c(c[nH]c2c1)-c1ccnc(N)n1

BDBM50251483

c1[nH]c2cnccc2c1-c1cccnc1

BDBM50251476

C(CN1CCOCC1)Cn1cc(-c2ccncc2)c2ccncc12

BDBM50251456

c1[nH]c2cnccc2c1-c1ccncc1

BDBM50347806

Nc1nccc(n1)-c1c[nH]c2c(cccc12)[N+]([O-])=O

BDBM50254739

CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)CNC(=O)C(N)CCCCn1cc(CCCCNC(=O)CCCCCn2nc(N)c3cc(nnc23)-c2c(nn3ccccc23)-c2ccccc2)nn1)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(O)=O |r|

BDBM50166940

O=c1sn(-c2cccc3ccccc23)c(=O)n1Cc1ccccc1

BDBM50259153

[Li+]

BDBM50259154

[Zn]

BDBM50012188

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

BDBM50259155

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

BDBM153738

Oc1c(Cl)cc(NC2=C(C(=O)NC2=O)c2cccc(c2)[N+]([O-])=O)cc1Cl |t:7|

BDBM8296

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

BDBM50229962

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

BDBM50259156

O=C1NC(=O)C(=C1c1cn(CCC2N=CC=N2)c2ccccc12)c1noc2ccccc12 |c:5,14,16|

BDBM50130719

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

BDBM50259158

C[C@@H](CC\C=C(/C)C[C@H]1OC(=O)C(C)=C1O)\C=C\C=C(/C)CCCc1ccoc1 |r,c:13|

BDBM50259159

C[C@@H](CC\C=C(/C)CC1OC(=O)C(=O)C1=O)\C=C\C=C(/C)CCCc1ccoc1 |r|

BDBM50259160

[H][C@@]12NC(=N)N[C@@]11CCCC1C(=O)c1[nH]c(Br)c(Br)c21 |r|

BDBM50259161

Cn1cc(C2=C(C(=O)NC2=O)c2nn(CCCN3CCOCC3)c3ncccc23)c2ccccc12 |t:4|

BDBM50259162

Clc1cc(NCCc2ccncc2)c2n[nH]c(=O)n2c1

BDBM50267625

O\C=c1/c2ccccc2[nH]/c/1=C1\C(=O)Cc2cc(Br)ccc12

BDBM50267626

Oc1[nH]c2ccc(cc2c1-c1ccc(CN2CCOCC2)cn1)C#N

BDBM50269409

CC(C)N1CCN([C@H](C)C1)c1nc(cc(=O)n1C)-c1ccncn1 |r|

BDBM50269410

CN1CCN(CC1)c1nc(cc(=O)n1C)-c1ccncn1

BDBM50269411

C[C@H]1CN(C)CCN1c1nc(cc(=O)n1C)-c1ccncn1 |r|

BDBM50269412

C[C@H]1CNCCN1c1nc(cc(=O)n1C)-c1ccncn1 |r|

BDBM50269413

C[C@@H]1CN(CCN1c1nc(cc(=O)n1C)-c1ccncn1)c1ccc(cc1)C#N |r|

BDBM50269415

C[C@@H]1CN(CCN1c1nc(cc(=O)n1C)-c1ccncn1)c1ccncc1 |r|

BDBM50269416

C[C@@H]1CN(CCN1c1nc(cc(=O)n1C)-c1ccncn1)c1cccnc1 |r|

BDBM50269417

C[C@@H]1CN(CCN1c1nc(cc(=O)n1C)-c1ccncn1)c1ccccn1 |r|

BDBM50269418

C[C@@H]1CN(CCN1c1nc(cc(=O)n1C)-c1ccncn1)c1ncccn1 |r|

BDBM50269419

C[C@H]1CN(C)CCN1c1nc(cc(=O)n1C)-c1ccncc1 |r|

BDBM50269420

C[C@H]1CNCCN1c1nc(cc(=O)n1C)-c1ccncc1 |r|

BDBM50269421

C[C@@H]1CN(C)CCN1c1nc(cc(=O)n1C)-c1ccncn1 |r|

BDBM50269422

C[C@@H]1CN(CCN1c1nc(cc(=O)n1C)-c1ccncn1)c1cncnc1 |r|

BDBM50269423

C[C@@H]1CNCCN1c1nc(cc(=O)n1C)-c1ccncn1 |r|

BDBM50269424

C[C@@H]1CN(CCN1c1nc(cc(=O)n1C)-c1ccncn1)C(C)=O |r|

BDBM50269426

C[C@@H]1CN(CCN1c1nc(cc(=O)n1C)-c1ccncn1)c1ccccc1 |r|

BDBM50269427

C[C@@H]1CN(Cc2ccccc2)CCN1c1nc(cc(=O)n1C)-c1ccncn1 |r|

BDBM50269428

COc1cccc(c1)N1CCN([C@H](C)C1)c1nc(cc(=O)n1C)-c1ccncn1 |r|

BDBM50269429

COc1ccc(cc1)N1CCN([C@H](C)C1)c1nc(cc(=O)n1C)-c1ccncn1 |r|

BDBM50269430

C[C@@H]1CN(CCN1c1nc(cc(=O)n1C)-c1ccncn1)c1ccccc1C#N |r|

BDBM50269431

C[C@@H]1CN(CCN1c1nc(cc(=O)n1C)-c1ccncn1)c1cccc(c1)C#N |r|

BDBM50269432

C[C@@H]1CN(CCN1c1nc(cc(=O)n1C)-c1ccncn1)S(C)(=O)=O |r|

BDBM50269433

C[C@@H]1CN(CCN1c1nc(cc(=O)n1C)-c1ccncn1)S(=O)(=O)c1ccc(C)cc1 |r|

BDBM50269434

C[C@H]1CN(CCN1Cc1ccccc1)c1nc(cc(=O)n1C)-c1ccncn1 |r|

BDBM50269435

C[C@@H]1CN(CCN1Cc1ccccc1)c1nc(cc(=O)n1C)-c1ccncn1 |r|

BDBM50269436

CC[C@@H]1CN(Cc2ccccc2)CCN1c1nc(cc(=O)n1C)-c1ccncn1 |r|

BDBM50269437

C[C@@H]1CN(CCN1c1nc(cc(=O)n1C)-c1ccncn1)c1ccccc1F |r|

BDBM50269440

COc1ccccc1N1CCN([C@H](C)C1)c1nc(cc(=O)n1C)-c1ccncn1 |r|

BDBM50269443

C[C@@H]1CN(CCN1c1nc(cc(=O)n1C)-c1ccncn1)c1cccc(F)c1 |r|

BDBM50269438

C[C@@H]1CN(CCN1c1nc(cc(=O)n1C)-c1ccncn1)c1ccc(F)cc1 |r|

BDBM50269439

C[C@@H]1CN(CCN1c1nc(cc(=O)n1C)-c1ccncn1)c1ccc(Cl)cc1 |r|

BDBM50269444

COC(=O)N1CCN([C@H](C)C1)c1nc(cc(=O)n1C)-c1ccncn1 |r|

BDBM50269442

C[C@@H]1CN(CCN1c1nc(cc(=O)n1C)-c1ccncn1)C(=O)c1ccccc1 |r|

BDBM50269445

C[C@@H]1CN(C)CCN1c1nc(cc(=O)n1C)-c1ccncc1 |r|

BDBM50269446

C[C@@H]1CNCCN1c1nc(cc(=O)n1C)-c1ccncc1 |r|

BDBM50269447

COc1cc(F)ccc1C1CN(CCN1)c1nc(cc(=O)n1C)-c1ccncn1

BDBM50269448

Cn1c(nc(cc1=O)-c1ccncn1)N1CCNC(C1)c1ccccc1F

BDBM50269449

Cn1c(nc(cc1=O)-c1ccncc1)N1CCNC(C1)c1ccccc1Cl

BDBM50269450

Cn1c(nc(cc1=O)-c1ccncc1)N1CCNC(C1)c1ccccc1Br

BDBM50269451

Cn1c(nc(cc1=O)-c1ccncn1)N1CCN[C@@H](C1)c1ccc(Cl)cc1

BDBM50269452

Cn1c(nc(cc1=O)-c1ccncn1)N1CCN[C@H](C1)c1ccc(Cl)cc1

BDBM50269453

Cn1c(nc(cc1=O)-c1ccncc1)N1CCN[C@H](C1)c1ccc(Cl)cc1

BDBM50269454

COc1cc(F)ccc1C1CN(CCN1C(C)=O)c1nc(cc(=O)n1C)-c1ccncn1

BDBM50269455

COc1cc(F)ccc1C1CN(CCN1)c1nc(cc(=O)n1C)-c1ccncc1

BDBM50269456

Cn1c(nc(cc1=O)-c1ccncn1)N1CCNC(C1)c1ccccc1Br

BDBM50269457

Cn1c(nc(cc1=O)-c1ccncn1)N1CCNC(C1)c1ccc(Cl)c(Cl)c1

BDBM50269458

COc1ccc(cc1OC)C1CN(CCN1)c1nc(cc(=O)n1C)-c1ccncn1

BDBM50269459

COc1ccc(cc1OC)C1CN(CCN1)c1nc(cc(=O)n1C)-c1ccncc1

BDBM50269460

COc1cccc(c1)C1CN(CCN1)c1nc(cc(=O)n1C)-c1ccncc1

BDBM50269461

Cn1c(nc(cc1=O)-c1ccncc1)N1CCNC(C1)c1cccc(F)c1

BDBM50269462

Cn1c(nc(cc1=O)-c1ccncn1)N1CCNC(C1)c1cccc(F)c1

BDBM50269463

Cn1c(nc(cc1=O)-c1ccncc1)N1CCNC(C1)c1cccc(Cl)c1

BDBM50269464

Cn1c(nc(cc1=O)-c1ccncn1)N1CCNC(C1)c1cccc(Br)c1

BDBM50269465

COc1ccc(cc1)C1CN(CCN1)c1nc(cc(=O)n1C)-c1ccncc1

BDBM50269466

Cn1c(nc(cc1=O)-c1ccncc1)N1CCNC(C1)c1ccc(F)cc1

BDBM50269467

Cn1c(nc(cc1=O)-c1ccncn1)N1CCNC(C1)c1ccc(F)cc1

BDBM50269468

Cn1c(nc(cc1=O)-c1ccncc1)N1CCNC(C1)c1ccc(Cl)cc1

BDBM50269469

Cn1c(nc(cc1=O)-c1ccncc1)N1CCNC(C1)c1ccc(Br)cc1

BDBM50269470

Cn1c(nc(cc1=O)-c1ccncc1)N1CCNC(C1)c1ccccc1

BDBM50269471

COc1ccccc1C1CN(CCN1)c1nc(cc(=O)n1C)-c1ccncc1

BDBM50269472

COc1ccccc1C1CN(CCN1)c1nc(cc(=O)n1C)-c1ccncn1

BDBM50269473

Cn1c(nc(cc1=O)-c1ccncn1)N1CCNC(C1)c1ccc(Br)cc1

BDBM50269474

CCOc1ccccc1C1CN(CCN1)c1nc(cc(=O)n1C)-c1ccncc1

BDBM50269475

COc1cc(F)ccc1C1CN(CCN1C(C)=O)c1nc(cc(=O)n1C)-c1ccncc1

BDBM50269476

COc1cc(F)ccc1C1CN(CCN1Cc1ccccc1)c1nc(cc(=O)n1C)-c1ccncn1

BDBM50269477

COc1cc(F)ccc1C1CN(CCN1Cc1ccccc1)c1nc(cc(=O)n1C)-c1ccncc1

BDBM50269480

COc1cc(F)ccc1C1CN(CCN1C)c1nc(cc(=O)n1C)-c1ccncn1

BDBM50269481

COc1cc(F)ccc1C1CN(CCN1C)c1nc(cc(=O)n1C)-c1ccncc1

BDBM50269482

Cn1c(nc(cc1=O)-c1ccncc1)N1CCNC(C1)c1ccc(cc1)C#N

BDBM50269483

Cn1c(nc(cc1=O)-c1ccncn1)N1CCNC(C1)c1ccc(cc1)C#N

BDBM50269484

COc1cc(F)cc(F)c1C1CN(CCN1)c1nc(cc(=O)n1C)-c1ccncc1

BDBM50269485

COc1cc(F)cc(F)c1C1CN(CCN1)c1nc(cc(=O)n1C)-c1ccncn1

BDBM50269486

Cc1cc(F)ccc1C1CN(CCN1)c1nc(cc(=O)n1C)-c1ccncc1

BDBM50269487

CCOc1ccccc1C1CN(CCN1)c1nc(cc(=O)n1C)-c1ccncn1

BDBM50269488

Cn1c(nc(cc1=O)-c1ccncc1)N1CCNC(C1)c1ccccc1F

BDBM50269489

Cn1c(nc(cc1=O)-c1ccncn1)N1CCNC(C1)c1ccccc1Cl

BDBM50269490

Cn1c(nc(cc1=O)-c1ccncc1)N1CCNC(C1)c1ccc(Cl)c(Cl)c1

BDBM50269491

COc1cccc(c1)C1CN(CCN1)c1nc(cc(=O)n1C)-c1ccncn1

BDBM50269492

Cn1c(nc(cc1=O)-c1ccncn1)N1CCNC(C1)c1cccc(Cl)c1

BDBM50269493

COc1ccc(cc1)C1CN(CCN1)c1nc(cc(=O)n1C)-c1ccncn1

BDBM50269494

Cn1c(nc(cc1=O)-c1ccncn1)N1CCNC(C1)c1ccc(Cl)cc1

BDBM50269495

Cn1c(nc(cc1=O)-c1ccncc1)N1CCN[C@@H](C1)c1ccc(Cl)cc1

BDBM50271731

COc1ccccc1Nc1ncc(Cl)c(n1)-c1ccc(C(N)=O)c(c1)C(C)C

BDBM50271755

NC(=O)c1ccc(cc1)-c1ccnc(Nc2cc(ccc2F)-c2ccccc2)n1

BDBM50271753

COc1ccccc1Nc1nccc(n1)-c1ccc(C(N)=O)c(c1)C(C)C

BDBM50271775

COc1ccccc1Nc1nccc(n1)-c1ccc(C(O)=O)c(c1)C(C)C

BDBM50271756

OC(=O)c1ccc(cc1)-c1ccnc(Nc2cccc(c2)-c2ccccc2)n1

BDBM50271745

NC(=O)c1ccc(cc1)-c1ccnc(Nc2cccc(c2)-c2ccccc2)n1

BDBM50271733

Cc1ccc(cc1Nc1nccc(n1)-c1ccc(cc1)C(N)=O)-c1ccccc1

BDBM50271757

COc1ccc(cc1Nc1nccc(n1)-c1ccc(cc1)C(N)=O)-c1ccccc1

BDBM50271781

COc1ccccc1Nc1nccc(n1)-c1ccc(cc1)C(N)=O

BDBM50271743

COc1ccccc1Nc1ncc(F)c(n1)-c1ccc(C(N)=O)c(c1)C(C)C

BDBM50271782

COc1ccccc1Nc1nccc(n1)-c1ccc(cc1)C(O)=O

BDBM50271738

COc1ccccc1Nc1ncc(F)c(n1)-c1ccc(C(O)=O)c(c1)C(C)C

BDBM50274762

NC(=O)c1c(O)cc(O)c2c3nc[nH]c(=O)c3oc12

BDBM50274742

NC(=O)c1c(O)cc(O)c2c1oc1c2[nH]c(=O)[nH]c1=O

BDBM50274761

NC(=O)c1c(O)cc(O)c2c1oc1c(N)ncnc21

BDBM50256734

CC(=O)C1C(=O)C=C2Oc3c(c(O)cc(O)c3C(N)=O)[C@]2(C)C1=O |r,t:6|

BDBM50277161

Oc1ccc(\C=C\C(=O)c2cccnc2)cc1O

BDBM50279326

O=C(Nc1cc(cc2[nH]ncc12)-c1ccccc1)C1CC1

BDBM50279328

Oc1cccc(c1)-c1cc(NC(=O)C2CC2)c2cn[nH]c2c1

BDBM50279346

O=C(Nc1cc(cc2[nH]ncc12)-c1ccc2cc[nH]c2c1)c1ccccn1

BDBM8370

Oc1ccc(cc1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1

BDBM50279329

Oc1ccc(cc1)-c1cc(NC(=O)c2ccccn2)c2cn[nH]c2c1

BDBM50279344

Oc1cccc(c1)-c1cc(NC(=O)c2ccccn2)c2cn[nH]c2c1

BDBM50279347

O=C(Nc1cc(cc2[nH]ncc12)-c1cccc2[nH]ccc12)C1CC1

BDBM50279327

O=C(Nc1cc(cc2[nH]ncc12)-c1cccc2[nH]ccc12)c1ccccn1

BDBM50279345

Oc1ccc(cc1)-c1cc(NC(=O)C2CC2)c2cn[nH]c2c1

BDBM50279735

Clc1ccc2nc(nc(Nc3cc([nH]n3)C3CC3)c2c1)-c1cccc(c1)C#N

BDBM50279724

Clc1ccc2nc(nc(Nc3cc([nH]n3)C3CC3)c2c1)-c1ccc(cc1)C#N

BDBM50279733

N#Cc1cccc(c1)-c1nc(Nc2cc([nH]n2)C2CC2)c2ccccc2n1

BDBM50279742

N#Cc1ccc(cc1)-c1nc(Nc2cc([nH]n2)C2CC2)c2ccccc2n1

BDBM50291344

Fc1cc2CN(C=O)C(Cn3cc(C4=C(C(=O)NC4=O)c4cnc5ccccn45)c(c1)c23)N1CCCCC1 |t:13|

BDBM50291345

CN(C)C1Cn2cc(C3=C(C(=O)NC3=O)c3cnc4ccccn34)c3cccc(CN1C=O)c23 |t:8|

BDBM50291346

O=CN1Cc2cccc3c(cn(CC1N1CCOCC1)c23)C1=C(C(=O)NC1=O)c1cnc2ccccn12 |t:25|

BDBM50291365

Cc1ccc2ncc(C3=C(C(=O)NC3=O)c3cn4CC(N5CCCCC5)N(Cc5cccc3c45)C=O)n2c1 |t:8|

BDBM50291366

O=CN1Cc2cccc3c(cn(CC1N1CCCCC1)c23)C1=C(C(=O)NC1=O)c1cnc2ccccn12 |t:25|

BDBM50291367

CC(C)OC1Cn2cc(C3=C(C(=O)NC3=O)c3cnc4ccccn34)c3cccc(CN1C=O)c23 |t:9|

BDBM50291368

CCOC(=O)c1c2[S+]([O-])NC(=O)c2c(-c2ccc(NC(=O)CCN(C)C)cc2)c2c3ccccc3[nH]c12

BDBM50291369

CCNC(=O)c1nnn(c1CN1CCCCC1)-c1nonc1N

BDBM50147463

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

BDBM50147458

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

BDBM50308358

Fc1ccccc1\C=C1/SC(=O)NC1=O

BDBM50368608

Cn1c(\C=C2/SC(=O)NC2=O)nc2ccccc12

BDBM50368610

O=C1NC(=O)\C(S1)=C\c1ccco1

BDBM50249336

O=C1NC(=O)\C(S1)=C\c1c[nH]c2ccccc12

BDBM50274893

OC1=NC(=O)C(S1)=Cc1ccc2ccccc2c1 |w:7.8,t:1|

BDBM50368616

O=C1NC(=O)\C(S1)=C\c1cccnc1

BDBM50368617

COc1cc(\C=C2/SC(=O)NC2=O)cc2OCOc12

BDBM138378

O=C1NC(=O)\C(S1)=C\c1ccccc1OCc1ccccc1

BDBM50368618

CN(C)c1cccc(\C=C2/SC(=O)NC2=O)c1

BDBM50368619

COc1ccc(\C=C2/SC(=O)NC2=O)c(O)c1

BDBM50368620

O=C1NC(=O)\C(S1)=C\c1c2ccccc2cc2ccccc12

BDBM50368621

Oc1ccc(\C=C2/SC(=O)NC2=O)cc1[N+]([O-])=O

BDBM7781

CN1C(=O)N(C(=O)S1)Cc2ccccc2

BDBM50368622

COc1ccc2nc(Cl)c(\C=C3/SC(=O)NC3=O)cc2c1

BDBM50368623

Clc1nc2ccccc2cc1\C=C1/SC(=O)NC1=O

BDBM50368624

O=C1NC(=O)\C(S1)=C\c1ccc2OCCOc2c1

BDBM50368625

O=C1NC(=O)\C(S1)=C\c1ccc(cc1)-c1ccccc1

BDBM50368626

O=C1NC(=O)\C(S1)=C\c1c([nH]c2ccccc12)-c1ccccc1

BDBM50368627

COc1ccc2n(C)cc(\C=C3/SC(=O)NC3=O)c2c1

BDBM50368630

CN(C)c1ccc(\C=C\C=C2/SC(=O)NC2=O)cc1

BDBM50368646

O=C1NC(=O)\C(S1)=C\C=C\c1ccccc1

BDBM50368651

O=C1NC(=O)\C(S1)=C\c1cc2ccccc2s1

BDBM50368680

O=C1NC(=O)\C(S1)=C\c1cccs1

BDBM50198886

O=C1NC(=O)\C(S1)=C\c1ccncc1

BDBM50368681

O=C1NC(=O)\C(S1)=C\c1ccccn1

BDBM50368683

CN(C)c1ccc(\C=C2/SC(=O)NC2=O)cc1

BDBM50368684

Fc1ccc(\C=C2/SC(=O)NC2=O)cc1

BDBM50368686

Fc1cccc(\C=C2/SC(=O)NC2=O)c1

BDBM50213304

COc1cc(\C=C2/SC(=O)NC2=O)ccc1O

BDBM50368687

Oc1cccc(\C=C2/SC(=O)NC2=O)c1

BDBM50368688

Oc1ccccc1\C=C1/SC(=O)NC1=O

BDBM50359686

OC1=NC(=O)C(S1)=Cc1ccccc1 |w:7.8,t:1|

BDBM50368689

O=C1NC(=O)\C(S1)=C\c1cc2ccccc2o1

BDBM50368690

CN(C)c1ccccc1\C=C1/SC(=O)NC1=O

BDBM60579

Oc1ccc(\C=C2/SC(=O)NC2=O)cc1

BDBM50368691

COc1ccc2[nH]cc(\C=C3/SC(=O)NC3=O)c2c1

BDBM50452723

OC(=O)CCC(=O)N1N=C(CC1c1ccco1)c1c(O)nc2ccc(Cl)cc2c1-c1ccccc1 |c:8|

BDBM50452724

Cc1cc(Br)cc2\C(=N\NC(N)=S)C(=O)Nc12

BDBM50452725

COc1ccc(cc1)-n1cnc2ccc(cc12)-c1n[nH]c(=S)o1

BDBM50452726

Oc1ccccc1C(=O)N\N=C1/C(=O)Nc2ccccc12

BDBM50452727

O=C(Nc1[nH]nc2nnc(-c3ccccc3)c(-c3ccccc3)c12)Nc1ccccc1

BDBM50452728

COc1ccncc1NC(=O)c2ccnc(c2)NC(=O)C3CC3

BDBM50452729

CN(C)c1c2ccc(n1)CCCn3cc(c4c3cccc4)C5=C(c6cn(c7c6cccc7)CCCC2)C(=O)NC5=O

BDBM50452730

O=C1NC(=S)S\C1=C\c1ccccc1OCOc1ccccc1\C=C1/SC(=S)NC1=O

BDBM50452731

[O-][N+](=O)c1ccc(OCCOc2cccc(\C=C3/SC(=S)NC3=O)c2)cc1

BDBM50452732

Oc1ccc(cc1\C=C1/SC(=S)NC1=O)\N=N\c1ccccc1

BDBM50452736

Cc1cc2\C(=N\NC(N)=S)C(=O)Nc2cc1Br

BDBM50452737

Ic1ccc2NC(=O)\C(=C3/S\C(=N\c4ccccc4)N(C3=O)c3ccccc3)c2c1

BDBM50452739

Clc1ccc(\C=C2\SC(Nc3ccccc3Cl)=NC2=O)cc1 |c:17|

BDBM50452740

CSc1cc(nc2[nH]nc(N)c12)-c1ccccc1

BDBM50452741

O=C(COc1ccccc1)Nc1ccc(Oc2ccc3C(=O)NC(=O)c3c2)cc1

BDBM50452742

Nc1n[nH]c(Nc2ccccc2)c1-c1nc2ccccc2s1

BDBM50452743

OC(=O)c1ccc(NC2=C\C(=N\S(=O)(=O)c3ccc4ccccc4c3)c3ccccc3C2=O)cc1 |t:8|

BDBM50452746

Cc1cccc(OCCOc2cccc(\C=C3/SC(=S)NC3=O)c2)c1

BDBM50452747

Cc1ccc2NC(=O)\C(=N/NC(N)=S)c2c1Br

BDBM50452748

Oc1ccc(cc1)N1\C(S\C(C1=O)=C1/C(=O)Nc2ccccc12)=N/N=C1/C(=O)Nc2ccccc12

BDBM50452749

[O-][N+](=O)c1ccc(N\C=C2\N(C(=O)NC2=O)c2ccccc2)cc1

BDBM50452750

O=C1NC(=S)S\C1=C/c1cccc(OCCOc2ccccc2)c1

BDBM50452752

Oc1ccc(cc1)\N=C1/NC(=O)\C(S1)=C1\C(=O)Nc2ccc(Br)cc12

BDBM50384137

Fc1ccc(cc1)N1NC(=O)C(=Cc2cccc(OCc3ccccc3F)c2)C1=O |w:12.13|

BDBM50452753

OC(=O)c1ccc(N\C=C2\N(C(=O)NC2=O)c2ccccc2)cc1

BDBM50452755

Brc1ccc(OCCOc2cccc(\C=C3/SC(=S)NC3=O)c2)cc1

BDBM50386929

O=C(Nc1cccnc1)c1ccnc2nc([nH]c12)-c1ccsc1

BDBM50452757

[O-][N+](=O)c1ccc(CC(=O)N\N=C2/C(=O)Nc3cc(Br)ccc23)cc1

BDBM50452758

Clc1ccccc1\N=C1/NC(=O)\C(S1)=C/C=C/c1ccccc1

BDBM50456503

Fc1ccc(CN2C(=O)C(Oc3cc(F)ccc23)c2cccc3ccccc23)cc1

BDBM50456504

O=C1C(Sc2ccccc2-n2cccc12)c1cccc2ccccc12

BDBM50456506

Fc1ccc(CN2C(=O)C(Oc3cc(ccc23)N2CCOCC2)c2cccc3ccccc23)cc1

BDBM50456509

COc1ccc(CN2C(=O)C(Oc3ccccc23)c2cccc3ccccc23)cc1

BDBM50456505

O=C1Nc2cc3OCOc3c(Cc3ccccc3)c2OC1c1ccccc1

BDBM50456518

O=C1C(Oc2ccccc2N1Cc1ccccc1)c1cccc2ccccc12

BDBM50456519

Fc1ccc(CN2C(=O)C(Oc3ccccc23)c2cccc3ccccc23)cc1

BDBM50456520

Clc1ccc(CN2C(=O)C(Oc3ccccc23)c2cccc3ccccc23)cc1

BDBM50456512

Fc1ccc(CN2C(=O)C(Oc3ccccc23)c2ccc3ccccc3c2)cc1

BDBM50456521

O=C(N1CC(Oc2ccccc12)c1cccc2ccccc12)c1ccccc1

BDBM50456510

O=C1C(Oc2cc3OCOc3cc2N1Cc1ccccc1)c1cccc2ccccc12

BDBM50456513

Fc1ccc(CN2C(=O)C(Oc3cc4OCOc4cc23)c2cccc3ccccc23)cc1

BDBM50456514

CN1C(=O)C(Oc2cc3OCOc3cc12)c1cccc2ccccc12

BDBM50456516

CN1C(=O)C(Oc2cc3OCOc3cc12)c1ccccc1

BDBM50456508

CCN1C(=O)C(Oc2cc3OCOc3cc12)c1ccccc1

BDBM50456517

CC(=O)Oc1[nH]c2ccccc2c1-c1cccc2ccccc12 |(21.09,-29.04,;20.32,-27.71,;18.78,-27.71,;21.09,-26.38,;22.63,-26.38,;23.54,-27.62,;25,-27.15,;26.34,-27.92,;27.67,-27.15,;27.67,-25.61,;26.34,-24.84,;25,-25.61,;23.54,-25.13,;23.06,-23.66,;21.56,-23.34,;21.08,-21.88,;22.11,-20.74,;23.62,-21.06,;24.65,-19.91,;26.15,-20.23,;26.63,-21.7,;25.6,-22.84,;24.09,-22.52,)|

BDBM50456522

CCN(CC)C(=O)Oc1[nH]c2ccccc2c1-c1cccc2ccccc12 |(16.83,-29.44,;18.37,-29.47,;19.16,-28.15,;18.41,-26.8,;19.2,-25.48,;20.7,-28.17,;21.45,-29.52,;21.49,-26.85,;23.03,-26.87,;23.92,-28.13,;25.39,-27.68,;26.71,-28.47,;28.06,-27.72,;28.08,-26.18,;26.76,-25.39,;25.41,-26.14,;23.96,-25.64,;23.5,-24.17,;22,-23.83,;21.55,-22.36,;22.6,-21.23,;24.1,-21.57,;25.15,-20.44,;26.65,-20.79,;27.1,-22.26,;26.05,-23.39,;24.55,-23.04,)|

BDBM50456524

[O-][N+](=O)c1ccc(CN2C(=O)C(Oc3ccccc23)c2cccc3ccccc23)cc1

BDBM50456507

O=S(=O)(N1CC(Oc2ccccc12)c1cccc2ccccc12)c1ccccc1

BDBM50456523

CCN1C(=O)C(Oc2cc3OCOc3cc12)c1cccc2ccccc12

BDBM50456511

CC(=O)Oc1[nH]c2ccccc2c1-c1ccc(C)cc1

BDBM50456515

O=C1C(Oc2cc3OCOc3cc2N1Cc1ccccc1)c1ccc2ccccc2c1

BDBM50456525

Cc1ccc(CN2C(=O)C(Oc3ccccc23)c2cccc3ccccc23)cc1

BDBM50460772

Cc1cn2c(cnc2c(Nc2cc(ns2)C(NC(C)(C)C)c2ccccn2)n1)-c1cn[nH]c1

BDBM50460767

CCN(CCO)Cc1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1

BDBM50460773

Cc1cn2c(cnc2c(Nc2cc(Cc3ccccn3)ns2)n1)-c1cn[nH]c1

BDBM50460939

CC(C)Nc1ccc2cnn(c2c1)c3cncc(n3)c4ccc(cc4)C(=O)O

BDBM50462709

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

BDBM50462710

O=C(Cc1cccc(OCCCC2CCNCC2)c1)Nc1nc(cs1)-c1ccncc1

BDBM2683

CN(C)CCCn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12 |t:9|

BDBM3175

[H]/N=C(/N)\SCCCn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C

BDBM50463479

CS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncccc23)c1

BDBM50463484

CN1CCN(CCCOc2cccc(CC(=O)Nc3nc(cs3)-c3c[nH]c4ncccc34)c2)CC1

BDBM50463483

O=C(Cc1cccc(OCCCC2CCNCC2)c1)Nc1nc(cs1)-c1c[nH]c2ncccc12

BDBM50465052

[H][C@@]12CCc3cc(C)ccc3[C@@]1(C)CCC[C@]2(C)CO |r|

BDBM50465094

COc1nc(sc1C(=O)NCCCNc1c2CCCCc2nc2ccc(OC)cc12)-c1ccnc(NC(=O)C2CC2)c1

BDBM50465096

COc1nc(sc1C(=O)NCCCNc1c2CCCCc2nc2cc(Cl)ccc12)-c1ccnc(NC(=O)C2CC2)c1

BDBM50465100

COc1nc(sc1C(=O)NCCNc1c2CCCCc2nc2cc(Cl)ccc12)-c1ccnc(NC(=O)C2CC2)c1

BDBM50465097

COc1nc(sc1C(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12)-c1ccnc(NC(=O)C2CC2)c1

BDBM50465102

COC(=O)c1sc(nc1OCCNc1c2CCCCc2nc2ccccc12)-c1ccnc(NC(=O)C2CC2)c1

BDBM50465098

NC(=O)c1sc(nc1OCCNc1c2CCCCc2nc2ccccc12)-c1ccnc(NC(=O)C2CC2)c1

BDBM50465099

CCOC(=O)c1sc(nc1OCCNc1c2CCCCc2nc2ccccc12)-c1ccnc(NC(=O)C2CC2)c1

BDBM50465093

COc1nc(sc1C(=O)NCCNc1c2CCCCc2nc2ccccc12)-c1ccnc(NC(=O)C2CC2)c1

BDBM50465103

COc1nc(sc1C(=O)NCCNc1c2CCCCc2nc2ccc(OC)cc12)-c1ccnc(NC(=O)C2CC2)c1

BDBM50465095

OC(=O)c1sc(nc1OCCNc1c2CCCCc2nc2ccccc12)-c1ccnc(NC(=O)C2CC2)c1

BDBM50465101

COc1nc(sc1C(=O)NCCCNc1c2CCCCc2nc2ccccc12)-c1ccnc(NC(=O)C2CC2)c1

BDBM50467630

COc1cccc(OCc2cc(C)ccn2)c1-c1ccc2CCNCCc2c1

BDBM50469277

[O-][N+](=O)c1ccccc1CN1c2ccccc2SC(CC1=O)c1ccc(cc1)C(=O)NCc1ccccc1

BDBM50469278

[O-][N+](=O)c1ccccc1CN1c2ccccc2SC(CC1=O)c1ccc(cc1)C#N

BDBM50469279

Cc1ccc(CNC(=O)c2ccc(cc2)C2CC(=O)N(Cc3ccccc3[N+]([O-])=O)c3ccccc3S2)cc1

BDBM50469280

[O-][N+](=O)c1ccccc1CN1c2ccccc2SC(CC1=O)c1ccc(cc1)C(=O)Nc1ccccn1

BDBM50469281

[O-][N+](=O)c1ccccc1CN1c2ccccc2SC(CC1=O)c1ccc(cc1)C(=O)NCc1ccccc1F

BDBM50469282

CC(C)(C)NC(=O)c1ccc(cc1)C1CC(=O)N(Cc2ccccc2[N+]([O-])=O)c2ccccc2S1

BDBM50469283

CS(=O)(=O)c1cccc(c1)N1c2ccccc2SC(CC1=O)c1ccc(cc1)C(=O)NCc1cccc(Cl)c1

BDBM50469284

NC(=O)c1ccccc1CN1c2ccccc2SC(CC1=O)c1ccc(cc1)C(=O)NCc1ccccc1

BDBM50469285

CS(=O)(=O)Nc1ccccc1CN1c2ccccc2SC(CC1=O)c1ccc(cc1)C(=O)NCc1cccc(Cl)c1

BDBM50469286

COc1ccc(CNC(=O)c2ccc(cc2)C2CC(=O)N(Cc3ccccc3[N+]([O-])=O)c3ccccc3S2)cc1

BDBM50469287

[O-][N+](=O)c1ccccc1CN1c2ccccc2SC(CC1=O)c1ccc(cc1)C(=O)NCc1ccc(Br)cc1

BDBM50469288

[O-][N+](=O)c1ccccc1CN1c2ccccc2SC(CC1=O)c1ccc(cc1)C(=O)NCc1ccc(F)cc1

BDBM50469289

[O-][N+](=O)c1ccccc1CN1c2ccccc2SC(CC1=O)c1ccc(cc1)C(=O)NCc1cccc(F)c1

BDBM50469290

[O-][N+](=O)c1ccccc1CN1c2ccccc2SC(CC1=O)c1ccc(cc1)C(=O)NCCc1ccccc1

BDBM50469291

CN1CCN(CC1)NC(=O)c1ccc(cc1)C1CC(=O)N(Cc2ccccc2[N+]([O-])=O)c2ccccc2S1

BDBM50469292

[O-][N+](=O)c1ccccc1CN1c2ccccc2SC(CC1=O)c1ccc(cc1)C(=O)NN1CCCCC1

BDBM50469293

[O-][N+](=O)c1ccccc1CN1c2ccccc2SC(CC1=O)c1ccc(cc1)C(=O)NC1CC1

BDBM50469294

CCN(CC)C(=O)c1ccc(cc1)C1CC(=O)N(Cc2ccccc2[N+]([O-])=O)c2ccccc2S1

BDBM50469295

CCCCNC(=O)c1ccc(cc1)C1CC(=O)N(Cc2ccccc2[N+]([O-])=O)c2ccccc2S1

BDBM50469296

COC(=O)c1cccc(c1)C1CC(=O)N(Cc2ccccc2[N+]([O-])=O)c2ccccc2S1

BDBM50469297

COC(=O)c1ccc(cc1)C1CC(=O)N(Cc2ccccc2[N+]([O-])=O)c2ccccc2S1

BDBM50469298

[O-][N+](=O)c1ccccc1CN1c2ccccc2SC(CC1=O)c1ccc(cc1)-c1ccccc1

BDBM50428461

[O-][N+](=O)c1ccccc1CN1c2ccccc2SC(CC1=O)c1ccc(Cl)cc1

BDBM50469299

Clc1cccc(CNC(=O)c2ccc(cc2)C2CC(=O)Nc3ccccc3S2)c1

BDBM50469300

[O-][N+](=O)c1ccccc1CN1c2ccccc2SC(CC1=O)c1ccc(cc1)C(=O)NCc1ccco1

BDBM50469301

[O-][N+](=O)c1ccccc1CN1c2ccccc2SC(CC1=O)c1ccc(cc1)C(=O)NCc1ccc(Cl)cc1

BDBM50469302

[O-][N+](=O)c1ccccc1CN1c2ccccc2SC(CC1=O)c1ccc(cc1)C(=O)NCc1cccc(Cl)c1

BDBM50469303

[O-][N+](=O)c1ccccc1CN1c2ccccc2SC(CC1=O)c1ccc(cc1)C(=O)NCc1ccccn1

BDBM50469304

[O-][N+](=O)c1ccccc1CN1c2ccccc2SC(CC1=O)c1ccc(cc1)C(=O)NC1CCCCC1

BDBM50469305

COC(=O)c1ccccc1C1CC(=O)N(Cc2ccccc2[N+]([O-])=O)c2ccccc2S1

BDBM50469306

Cc1ccc(cc1)C1CC(=O)N(Cc2ccccc2[N+]([O-])=O)c2ccccc2S1

BDBM50428462

[O-][N+](=O)c1ccccc1CN1c2ccccc2SC(CC1=O)c1ccc(F)cc1

BDBM50150702

O=C(N1CCCCC1)N1CCn2cc(C3=C(C(=O)NC3=O)c3cnc4ccccn34)c3cccc(C1)c23 |t:15|

BDBM50474994

O=C(N1CCCCC1)N1CCn2cc(C3=C(C(=O)NC3=O)c3cnc4cccnn34)c3cccc(C1)c23 |t:15|

BDBM50150698

O=C(N1CCOCC1)N1CCn2cc(C3=C(C(=O)NC3=O)c3cnc4ccccn34)c3cccc(C1)c23 |t:15|

BDBM50475006

O=C(N1CCCCC1)N1CCn2cc(C3=C(C(=O)NC3=O)c3cnc4cnccn34)c3cccc(C1)c23 |t:15|

BDBM50150701

CN(C)C(=O)N1CCn2cc(C3=C(C(=O)NC3=O)c3cnc4ccccn34)c3cccc(C1)c23 |t:11|

BDBM50475010

O=C(N1CCOCC1)N1CCn2cc(C3=C(C(=O)NC3=O)c3cnc4ncccn34)c3cccc(C1)c23 |t:15|

BDBM50475016

O=C(N1CCOCC1)N1CCn2cc(C3=C(C(=O)NC3=O)c3cnc4cnccn34)c3cccc(C1)c23 |t:15|

BDBM50475001

CC(C)C(=O)N1CCn2cc(C3=C(C(=O)NC3=O)c3cnc4ccccn34)c3cccc(C1)c23 |t:11|

BDBM50475025

O=C(C1CCOCC1)N1CCn2cc(C3=C(C(=O)NC3=O)c3cnc4ccccn34)c3cccc(C1)c23 |t:15|

BDBM50475004

O=C(N1CCCCC1)N1CCn2cc(C3=C(C(=O)NC3=O)c3cnc4ncccn34)c3cccc(C1)c23 |t:15|

BDBM50475014

CC(=O)N1CCn2cc(C3=C(C(=O)NC3=O)c3cnc4ccccn34)c3cccc(C1)c23 |t:9|

BDBM50475028

CC(C)C(=O)N1CCn2cc(C3=C(C(=O)NC3=O)C3=CN=[N+]4C=CC=CC34)c3cccc(C1)c23 |c:23,25,t:11,19,21|

BDBM50475020

CN(C)C(=O)N1CCn2cc(C3=C(C(=O)NC3=O)c3ccn4ncccc34)c3cccc(C1)c23 |t:11|

BDBM50486280

CCOc1ccc(cc1-c1nc2ncccc2c(=O)[nH]1)S(=O)(=O)N1CCN(CC1)c1ccccc1

BDBM50486281

CCOC(=O)c1[nH]nc(c1\N=N\c1ccccc1)-c1ccc(F)cc1

BDBM50486287

CCOC(=O)c1[nH]nc(c1N)-c1ccc(Cl)cc1

BDBM50486282

CCOc1ccc(cc1-c1nc2ncccc2c(=O)[nH]1)S(=O)(=O)N1CCOCC1

BDBM50486285

O=c1[nH]cnc2c(n[nH]c12)-c1ccccc1

BDBM50486289

CCOC(=O)c1[nH]nc(c1N)-c1ccc(Br)cc1

BDBM50486286

O=C1NN=C(\C(=N\Nc2ccccc2)C1=O)c1ccccc1 |c:3|

BDBM50486290

CCOC(=O)C(=O)C(=N/Nc1ccccc1)\C(=O)c1ccc(Cl)cc1

BDBM50486284

Brc1ccc(cc1)-c1n[nH]c2c1nc[nH]c2=O

BDBM50486291

CCOC(=O)c1[nH]nc(c1\N=N\c1ccccc1)-c1ccc(Cl)cc1

BDBM50486288

CCOC(=O)C(=O)C(=N/Nc1ccccc1)\C(=O)c1ccccc1

BDBM50486283

Brc1ccc(cc1)C1=NNC(=O)C(=O)\C1=N/Nc1ccccc1 |t:8|

BDBM50325986

Nc1cccc(c1)-c1cc2c(Oc3cccc(O)c3)ncnc2[nH]1

BDBM50537522

Cc1c[nH]c(n1)-c1ncc(NCCNc2ccc(cc2)C#N)nc1-c1ccc(Cl)cc1Cl

BDBM50537523

NCCCn1cc(C2=C(C(=O)NC2=O)c2cccc3ccccc23)c2cccnc12 |t:7|

BDBM50147473

OCCCn1cc(C2=C(C(=O)NC2=O)c2ccccc2Cl)c2cccnc12 |t:7|

BDBM50147461

OCCCn1cc(C2=C(C(=O)NC2=O)c2ccccc2C(F)(F)F)c2cccnc12 |t:7|

BDBM50147472

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

BDBM50147467

CN(C)CCCn1cc(C2=C(C(=O)NC2=O)c2cccc3ccccc23)c2cccnc12 |t:9|

BDBM50537524

FC(F)(F)c1nc2ccccc2n1Cc1nnc(SCC(=O)Nc2ccccc2)o1

BDBM50537525

Fc1ccc(NC(=O)CSc2nnc(Cn3c(nc4ccccc34)C(F)(F)F)o2)cc1

BDBM50537526

CCCCCCCCCCCCCCCC(=O)NC1CCN(CC1)C(=O)C1Sc2ccccc2N(CC)C1=O

BDBM50537527

CCCCCCCCCCCCCCC(=O)NC1CCN(CC1)C(=O)C1Sc2ccccc2N(CC)C1=O

BDBM50537528

CCCCCCCCCCCC(=O)N1CCN(CC1)C(=O)C1Sc2ccccc2N(CC)C1=O

BDBM50537529

CCCCCCCCCCCCCC(=O)N1CCN(CC1)C(=O)C1Sc2ccccc2N(CC)C1=O

BDBM50537530

CCCCCCCCCCCCCCCC(=O)N1CCN(CC1)C(=O)C1Sc2ccccc2N(CC)C1=O

BDBM50537531

CCc1ccc(cc1)-n1cc(CSC2=NC(CC(=O)N2C)c2ccccc2)nn1 |t:14|

BDBM50537532

CN1C(=O)CC(N=C1SCc1cn(nn1)-c1ccccc1F)c1ccccc1 |c:6|

BDBM50537533

CN1C(=O)CC(N=C1SCc1cn(nn1)-c1ccc(C)c(C)c1)c1ccccc1 |c:6|

BDBM50537534

CN1C(=O)CC(N=C1SCc1cn(nn1)-c1cccc(c1)[N+]([O-])=O)c1ccccc1 |c:6|

BDBM50537535

CN1C(=O)CC(N=C1SCc1cn(nn1)-c1ccccc1)c1ccccc1 |c:6|

BDBM50537536

CN1C(=O)CC(N=C1SCc1cn(nn1)-c1ccc(cc1)C(C)(C)C)c1ccccc1 |c:6|

BDBM50537537

COc1ccccc1-n1cc(CSC2=NC(CC(=O)N2C)c2ccccc2)nn1 |t:14|

BDBM50537538

COc1ccc(NC(=O)c2ccc(NC3=C(C(=O)NC3=O)c3ccc(OC)cc3)cc2)cc1 |t:14|

BDBM50537539

COc1ccc(NC(=O)c2ccc(NC3=C(C(=O)NC3=O)c3ccccc3)cc2)cc1 |t:14|

BDBM50537540

COc1ccc(cc1)C1=C(Nc2ccc(cc2)C(=O)Nc2ccccc2)C(=O)NC1=O |c:9|

BDBM50537541

COc1ccc(cc1)C1=C(Nc2ccc(cc2)C(=O)Nc2ccc(Cl)cc2)C(=O)NC1=O |c:9|

BDBM50537542

O=C(Nc1ccccc1)c1ccc(NC2=C(C(=O)NC2=O)c2ccccc2)cc1 |t:15|

BDBM50537543

FC(F)(F)c1nc2ccccc2n1Cc1nnc(SCc2cn(nn2)-c2cccnc2)o1

BDBM50537544

Fc1ccccc1-n1cc(CSc2nnc(Cn3c(nc4ccccc34)C(F)(F)F)o2)nn1

BDBM50537545

FC(F)(F)c1nc2ccccc2n1Cc1nnc(SCc2cn(nn2)-c2ccccc2)o1

BDBM50537546

CCc1ccc(cc1)-n1cc(CSc2nnc(Cn3c(nc4ccccc34)C(F)(F)F)o2)nn1

BDBM50537547

CC(C)n1cc(C2=C(C(=O)NC2=O)c2cccc(NC(=O)CF)c2)c2cccnc12 |t:6|

BDBM50537548

CC(C)n1cc(C2=C(C(=O)NC2=O)c2cccc(NC(=O)C=C)c2)c2cccnc12 |t:6|

BDBM50537549

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

BDBM50537550

Cn1cc(C2=C(C(=O)NC2=O)c2cccc(NC(=O)C=C)c2)c2ccc(F)cc12 |t:4|

BDBM50537551

COc1ccc2c(cn(C)c2c1)C1=C(C(=O)NC1=O)c1cccc(NC(=O)C=C)c1 |t:14|

BDBM50537552

COc1ccc(cc1OC)-c1cc(=O)c2c(OC)c([C@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(=O)N[C@@H](C)C(F)(F)F)c(OC)cc2o1 |r|

BDBM50537553

COc1ccc(cc1OC)-c1cc(=O)c2c(OC)c([C@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(=O)N[C@H](C)C(F)(F)F)c(OC)cc2o1 |r|

BDBM50537554

COc1ccc(cc1OC)-c1cc(=O)c2c(OC)c([C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)cc2o1 |r|

BDBM50537555

COc1ccc(cc1OC)-c1cc(=O)c2c(OC)c([C@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)c(OC)cc2o1 |r|

BDBM50145906

COc1ccc(\C=C\C(\O)=C\C(=O)\C=C\c2ccc(OC)cc2)cc1

BDBM50537556

COc1ccc(\C=C\C(\O)=C\C(=O)\C=C\c2ccc(OCc3ccccc3)cc2)cc1OC

BDBM50145916

O\C(\C=C\c1ccc(OCc2cccc(F)c2)cc1)=C/C(=O)/C=C/c1ccc(OCc2cccc(F)c2)cc1

BDBM50537557

Cc1ccc2[nH]nc(C(=O)NCC3CCN(CC3)C(=O)Nc3ccccc3)c2c1

BDBM50219326

CN(C)CCNC(=O)c1ccc(\C=N\Nc2ncnc3n(ncc23)-c2cccc3[nH]cnc23)cc1

BDBM50133057

O=C1NC(=O)C2=C1c1cn(CCOCCOCCOCCn3cc2c2ccccc32)c2ccccc12 |c:5|

BDBM50133059

O=C1NC(=O)C2=C1c1cn(CCOCCOCCOCCn3cc2c2cccnc32)c2ccccc12 |c:5|

BDBM50487410

CC(=O)NC1=NC(=O)\C(N1)=C1/CCNC(=O)c2c1cc(Br)n2C(C)=O |t:4|

BDBM50012187

O\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2ccc(Br)cc12

BDBM50475007

O=C(N1CCOCC1)N1CCn2cc(C3=C(C(=O)NC3=O)c3cncc4ccoc34)c3cccc(C1)c23 |t:15|

BDBM50487411

CN1CCN(C(=O)C1)c1cnc(NCCNc2ccc(c(N)n2)[N+]([O-])=O)nc1-c1ccc(Cl)cc1Cl

BDBM50219327

COc1cccc(c1)-n1ncc2c(N\N=C\c3ccc(cc3)S(C)(=O)=O)ncnc12

BDBM50487412

CC(=O)O\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2cc(Cl)c(Cl)cc12

BDBM23418

COc1ccc(cc1O)[C@@H]2CC(=O)c3c(cc(cc3O2)O)O

BDBM61776

COc1ccc(cc1O)[C@@H]1CC(=O)c2c(O)cc(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)cc2O1

BDBM23419

Oc1ccc(cc1)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1 |r|

BDBM50241582

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2Oc3cc(c4c(c3)O[C@@H](CC4=O)c5ccc(cc5)O)O)CO)O)O)O)O)O

BDBM50489130

C(CN1CCOCC1)Nc1nc2ccccc2c2[nH]c3ccccc3c12

BDBM50489132

Cc1ccc(cc1)-c1c[nH]c(n1)C1COCCN1Cc1c[nH]c2ccccc12

BDBM50489127

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

BDBM50491919

Fc1cc2CN(CCn3cc(C4=C(C(=O)NC4=O)c4coc5ccccc45)c(c1)c23)C(=O)N1CCOCC1 |t:11|

BDBM50491920

Fc1cc2CNCCn3cc(C4=C(C(=O)NC4=O)c4coc5ccccc45)c(c1)c23 |t:11|

BDBM50491921

COCCc1cccc2c(cn(CCOC)c12)C1=C(C(=O)NC1=O)c1coc2ccccc12 |t:19|

BDBM50491922

Cn1cc(C2=C(C(=O)NC2=O)c2coc3ccccc23)c2cccc(CCOC(C)(C)C)c12 |t:4|

BDBM50491923

COCCc1cccc2c(cn(C)c12)C1=C(C(=O)NC1=O)c1coc2ccccc12 |t:16|

BDBM50491924

Cn1cc(C2=C(C(=O)NC2=O)c2cnc3ccccn23)c2cc3OCOc3cc12 |t:4|

BDBM50491925

COc1cc2c(cn(C)c2cn1)C1=C(C(=O)NC1=O)c1coc2ccccc12 |t:14|

BDBM50491926

COCCn1cc(C2=C(C(=O)NC2=O)c2coc3ccccc23)c2cc(Br)cnc12 |t:7|

BDBM50491927

COCCn1cc(C2=C(C(=O)NC2=O)c2coc3ccccc23)c2cc(F)c(F)cc12 |t:7|

BDBM50491928

CNCCCn1cc(C2=C(C(=O)NC2=O)c2coc3ccccc23)c2cc(F)ccc12 |t:8|

BDBM50491929

CNCCCn1cc(C2=C(C(=O)NC2=O)c2coc3ccccc23)c2cc(Br)ccc12 |t:8|

BDBM50491930

NCCn1cc(C2=C(C(=O)NC2=O)c2coc3ccccc23)c2cc(Br)ccc12 |t:6|

BDBM50491931

OCCn1cc(C2=C(C(=O)NC2=O)c2coc3ccccc23)c2cc(F)ccc12 |t:6|

BDBM50491932

OCCn1cc(C2=C(C(=O)NC2=O)c2coc3ccccc23)c2cc(Br)ccc12 |t:6|

BDBM50491933

Cn1cc(C2=C(C(=O)NC2=O)c2coc3ccccc23)c2cc(Br)cnc12 |t:4|

BDBM50491934

COCCn1cc(C2=C(C(=O)NC2=O)c2coc3ccccc23)c2cc(OC)ncc12 |t:7|

BDBM50491935

COCCn1cc(C2=C(C(=O)NC2=O)c2coc3ccccc23)c2ccccc12 |t:7|

BDBM50491936

Brc1cc2CNCCn3cc(C4=C(C(=O)NC4=O)c4coc5ccccc45)c(c1)c23 |t:11|

BDBM50491937

O=C(N1CCn2cc(C3=C(C(=O)NC3=O)c3coc4ccccc34)c3cccc(C1)c23)c1cnccn1 |t:8|

BDBM50491938

COCCn1cc(C2=C(C(=O)NC2=O)c2coc3ccccc23)c2cccnc12 |t:7|

BDBM50491939

OCCCn1cc(C2=C(C(=O)NC2=O)c2coc3ccccc23)c2cc(F)ccc12 |t:7|

BDBM50491940

Fc1cc2CN(CCn3cc(C4=C(C(=O)NC4=O)c4coc5ccccc45)c(c1)c23)C(=O)N1CCCCC1 |t:11|

BDBM50475017

O=C1NC(=O)C(=C1c1coc2ccccc12)c1cn2CCNCc3cccc1c23 |c:5|

BDBM50491941

Cn1cc(C2=C(C(=O)NC2=O)c2cnc3ccccn23)c2cc(Br)ccc12 |t:4|

BDBM50491942

COCCn1cc(C2=C(C(=O)NC2=O)c2coc3ccccc23)c2cc(F)ccc12 |t:7|

BDBM50491943

NCCn1cc(C2=C(C(=O)NC2=O)c2coc3ccccc23)c2cc(F)ccc12 |t:6|

BDBM50267605

Cn1cc(C2=C(C(=O)NC2=O)c2coc3ccccc23)c2cc(Br)ccc12 |t:4|

BDBM50491944

O=C(Cc1ccncc1)N1CCn2cc(C3=C(C(=O)NC3=O)c3coc4ccccc34)c3cccc(C1)c23 |t:16|

BDBM50491945

COCCn1cc(C2=C(C(=O)NC2=O)c2coc3ccccc23)c2cc(Br)ccc12 |t:7|

BDBM50491946

Fc1cc2CN(CCn3cc(C4=C(C(=O)NC4=O)c4coc5ccccc45)c(c1)c23)C(=O)N1CCC(CC1)N1CCCCC1 |t:11|

BDBM50491947

Cn1cc(C2=C(C(=O)NC2=O)c2coc3ccccc23)c2cccnc12 |t:4|

BDBM50494521

CCCn1c(CCCc2ccccc2)nc(cc1=O)-c1ccncc1

BDBM50494522

O=c1cc(nc(CCCc2ccccc2)[nH]1)-c1ccncc1

BDBM50494523

CCCCc1nc(cc(=O)[nH]1)-c1ccncc1

BDBM50494524

O=c1cc(nc(CCc2ccccc2)[nH]1)-c1ccncc1

BDBM50494525

O=c1cc(nc(Cc2ccccc2)[nH]1)-c1ccncc1

BDBM50494526

O=c1cc(nc([nH]1)-c1ccccc1)-c1ccncc1

BDBM50494527

Cc1nc(cc(=O)[nH]1)-c1ccncc1

BDBM50494528

Cc1cccc(c1)C(=O)CNc1nc(cc(=O)n1C)-c1ccncc1

BDBM50494529

Cn1c(NCC(=O)c2cccc(Cl)c2)nc(cc1=O)-c1ccncc1

BDBM50494530

Cn1c(NCC(=O)c2ccc(F)cc2)nc(cc1=O)-c1ccncc1

BDBM50494531

Cn1c(nc(cc1=O)-c1ccncc1)N(CCCCN)CCc1ccccc1

BDBM50494532

Cn1c(NCC(O)c2ccccc2)nc(cc1=O)-c1ccncc1

BDBM50494533

Cn1c(NCCc2ccccc2)nc(cc1=O)-c1ccncc1

BDBM50494534

CCn1c(CCCc2ccccc2)nc(cc1=O)-c1ccncc1

BDBM50494535

Cn1c(CCCc2ccccc2)nc(cc1=O)-c1ccncc1

BDBM50494536

Cn1c(NCC(=O)c2cccc(F)c2)nc(cc1=O)-c1ccncc1

BDBM50443870

Cn1c(NCC(=O)c2ccccc2)nc(cc1=O)-c1ccncc1

BDBM50494537

O=c1cc(nc(CCCc2ccccc2)n1Cc1ccccc1)-c1ccncc1

BDBM50494538

CC(C)Cc1nc(cc(=O)[nH]1)-c1ccncc1

BDBM50494539

Cn1c(NCC(=O)c2cccc(c2)C#N)nc(cc1=O)-c1ccncc1

BDBM50494540

Cn1c(NCCC2CCCCC2)nc(cc1=O)-c1ccncc1

BDBM50494541

Cn1c(nc(cc1=O)-c1ccncc1)N(CCCCCN)CCc1ccccc1

BDBM26979

[Cl-]

BDBM50494543

CC(C)c1nc(cc(=O)[nH]1)-c1ccncc1

BDBM50494544

Cn1c(NCC(=O)c2ccccc2F)nc(cc1=O)-c1ccncc1

BDBM50496456

O\C=c1/c2ccccc2[nH]/c/1=C1\C(=O)Nc2cc(Br)ccc12

BDBM50371955

OCCCn1cc(C2=C(C(=O)NC2=O)c2cnccn2)c2cccnc12 |t:7|

BDBM199250

Oc1cccc(CNC(=O)Nc2nc(cs2)-c2ccncc2)c1

BDBM50499153

COc1cc2CCN(CC(=O)Nc3ccc4NC(=O)\C(=C/c5cnc[nH]5)c4c3)Cc2cc1OC

BDBM50499279

COc1ccc2C(=O)\C(Oc2c1C(C)N1CCNCC1)=C\c1n[nH]c2ncccc12

BDBM50499634

OC(=O)C1CN(Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C1

BDBM106870

C[C@@H]1C[C@H](N)C[C@@H](C1)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:6.8,3.3,1.0,(-.67,2.69,;-2,1.93,;-3.33,2.69,;-4.67,1.93,;-6,2.69,;-4.67,.38,;-3.33,-.38,;-2,.38,;-3.33,-1.93,;-4.67,-2.69,;-4.67,-4.23,;-3.33,-5,;-2,-4.23,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;.67,-4.23,;2,-1.93,;3.33,-2.69,;4.67,-1.93,;4.67,-.38,;6,.38,;3.33,.38,;2,-.38,;3.33,1.93,;4.67,2.69,;6,1.93,;4.67,4.23,;3.33,5,;2,4.23,;2,2.69,;.67,1.93,)|

BDBM50502994

Cc1nc(c([nH]1)-c1ccnc(NC(=O)C2CC2)c1)-c1ccc(F)c(F)c1

BDBM50502995

Cc1nc(c([nH]1)-c1ccnc(NC(=O)CCn2cncn2)c1)-c1ccc(F)cc1

BDBM50502992

NC(=O)c1nc(c([nH]1)-c1ccnc(NC(=O)C2CC2)c1)-c1ccc(F)cc1

BDBM50502996

OCc1nc(c([nH]1)-c1ccnc(NC(=O)C2CC2)c1)-c1ccc(F)cc1

BDBM50502999

Cc1nc(c([nH]1)-c1ccnc(NC(=O)C2CC2)c1)-c1ccccc1O

BDBM50502997

Cc1nc(c([nH]1)-c1ccnc(NC(=O)C2CC2)c1)-c1cccc(O)c1

BDBM50503000

Cc1nc(-c2ccco2)c([nH]1)-c1ccnc(NC(=O)C2CC2)c1

BDBM50503001

COc1ccccc1-c1nc(C)[nH]c1-c1ccnc(NC(=O)C2CC2)c1

BDBM50503002

Cc1nc(c([nH]1)-c1ccnc(NC(=O)C2CC2)c1)-c1cncnc1

BDBM50502998

Cc1nc(C2CCC2)c([nH]1)-c1ccnc(NC(=O)C2CC2)c1

BDBM50503003

Cc1nc(C2CCCC2)c([nH]1)-c1ccnc(NC(=O)C2CC2)c1

BDBM50503004

Cc1nc(c([nH]1)-c1ccnc(NC(=O)C2CC2)c1)-c1ccc2OCOc2c1

BDBM50503005

Cc1nc(c([nH]1)-c1ccnc(NC(=O)CCn2cnnn2)c1)-c1ccc(F)cc1

BDBM50503006

Cc1nc(c([nH]1)-c1ccnc(NC(=O)CCn2cncn2)c1)-c1ccccc1

BDBM50503007

CCOC(=O)c1ncc([nH]1)-c1ccnc(NC(=O)C2CC2)c1

BDBM50503008

CCOC(=O)c1nc(c([nH]1)-c1ccnc(NC(=O)C2CC2)c1)-c1ccc(F)cc1

BDBM50503009

NC(=O)c1nc(C2CCCCC2)c([nH]1)-c1ccnc(NC(=O)C2CC2)c1

BDBM50503010

NC(=O)c1nc(c([nH]1)-c1ccnc(NC(=O)C2CC2)c1)-c1ccccc1O

BDBM50503011

NC(=O)c1nc(c([nH]1)-c1ccnc(NC(=O)C2CC2)c1)-c1ccc(F)c(c1)C(F)(F)F

BDBM50503012

NC(=O)c1nc(c([nH]1)-c1ccnc(NC(=O)C2CC2)c1)-c1cccc(OC(F)(F)F)c1

BDBM50502993

NC(=O)c1ncc([nH]1)-c1cc(NC(=O)C2CC2)ncc1Br

BDBM50503019

CC(=O)Nc1cc(ccn1)-c1[nH]c(nc1-c1ccc(F)cc1)C(N)=O

BDBM50503020

Cc1nc(c([nH]1)-c1ccnc(NC(=O)C2CC2)c1)-c1ccc(O)cc1

BDBM50503021

Cc1nc(C2CCCCC2)c([nH]1)-c1ccnc(NC(=O)C2CC2)c1

BDBM50503013

Cc1nc(c([nH]1)-c1ccnc(NC(=O)C2CC2)c1)-c1ccc2ccccc2c1

BDBM50503016

NC(=O)c1ncc([nH]1)-c1ccnc(NC(=O)C2CC2)c1

BDBM50503022

Cc1nc([nH]c1-c1ccnc(NC(=O)C2CC2)c1)C(N)=O

BDBM50503023

Cc1nc(-c2cccs2)c([nH]1)-c1ccnc(NC(=O)C2CC2)c1

BDBM50503014

Cc1nc(C2CC2)c([nH]1)-c1ccnc(NC(=O)C2CC2)c1

BDBM50503015

Cc1nc(c([nH]1)-c1ccnc(NC(=O)C2CC2)c1)-c1ccc(F)c(C)c1

BDBM50503024

Cc1nc(c([nH]1)-c1ccnc(NC(=O)CCn2cnnn2)c1)-c1ccccc1

BDBM50503017

NC(=O)c1nc(C2CC2)c([nH]1)-c1ccnc(NC(=O)C2CC2)c1

BDBM50503018

COc1ccccc1-c1nc([nH]c1-c1ccnc(NC(=O)C2CC2)c1)C(N)=O

BDBM110706

Cn1ncc(NC(=O)c2nc(sc2N)-c2c(F)cccc2F)c1N1CC[C@@H](N)[C@H](F)CC1 |r|

BDBM50505542

[H][C@]12C[C@H]([C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)CCOCCOCCOCCNC(=O)CCC1=[N+]2C(C=C1)=Cc1c(C)cc(C)n1[B-]2(F)F |r,c:63,65,t:60|

BDBM50505541

[H][C@]12C[C@@H](NCCOCCOCCOCCNC(=O)CCC3=[N+]4C(C=C3)=Cc3c(C)cc(C)n3[B-]4(F)F)[C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r,c:24,26,t:21|

BDBM50506295

COc1cc(Nc2nccc(n2)-c2cnn3ncccc23)cc(OC)c1

BDBM50508883

Cc1c(C)c(ccc1-c1ccc(\C=C2\SC(=N)NC2=O)o1)[N+]([O-])=O

BDBM50508884

C(Sc1nnc(o1)-c1ccncc1)c1nc(no1)-c1ccccc1

BDBM50508888

Cc1ccc(-c2ccc(\C=C3\NC(=S)NC3=O)o2)c(Br)c1

BDBM50150699

c1ccn2c(c1)ncc2C3=C(C(=O)NC3=O)c4cn5c6c4cc(cc6CN(CC5)C(=O)N7CCCCC7)F

BDBM50508901

CN1C(=N)NC(=O)\C1=C/c1ccc(o1)-c1ccc(F)cc1

BDBM50508886

NC1=NC(=O)\C(S1)=C/c1ccc(o1)-c1ccccc1[N+]([O-])=O |t:1|

BDBM50508902

Clc1cccc(c1)-c1ccc(\C=C2\SC(=N)NC2=O)o1

BDBM50508896

CC(=O)\N=C1\NC(=O)\C(S1)=C/c1ccc(o1)-c1ccc(cc1)C(O)=O

BDBM50508887

Clc1ccc(-c2ccc(\C=C3\SC(=N)NC3=O)o2)c(Cl)c1

BDBM50508903

Cc1ccc(-c2ccc(\C=C3\SC(=N)NC3=O)o2)c(c1)[N+]([O-])=O

BDBM50508897

[O-][N+](=O)c1ccc(Cl)c(c1)-c1ccc(\C=C2\SC(=N)NC2=O)o1

BDBM50508904

OC(=O)c1cccc(c1)-c1ccc(\C=C2\NC(=S)NC2=O)o1

BDBM50508898

OC(=O)c1ccc(cc1)-c1ccc(\C=C2\NC(=S)NC2=O)o1

BDBM50508905

Cc1ccc(cc1Cl)-c1ccc(\C=C2\NC(=S)NC2=O)o1

BDBM50508906

Clc1ccc(cc1Cl)-c1ccc(\C=C2\NC(=S)NC2=O)o1

BDBM50508907

CCCCOC(=O)c1cc(ccc1Cl)-c1ccc(\C=C2\NC(=S)NC2=O)o1

BDBM50508909

Clc1ccc(cc1Cl)-c1ccc(\C=C2\SC(=N)NC2=O)o1

BDBM50508895

OC(=O)c1cccc(c1)-c1ccc(\C=C2\SC(=N)NC2=O)o1

BDBM50508908

Cc1ccc(cc1Cl)-c1ccc(\C=C2\SC(=N)NC2=O)o1

BDBM50508899

[O-][N+](=O)c1ccc(cc1)-c1ccc(\C=C2\NC(=S)NC2=O)o1

BDBM50508911

CCCOC(=O)c1cc(ccc1Cl)-c1ccc(\C=C2\NC(=S)NC2=O)o1

BDBM50508912

Clc1ccccc1-c1ccc(\C=C2\SC(=N)NC2=O)o1

BDBM50508910

Clc1ccccc1-c1ccc(\C=C2\NC(=S)NC2=O)o1

BDBM50508900

Clc1ccc(cc1C(=O)OCC=C)-c1ccc(\C=C2\NC(=S)NC2=O)o1

BDBM50508894

[O-][N+](=O)c1cccc(c1)-c1ccc(\C=C2\SC(=N)NC2=O)o1

BDBM50510138

Nc1ncc(cc1NC(=O)c1ccnc(NC(=O)C2CC2)c1)-c1ccncc1

BDBM50510139

Nc1nccc(-c2ccc(F)cc2)c1\N=C\c1ccnc(NC(=O)C2CC2)c1

BDBM50510140

Cc1ccc(cc1)-c1ccnc(N)c1\N=C\c1ccnc(NC(=O)C2CC2)c1

BDBM50510141

Nc1nccc(-c2ccccc2)c1\N=C\c1ccnc(NC(=O)C2CC2)c1

BDBM50510142

Nc1ncc(cc1\N=C\c1ccnc(NC(=O)C2CC2)c1)-c1ccc(F)cc1

BDBM50510143

Cc1csc(c1)-c1cnc(N)c(c1)\N=C\c1ccnc(NC(=O)C2CC2)c1

BDBM50510144

Nc1ncc(cc1\N=C\c1ccnc(NC(=O)C2CC2)c1)-c1ccccc1

BDBM50510145

Nc1ncccc1\N=C\c1ccnc(NC(=O)C2CC2)c1

BDBM50510146

Cc1csc(c1)-c1cnc(N)c(NC(=O)c2ccnc(NC(=O)C3CC3)c2)c1

BDBM50510147

Nc1ncccc1NC(=O)c1ccnc(NC(=O)C2CC2)c1

BDBM50510148

Cc1ccc(cc1)-c1cnc(N)c(c1)\N=C\c1ccnc(NC(=O)C2CC2)c1

BDBM50510149

Nc1ncc(cc1NC(=O)c1ccnc(NC(=O)C2CC2)c1)-c1ccccc1

BDBM50510150

Cc1ccc(cc1)-c1cnc(N)c(NC(=O)c2ccnc(NC(=O)C3CC3)c2)c1

BDBM50510151

Nc1nccc(-c2ccc(Cl)cc2)c1\N=C\c1ccnc(NC(=O)C2CC2)c1

BDBM50510152

Nc1ncc(cc1\N=C\c1ccnc(NC(=O)C2CC2)c1)-c1ccncc1

BDBM50510153

Nc1ncc(cc1NC(=O)c1ccnc(NC(=O)C2CC2)c1)-c1ccc(F)cc1

BDBM50510154

Nc1nccc(-c2cccc(F)c2)c1\N=C\c1ccnc(NC(=O)C2CC2)c1

BDBM7534

Nc1n[nH]c2nc3ccccc3nc12

BDBM50513181

CC(C)S(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1cc(no1)-c1ccccc1

BDBM50513175

CC(C)S(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1cc(on1)-c1ccccc1

BDBM420609

CC(C)S(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1nnc(o1)-c1ccccc1

BDBM350085

CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(cc1)S(=O)(=O)C(C)C

BDBM50145909

COc1cc(\C=C\C(\O)=C\C(=O)\C=C\c2ccc(OCc3ccccc3)cc2)ccc1O

BDBM50518788

Cc1c(nnn1-c1ccccc1C)C(=O)Nc1ccc2ccccc2n1

BDBM50519662

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

BDBM50521216

CS(=O)(=O)Nc1cc(cnc1Cl)-c1ccncc1

BDBM50134399

O=c1[nH]c2[nH]ccc2c(=O)[nH]1

BDBM50523716

COc1ccc(CNC(=O)Nc2nc3ccc(cc3s2)C(=O)C#C)cc1

BDBM50523717

COc1ccc(CNC(=O)Nc2nc3ccc(NC(=O)C=C)cc3[nH]2)cc1

BDBM50523718

COc1ccc(CNC(=O)Nc2nc3ccc(cc3[nH]2)C(=O)C#C)cc1

BDBM50523719

COc1ccc(CNC(=O)Nc2nc3ccc(cc3[nH]2)C(=O)CBr)cc1

BDBM50523720

COc1ccc(CNC(=O)Nc2nc3ccc(NC(=O)C=C)cc3s2)cc1

BDBM50523721

COc1ccc(CNC(=O)Nc2nc3ccc(cc3s2)C(=O)C=C)cc1

BDBM50523722

COc1ccc(CNC(=O)Nc2nc3ccc(cc3s2)C#N)cc1

BDBM50523723

COc1ccc(CNC(=O)Nc2nc3ccc(cc3[nH]2)C(=O)C=C)cc1

BDBM50523724

COc1ccc(CNC(=O)Nc2nc3ccc(cc3[nH]2)C(C)=O)cc1

BDBM50523725

COc1ccc(CNC(=O)Nc2nc3ccc(cc3s2)C(C)=O)cc1

BDBM50523726

COc1ccc(CNC(=O)Nc2nc3ccc(cc3[nH]2)C#N)cc1

BDBM50523727

COc1ccc(CNC(=O)Nc2nc3ccc(cc3s2)C(=O)CBr)cc1

BDBM50523803

COc1cc(\C=C2/C(=O)Nc3ccc(NC(C)=O)cc23)cc(OC)c1OC

BDBM50523804

Brc1ccc2NC(=O)C(=Cc3cccs3)c2c1

BDBM50523805

Cc1ccc(cc1)C(=O)CC1(O)C(=O)Nc2ccc(Nc3ccco3)cc12

BDBM50523806

CCC(=O)Nc1cc2c(NC(=O)C2(CC#N)OC(=O)CC)c(NC(=O)CC)c1

BDBM50523807

COC(=O)Nc1ccc2NC(=O)C(=Cc3ccc(cc3)[N+]([O-])=O)c2c1

BDBM50523808

COC(=O)Nc1ccc2NC(=O)\C(=C/c3ccc(O)cc3)c2c1

BDBM50523809

CC(=O)Nc1ccc2NC(=O)\C(=C/c3cccc(O)c3)c2c1

BDBM50523810

Brc1ccc(C=C2C(=O)Nc3ccc(Br)cc23)cc1

BDBM50523811

O=C1Nc2ccccc2\C1=C\c1ccccn1

BDBM50523812

O=C1Nc2ccccc2C1=Cc1ccncc1

BDBM50523813

O=C1Nc2ccccc2\C1=C\c1cccs1

BDBM50431816

O=C1Nc2ccccc2\C1=C\c1ccco1

BDBM50523814

Brc1ccc2NC(=O)C(=Cc3cccnc3)c2c1

BDBM50523815

Brc1ccc2NC(=O)C(=Cc3ccco3)c2c1

BDBM50523816

[O-][N+](=O)c1ccc2NC(=O)C(=Cc3cccnc3)c2c1

BDBM50523817

[O-][N+](=O)c1ccc2NC(=O)C(=Cc3ccncc3)c2c1

BDBM50523818

[O-][N+](=O)c1ccc2NC(=O)\C(=C/c3ccco3)c2c1

BDBM50523819

Cc1ccc(cc1)C(=O)CC1(O)C(=O)Nc2ccc(Br)cc12

BDBM50523820

COc1ccc(cc1)C(=O)CC1(O)C(=O)Nc2ccc(Br)cc12

BDBM50523821

Cc1ccc(cc1)C(=O)CC1(O)C(=O)Nc2ccccc12

BDBM50523822

OC1(CC#N)C(=O)Nc2ccc(NC(=O)c3ccccc3)cc12

BDBM50523823

COc1ccc2N(Cc3ccccc3)C(=O)\C(=C/C#N)c2c1

BDBM50523824

COc1cc2c(NC(=O)C2(CC#N)OC(C)=O)c(NC(C)=O)c1

BDBM50523825

Cc1ccc(cc1)C(=O)\C=C1/C(=O)Nc2ccccc12

BDBM50523826

O=C1Nc2ccccc2C11CC1c1ccccn1

BDBM50523827

COc1cc(\C=C2/C(=O)Nc3ccc(Nc4ccco4)cc23)cc(OC)c1OC

BDBM50523828

COc1ccc2NC(=O)\C(=C/C(O)=O)c2c1

BDBM50523829

Oc1ccc(C=C2C(=O)Nc3ccc(Nc4ccco4)cc23)cc1

BDBM50523830

Brc1ccc2NC(=O)C(=Cc3ccncc3)c2c1

BDBM50523831

Brc1ccc2NC(=O)\C(=C\c3ccccn3)c2c1

BDBM50523832

[O-][N+](=O)c1ccc2NC(=O)\C(=C\c3ccccn3)c2c1

BDBM50523833

COc1ccc2NC(=O)C(O)(CC(=O)c3ccc(C)cc3)c2c1

BDBM50523834

COc1ccc(cc1)C(=O)CC1(O)C(=O)Nc2ccccc12

BDBM50523835

CC(=O)Nc1ccc2NC(=O)C(CC(O)=O)(OC(C)=O)c2c1

BDBM50523836

COC(=O)Nc1ccc2NC(=O)\C(=C/c3ccc(Br)cc3)c2c1

BDBM50523837

Oc1ccc(\C=C2/C(=O)Nc3ccc(NC(=O)c4ccccc4)cc23)cc1

BDBM50523838

O=C1Nc2ccccc2C1=Cc1cccnc1

BDBM50524507

CSc1nc(c([nH]1)-c1ccnc(NC(=O)CCc2ccc(cc2)C(F)(F)F)c1)-c1ccc(F)cc1

BDBM50524510

Cc1ncc([nH]1)-c1ccnc(NC(=O)C2CC2)c1

BDBM50524511

CSc1nc(c([nH]1)-c1ccnc(NC(=O)c2ccoc2)c1)-c1ccc(F)cc1

BDBM50524512

C[S+]([O-])c1nc(c([nH]1)-c1ccnc(NC(=O)C2CC2)c1)-c1ccc(F)cc1

BDBM50343498

CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(NC(C)=O)c1

BDBM50524530

CSc1nc(c([nH]1)-c1ccnc(NC(=O)C2CCCC2)c1)-c1ccc(F)cc1

BDBM50524531

COc1cc(CC(=O)Nc2cc(ccn2)-c2[nH]c(SC)nc2-c2ccc(F)cc2)cc(OC)c1OC

BDBM50524516

CSc1nc(c([nH]1)-c1ccnc(NC(=O)Cc2ccc(cc2)C(F)(F)F)c1)-c1ccc(F)cc1

BDBM50524517

CSc1nc(c([nH]1)-c1ccnc(NC(=O)C2(CC2)C(F)(F)F)c1)-c1ccc(F)cc1

BDBM50524519

CSc1nc(c([nH]1)-c1ccnc(NC(=O)CC2CC2)c1)-c1ccc(F)cc1

BDBM50524532

CSc1nc(c([nH]1)-c1ccnc(NC(=O)C2CC(=O)C2)c1)-c1ccc(F)cc1

BDBM50524520

CSc1nc(c([nH]1)-c1ccnc(NC(=O)[C@H]2C[C@H](Cl)C2)c1)-c1ccc(F)cc1 |r,wU:15.15,wD:17.18,(60.15,-5.52,;59.38,-6.85,;57.85,-6.86,;57.09,-5.51,;55.58,-5.82,;55.4,-7.35,;56.8,-7.99,;54.07,-8.1,;52.74,-7.31,;51.4,-8.07,;51.38,-9.61,;52.72,-10.39,;52.7,-11.93,;54.03,-12.71,;54.02,-14.25,;55.37,-11.95,;55.77,-10.47,;57.26,-10.88,;58.6,-10.12,;56.85,-12.37,;54.05,-9.63,;54.45,-4.78,;54.79,-3.28,;53.66,-2.23,;52.19,-2.69,;51.05,-1.65,;51.85,-4.21,;52.99,-5.24,)|

BDBM50524509

CSc1nc(c([nH]1)-c1ccnc(NC(=O)C2CCC(=O)C2)c1)-c1ccc(F)cc1

BDBM50524533

CSc1nc(c([nH]1)-c1ccnc(NC(=O)CN2CCCC2=O)c1)-c1ccc(F)cc1

BDBM50524522

CSc1nc(c([nH]1)-c1ccnc(NC(=O)c2ccccn2)c1)-c1ccc(F)cc1

BDBM50524534

CSc1nc(c(-c2ccc(F)cc2)n1C)-c1ccnc(NC(=O)C2CC2)c1

BDBM50524525

CC(=O)Nc1cc(ccn1)-c1[nH]c(SCc2ccccc2)nc1-c1ccc(F)cc1

BDBM50524535

Fc1ccc(cc1)-c1nc(SCc2ccccc2)[nH]c1-c1ccnc(NC(=O)C2CCCC2)c1

BDBM50524536

Fc1ccc(CC(=O)Nc2cc(ccn2)-c2[nH]c(SCc3ccccc3)nc2-c2ccc(F)cc2)cc1

BDBM50524526

C[S+]([O-])c1nc(c([nH]1)-c1ccnc(NC(=O)C2CCC2)c1)-c1ccc(F)cc1

BDBM50524537

CCc1nc(c([nH]1)-c1ccnc(NC(=O)C2CC2)c1)-c1ccc(F)cc1

BDBM50524538

Fc1ccc(cc1)-c1nc(Cc2ccccc2)[nH]c1-c1ccnc(NC(=O)C2CC2)c1

BDBM50524506

Fc1ccc(cc1)-c1nc(CCc2ccccc2)[nH]c1-c1ccnc(NC(=O)C2CC2)c1

BDBM50524514

CSc1nc(c([nH]1)-c1ccnc(NC(=O)C2CC2)c1)-c1ccc(F)cc1

BDBM50524540

CSc1nc(c([nH]1)-c1ccnc(NC(=O)C2CCCO2)c1)-c1ccc(F)cc1

BDBM50524524

COc1cc(CCC(=O)Nc2cc(ccn2)-c2[nH]c(SCc3ccccc3)nc2-c2ccc(F)cc2)cc(OC)c1OC

BDBM50524527

Cc1nc(c([nH]1)-c1ccnc(NC(=O)C2CC2)c1)-c1ccc(F)cc1

BDBM50524508

COc1cccc(CCC(=O)Nc2cc(ccn2)-c2[nH]c(SC)nc2-c2ccc(F)cc2)c1

BDBM50524523

CSc1nc(c([nH]1)-c1ccnc(NCC2CC2)c1)-c1ccc(F)cc1

BDBM50524528

Fc1ccc(cc1)-c1nc([nH]c1-c1ccnc(NC(=O)C2CC2)c1)-c1ccccc1

BDBM50524513

COc1cc(CCC(=O)Nc2cc(ccn2)-c2[nH]c(SC)nc2-c2ccc(F)cc2)cc(OC)c1OC

BDBM50524515

COc1ccc(CCC(=O)Nc2cc(ccn2)-c2[nH]c(SC)nc2-c2ccc(F)cc2)cc1

BDBM50524539

CSc1nc(c([nH]1)-c1ccnc(NC(=O)C2CCC2)c1)-c1ccc(F)cc1

BDBM50524521

CSc1nc(c([nH]1)-c1ccnc(NC(=O)[C@@H]2C[C@H](Cl)C2)c1)-c1ccc(F)cc1 |r,wU:15.15,17.18,(80.61,-5.18,;79.85,-6.51,;78.31,-6.51,;77.56,-5.17,;76.05,-5.47,;75.87,-7,;77.27,-7.65,;74.53,-7.76,;73.21,-6.97,;71.86,-7.72,;71.85,-9.27,;73.18,-10.05,;73.17,-11.59,;74.5,-12.37,;74.48,-13.91,;75.84,-11.61,;77.31,-12.02,;77.72,-10.54,;79.06,-9.78,;76.24,-10.13,;74.52,-9.29,;74.92,-4.44,;75.26,-2.93,;74.13,-1.89,;72.65,-2.35,;71.52,-1.31,;72.32,-3.86,;73.45,-4.9,)|

BDBM50330161

CSc1nc(c(-c2ccnc(NC(=O)C3CC3)c2)n1C)-c1ccc(F)cc1

BDBM50524505

Fc1ccc(cc1)-c1nc(SCc2ccccc2)[nH]c1-c1ccnc(NC(=O)C2CC2)c1

BDBM50524541

Fc1ccc(cc1)-c1nc[nH]c1-c1ccnc(NC(=O)C2CC2)c1

BDBM50524529

Fc1ccc(cc1)-c1nc([nH]c1-c1ccnc(NC(=O)C2CC2)c1)-c1ccco1

BDBM50524518

CSc1nc(c([nH]1)-c1ccnc(NC(=O)[C@@H]2C[C@H]2c2ccccc2)c1)-c1ccc(F)cc1 |r|

BDBM50525584

CC(C)(C#N)c1cccc(n1)-c1ccnc2[nH]ccc12

BDBM50532181

COc1cc(ccc1OCc2ccc(cc2)C3CC3)C4CN(C4)C(=O)c5cc(ccn5)COC[C@H](CO)O

BDBM50534241

CS(=O)(=O)c1ccc(cc1)-c1c[nH]c2ncc(\C=C\C(=O)NCc3ccncc3)cc12

BDBM50203552

O=C(NCCc1c[nH]c2ccccc12)\C=C\c1cnc2[nH]cc(-c3ccccc3)c2c1

BDBM50534242

O=C(NCc1ccc2[nH]ccc2c1)\C=C\c1cnc2[nH]cc(-c3ccccc3)c2c1

BDBM50534243

O=C(CNC(=O)c1ccc2noc(-c3ccccc3)c2c1)NCCc1c[nH]c2ccccc12

BDBM50203636

O=C(NCCc1ccncc1)\C=C\c1cnc2[nH]cc(-c3ccccc3)c2c1

BDBM50534244

O=C(NCc1ccncc1)\C=C\c1cnc2[nH]cc(-c3ccc(cc3)C#N)c2c1

BDBM50534245

O=C(CNC(=O)c1cnc2[nH]cc(-c3ccncc3)c2c1)NCCc1c[nH]c2ccccc12

BDBM50203629

O=C(CNC(=O)c1cnc2[nH]cc(-c3ccccc3)c2c1)NCCc1c[nH]c2ccccc12

BDBM50534246

O=C(C\C=C\c1cnc2[nH]cc(-c3ccccc3)c2c1)NCCc1ccccc1

BDBM50203630

O=C(NCCN1CCOCC1)\C=C\c1cnc2[nH]cc(-c3ccccc3)c2c1

BDBM50203633

O=C(NCCc1ccccc1)\C=C\c1cnc2[nH]cc(-c3ccccc3)c2c1

BDBM50534247

O=C(NCCc1c[nH]c2ncccc12)\C=C\c1cnc2[nH]cc(-c3ccccc3)c2c1

BDBM50534248

O=C(NCc1ccncc1)\C=C\c1cnc2[nH]cc(-c3ccccc3)c2c1

BDBM50534249

O=C(NCc1ccco1)\C=C\c1cnc2[nH]cc(-c3ccccc3)c2c1

BDBM50534250

O=C(NCc1ccccn1)\C=C\c1cnc2[nH]cc(-c3ccccc3)c2c1

BDBM50534251

O=C(NCc1ccncc1)\C=C\c1cnc2[nH]cc(-c3ccncc3)c2c1

BDBM50534252

O=C(NCc1ccncc1)\C=C\c1cnc2[nH]cc(-c3cccnc3)c2c1

BDBM50534253

CC(=O)c1ccc(cc1)-c1c[nH]c2ncc(\C=C\C(=O)NCc3ccncc3)cc12

BDBM50534254

NC(=O)c1ccc(cc1)-c1c[nH]c2ncc(\C=C\C(=O)NCc3ccncc3)cc12

BDBM50534255

COc1ccc(cc1)-c1c[nH]c2ncc(\C=C\C(=O)NCc3ccncc3)cc12

BDBM50534256

O=C(NCc1ccc2OCCc2c1)\C=C\c1cnc2[nH]cc(-c3ccccc3)c2c1

BDBM50534257

O=C(C\C=C\c1cnc2[nH]cc(-c3ccccc3)c2c1)NCCc1c[nH]c2ccccc12

BDBM50534258

O=C(CNC(=O)c1ccc2[nH]cc(-c3ccncc3)c2c1)NCCc1c[nH]c2ccccc12

BDBM50203639

O=C(CCc1cnc2[nH]cc(-c3ccccc3)c2c1)NCCc1c[nH]c2ccccc12

BDBM50534259

CC(=O)c1ccc(cc1)-c1c[nH]c2ncc(\C=C\C(=O)NCCc3ccccn3)cc12

BDBM50534260

O=C(NCc1cccnc1)\C=C\c1cnc2[nH]cc(-c3ccccc3)c2c1

BDBM50534261

Fc1ccc(cc1)-c1c[nH]c2ncc(\C=C\C(=O)NCc3ccncc3)cc12

BDBM50534262

O=C(NCc1nc2ccccc2[nH]1)\C=C\c1cnc2[nH]cc(-c3ccccc3)c2c1

BDBM50350644

O=C1NC(=O)c2ccccc12

BDBM50535402

ONC(=O)CCCCCNC(=S)Nc1ccc2C(=O)NC(=O)c2c1

BDBM50535400

ONC(=O)CCCCNC(=S)Nc1ccc2C(=O)NC(=O)c2c1

BDBM50535403

ONC(=O)CCCNC(=S)Nc1ccc2C(=O)NC(=O)c2c1

BDBM50535401

ONC(=O)CCNC(=S)Nc1ccc2C(=O)NC(=O)c2c1

BDBM50535966

CCC(CC)CNc1c(cnc2ccc(cc12)-c1ccc(COC)nc1)C(N)=O

BDBM50459007

COCc1ccc(cn1)-c1ccc2ncc(C(N)=O)c(N[C@@H](C)C3CCOCC3)c2c1 |r|

BDBM50459018

COCc1ccc(cn1)-c1cc2c(N[C@@H](C)c3ccn(C)n3)c(cnc2cc1F)C(N)=O |r|

BDBM50535971

CCC(CC)CNc1c(cnc2ccc(cc12)C#N)C(N)=O

BDBM50536410

COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(NC(=O)CN2CCOCC2)c1

BDBM50536679

Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)N[C@@H]1CCCC[C@@H]1N |r|

BDBM50536681

Cc1sc(cc1-c1cnn2cc(Cl)cnc12)C(=O)N[C@@H]1[C@H](N)CCCC1(F)F |r|

BDBM50536678

Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)NCC(F)(F)F

BDBM50536675

FC(F)(F)CNC(=O)c1cc(cs1)-c1cnn2cc(cnc12)-c1ccc(OCCN2CCCCC2)cc1

BDBM50537742

C[C@@H]1C[C@H]1C(=O)N1CCN(C[C@H]1C)c1cnc(C#N)c(n1)-c1cnn(C)c1 |r|

BDBM50375654

Nc1ncnc2n(cc(I)c12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|

BDBM100152

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

BDBM50538083

Nc1ncc(nc1C(=O)Nc1cnccc1N1CCC(CC1)C(O)=O)-c1ccccc1

BDBM50538084

CC(C)Oc1ccc(F)c(c1)-c1cnc(N)c(n1)C(=O)Nc1cnccc1N1CCC[C@H](C1)C(O)=O |r|

BDBM50538085

CC(C)Cn1cc(-c2ccncc2)c2ccncc12

BDBM50538086

C(C1CC1)n1cc(-c2ccncc2)c2ccncc12

BDBM50538087

CC1(Cn2cc(-c3ccncc3)c3ccncc23)COC1

BDBM50538088

C1CC(CCO1)n1cc(-c2ccncc2)c2ccncc12

BDBM50538089

C(c1ccccc1)n1cc(-c2ccncc2)c2ccncc12

BDBM50538090

c1c(-c2ccncc2)c2ccncc2n1-c1ccccc1

BDBM50538091

Nc1cc(ccn1)-c1cn(-c2ccccc2)c2cnccc12

BDBM50538092

O=C(Nc1cc(ccn1)-c1cn(-c2ccccc2)c2cnccc12)C1CC1

BDBM50538093

O=C(NC1CC1)Nc1cc(ccn1)-c1cn(-c2ccccc2)c2cnccc12

BDBM50538094

O=C(NC1CC1)Nc1cc(ccn1)-c1cn(C2CCOCC2)c2cnccc12

BDBM50538095

CC1(C)CN(C1)C(=O)Nc1cc(ccn1)-c1cn(C2CCOCC2)c2cnccc12

BDBM50538096

O=C(Nc1cc(ccn1)-c1cn(C2CCOCC2)c2cnccc12)N1CCOCC1

BDBM50538097

C[C@H]1CN(C[C@@H](C)O1)C(=O)Nc1cc(ccn1)-c1cn(C2CCOCC2)c2cnccc12 |r|

BDBM50538098

C[C@H]1CN(C[C@@H](C)O1)C(=O)Nc1cc(ccn1)-c1cn([C@H]2CC[C@@](C)(O)CC2)c2cnccc12 |r,wU:23.25,5.5,1.0,wD:20.21,(67.8,-7.39,;66.77,-6.25,;65.27,-6.57,;64.23,-5.42,;64.7,-3.97,;66.21,-3.64,;66.68,-2.18,;67.24,-4.79,;62.73,-5.75,;62.26,-7.22,;61.69,-4.61,;60.19,-4.94,;59.72,-6.41,;58.21,-6.74,;57.18,-5.6,;57.64,-4.14,;59.15,-3.8,;57.75,-8.2,;58.66,-9.44,;57.76,-10.69,;58.24,-12.15,;57.22,-13.3,;57.69,-14.75,;59.2,-15.07,;58.8,-16.55,;60.28,-16.15,;60.23,-13.92,;59.75,-12.45,;56.29,-10.22,;54.95,-11,;53.61,-10.23,;53.62,-8.69,;54.95,-7.92,;56.28,-8.68,)|

BDBM50538099

CCN1CCN(CC1)C(=O)Nc1cc(ccn1)-c1cn(C2CCOCC2)c2cnccc12

BDBM50540733

Fc1cccc(-c2ccc3[nH]nc(C(=O)NC4CCOCC4)c3c2)c1F

BDBM50540734

Fc1cccc(-c2ccc3[nH]nc(C(=O)NC4CCCOC4)c3c2)c1F

BDBM50540736

Fc1cccc(-c2ccc3[nH]nc(C(=O)NC4CCS(=O)(=O)CC4)c3c2)c1F

BDBM50540741

OCc1cncc(c1)-c1ccc2[nH]nc(C(=O)NCC3CCOCC3)c2c1

BDBM50546117

NCCO\N=C1\C(\Nc2ccc(O)cc\12)=C1\C(=O)Nc2ccc(cc12)[N+]([O-])=O

BDBM50528817

CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cnn3CC(C)(C)Cc23)c(Cl)cn1 |r|

BDBM50269948

CS(=O)(=O)c1cccc(c1)CNc2c(cnc(n2)Nc3ccc4c(c3)CCC(=O)N4)C(F)(F)F

BDBM50549828

Cc1nc(NC(=O)NCCc2cn(CC(F)F)cn2)sc1C#Cc1cccnc1

BDBM50549837

COc1cc(cnc1OC)C#Cc1sc(NC(=O)NCCOCC2CC2)nc1C

BDBM50549846

Cc1nc(NC(=O)NCCOCC2CC2)sc1C#Cc1ccc2cncn2c1

BDBM50549854

C[C@@H](CNC(=O)Nc1nc(C)c(s1)C#Cc1cncc(C)c1)OCC1CC1 |r|

BDBM50549855

C[C@@H](CNC(=O)Nc1nc(C)c(s1)C#Cc1cnc(C)c(C)c1)OCC1CC1 |r|

BDBM50552007

C[C@H](CO)n1cnnc1-c1cccc(NC(=O)Nc2cc3ccccn3n2)n1 |r|

BDBM50552452

NC(=O)c1sc(nc1OCCCC1CCN(Cc2ccc(F)cc2)CC1)-c1ccnc(NC(=O)C2CC2)c1

BDBM50552453

NC(=O)c1sc(nc1OCCCC1CCN(Cc2cccc(F)c2)CC1)-c1ccnc(NC(=O)C2CC2)c1

BDBM50552454

NC(=O)c1sc(nc1OCCCC1CCN(Cc2ccccc2F)CC1)-c1ccnc(NC(=O)C2CC2)c1

BDBM50552455

NC(=O)c1sc(nc1OCCCC1CCN(Cc2ccccc2)CC1)-c1ccnc(NC(=O)C2CC2)c1

BDBM50552456

NC(=O)c1sc(nc1OCCC1CCN(Cc2ccc(F)c(F)c2)CC1)-c1ccnc(NC(=O)C2CC2)c1

BDBM50552457

NC(=O)c1sc(nc1OCCC1CCN(Cc2c(F)cccc2F)CC1)-c1ccnc(NC(=O)C2CC2)c1

BDBM50552458

NC(=O)c1sc(nc1OCCC1CCN(Cc2ccc(F)cc2)CC1)-c1ccnc(NC(=O)C2CC2)c1

BDBM50552459

NC(=O)c1sc(nc1OCCC1CCN(Cc2cccc(F)c2)CC1)-c1ccnc(NC(=O)C2CC2)c1

BDBM50552460

NC(=O)c1sc(nc1OCCC1CCN(Cc2ccccc2Cl)CC1)-c1ccnc(NC(=O)C2CC2)c1

BDBM50552461

NC(=O)c1sc(nc1OCCC1CCN(Cc2ccccn2)CC1)-c1ccnc(NC(=O)C2CC2)c1

BDBM50552462

NC(=O)c1sc(nc1OCCC1CCN(Cc2ccccc2F)CC1)-c1ccnc(NC(=O)C2CC2)c1

BDBM50552463

NC(=O)c1sc(nc1OCCC1CCN(Cc2ccccc2)CC1)-c1ccnc(NC(=O)C2CC2)c1

BDBM50552464

NC(=O)c1sc(nc1OCC1CCN(Cc2ccccc2)CC1)-c1ccnc(NC(=O)C2CC2)c1

BDBM50552465

NC(=O)c1sc(nc1O)-c1ccnc(NC(=O)C2CC2)c1

BDBM8960

COc1cc2c(cc1OC)C(=O)[C@@H](C2)CC3CCN(CC3)Cc4ccccc4

BDBM8961

c1ccc2c(c1)c(c3c(n2)CCCC3)N

BDBM50552466

CNC(=O)c1sc(nc1OCC1CCN(Cc2cccc(c2)[N+]([O-])=O)CC1)-c1ccnc(NC(=O)C2CC2)c1

BDBM50552467

CNC(=O)c1sc(nc1OCC1CCN(Cc2ccc(Cl)cc2)CC1)-c1ccnc(NC(=O)C2CC2)c1

BDBM50552468

CNC(=O)c1sc(nc1OCC1CCN(Cc2cccc(Br)c2)CC1)-c1ccnc(NC(=O)C2CC2)c1

BDBM50552469

CNC(=O)c1sc(nc1OCC1CCN(Cc2ccc(Br)cc2)CC1)-c1ccnc(NC(=O)C2CC2)c1

BDBM50552470

CNC(=O)c1sc(nc1OCC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)-c1ccnc(NC(=O)C2CC2)c1

BDBM50552471

CNC(=O)c1sc(nc1OCC1CCN(Cc2ccc(F)c(F)c2)CC1)-c1ccnc(NC(=O)C2CC2)c1

BDBM50552472

CNC(=O)c1sc(nc1OCC1CCN(Cc2ccccc2F)CC1)-c1ccnc(NC(=O)C2CC2)c1

BDBM50552473

CNC(=O)c1sc(nc1OCC1CCN(Cc2ccccc2)CC1)-c1ccnc(NC(=O)C2CC2)c1

BDBM50552474

CNC(=O)c1sc(nc1OC1CCN(Cc2ccccc2)CC1)-c1ccnc(NC(=O)C2CC2)c1

BDBM50552626

CN(C)\C=N\c1nc(OC[C@H](O)COC(c2ccccc2)(c2ccccc2)c2ccccc2)ns1 |r|

BDBM50552627

Nc1nc(=O)[nH]s1

BDBM50552628

CN(C)\C=N\c1nc(=O)n(C[C@H](O)COC(c2ccccc2)(c2ccccc2)c2ccccc2)s1 |r|

BDBM50552629

CC(C)OP(=O)(CO[C@H](CO)Cn1sc(NC(=O)OCC2c3ccccc3-c3ccccc23)nc1=O)OC(C)C |r|

BDBM50552630

O[C@H](COC(c1ccccc1)(c1ccccc1)c1ccccc1)Cn1c(=O)[nH]s\c1=N/C(=O)c1ccccc1 |r|

BDBM50552631

CCOC(=O)Nc1nc(=O)n(CCOCP(O)(O)=O)s1

BDBM50552632

CC(C)OP(=O)(COCCOc1nsc(\N=C\N(C)C)n1)OC(C)C

BDBM50552633

CN(C)\C=N\c1nc(=O)[nH]s1

BDBM50552634

OP(O)(=O)COCCn1sc(NC(=O)OCC2c3ccccc3-c3ccccc23)nc1=O

BDBM50552635

CC(=O)Nc1nc(=O)[nH]s1

BDBM50552636

CC(C)OP(=O)(COCCOc1nsc(N)n1)OC(C)C

BDBM50552637

CC(C)OP(=O)(COCCn1sc(NC(=O)c2ccccc2)nc1=O)OC(C)C

BDBM50552638

CCOC(=O)Nc1nc(=O)n(C[C@@H](CO)OCP(=O)(OC(C)C)OC(C)C)s1 |r|

BDBM60185

O=C(Nc1nc(=O)[nH]s1)c1ccccc1

BDBM50552639

OC[C@H](Cn1sc(NC(=O)OCC2c3ccccc3-c3ccccc23)nc1=O)OCP(O)(O)=O |r|

BDBM50552640

CCOC(=O)Nc1nc(=O)n(CCOCP(=O)(OC(C)C)OC(C)C)s1

BDBM50552641

Nc1nc(OCCOCP(O)(O)=O)ns1

BDBM50552642

OP(O)(=O)COCCn1sc(NC(=O)c2ccccc2)nc1=O

BDBM50552643

OC[C@H](Cn1sc(NC(=O)c2ccccc2)nc1=O)OCP(O)(O)=O |r|

BDBM50552644

CC(C)OP(=O)(CO[C@H](CO)Cn1sc(NC(=O)c2ccccc2)nc1=O)OC(C)C |r|

BDBM50552645

CCOC(=O)Nc1nc(=O)n(C[C@@H](CO)OCP(O)(O)=O)s1 |r|

BDBM50235350

C#Cc1nc(Nc2ccccc2)nc2[nH]cnc12

BDBM168383

COc1cc(F)ccc1-c1ncnc(Nc2cccc(CS(C)(=N)=O)c2)n1

BDBM50556391

CNC(=O)c1sc(nc1OCCOCc1cn(nn1)-c1c2CCCCc2nc2ccccc12)-c1ccnc(NC(=O)C2CC2)c1

BDBM50556392

CNC(=O)c1sc(nc1OCCc1cn(nn1)-c1c2CCCCc2nc2ccccc12)-c1ccnc(NC(=O)C2CC2)c1

BDBM50556393

NC(=O)c1sc(nc1OCCc1cn(nn1)-c1c2CCCCc2nc2ccccc12)-c1ccnc(NC(=O)C2CC2)c1

BDBM50556394

CNC(=O)c1sc(nc1OCCc1cn(CCNc2c3CCCCc3nc3cc(Cl)ccc23)nn1)-c1ccnc(NC(=O)C2CC2)c1

BDBM50556395

CNC(=O)c1sc(nc1OCCc1cn(CCNc2c3CCCCc3nc3ccccc23)nn1)-c1ccnc(NC(=O)C2CC2)c1

BDBM50556396

CNC(=O)c1sc(nc1OCCCc1cn(CCNc2c3CCCCc3nc3ccccc23)nn1)-c1ccnc(NC(=O)C2CC2)c1

BDBM50556397

CNC(=O)c1sc(nc1OCCc1cn(CCNc2c3CCCCc3nc3ccc(OC)cc23)nn1)-c1ccnc(NC(=O)C2CC2)c1

BDBM50556398

CNC(=O)c1sc(nc1OCCCc1cn(CCNc2c3CCCCc3nc3ccc(OC)cc23)nn1)-c1ccnc(NC(=O)C2CC2)c1

BDBM50556399

CNC(=O)c1sc(nc1OCCOCc1cn(CCNc2c3CCCCc3nc3cc(Cl)ccc23)nn1)-c1ccnc(NC(=O)C2CC2)c1

BDBM50556400

CNC(=O)c1sc(nc1OCCOCc1cn(CCNc2c3CCCCc3nc3ccccc23)nn1)-c1ccnc(NC(=O)C2CC2)c1

BDBM50556401

CNC(=O)c1sc(nc1OCCOCc1cn(CCNc2c3CCCCc3nc3ccc(OC)cc23)nn1)-c1ccnc(NC(=O)C2CC2)c1

BDBM50074681

COc1nc(sc1C(N)=O)-c1ccnc(NC(=O)C2CC2)c1

BDBM50556402

O=C(Nc1cc(ccn1)-c1nc(OCC2CC2)c(s1)C(=O)NCCCNc1c2CCCCc2nc2ccccc12)C1CC1

BDBM50556403

O=C(Nc1cc(ccn1)-c1nc(OCC2CC2)c(s1)C(=O)NCCCNc1c2CCCCc2nc2ccccc12)C1CCC1

BDBM50556404

CC(=O)Nc1cc(ccn1)-c1nc(OCC2CC2)c(s1)C(=O)NCCCNc1c2CCCCc2nc2ccccc12

BDBM50556390

CNC(=O)c1sc(nc1OCC1CC1)-c1ccnc(NC(=O)CNCCNc2c3CCCCc3nc3ccccc23)c1

BDBM50556405

CNC(=O)c1sc(nc1OCC1CC1)-c1ccnc(NC(=O)CNCCNc2c3CCCCc3nc3cc(Cl)ccc23)c1

BDBM50556406

CNC(=O)c1sc(nc1OCC1CC1)-c1ccnc(NC(=O)CNCCNc2c3CCCCc3nc3ccc(OC)cc23)c1

BDBM50556407

CCNC(=O)c1sc(nc1OCC1CC1)-c1ccnc(NC(=O)CNCCNc2c3CCCCc3nc3ccccc23)c1

BDBM50556408

CCCNC(=O)c1sc(nc1OCC1CC1)-c1ccnc(NC(=O)CNCCNc2c3CCCCc3nc3ccccc23)c1

BDBM50556409

NC(=O)c1sc(nc1OCC1CC1)-c1ccnc(NC(=O)CNCCNc2c3CCCCc3nc3ccccc23)c1

BDBM50556410

CNC(=O)c1sc(nc1OCC1CC1)-c1ccnc(NC(=O)CNCCCCNc2c3CCCCc3nc3ccccc23)c1

BDBM50556411

CNC(=O)c1sc(nc1OCC1CC1)-c1ccnc(NC(=O)CNCCCCCCNc2c3CCCCc3nc3ccccc23)c1

BDBM50556412

CNC(=O)c1sc(nc1OCC1CC1)-c1ccnc(NC(=O)CNCCCCCCCCNc2c3CCCCc3nc3ccccc23)c1

BDBM50556413

CNC(=O)c1sc(nc1OC)-c1ccnc(NC(=O)CNCCNc2c3CCCCc3nc3ccccc23)c1

BDBM50556414

CNC(=O)c1sc(nc1OCC1CCC1)-c1ccnc(NC(=O)CNCCNc2c3CCCCc3nc3ccccc23)c1

BDBM50556415

CNC(=O)c1sc(nc1OCC(C)(C)C)-c1ccnc(NC(=O)CNCCNc2c3CCCCc3nc3ccccc23)c1

BDBM50556416

CNC(=O)c1sc(nc1OC(C)C)-c1ccnc(NC(=O)CNCCNc2c3CCCCc3nc3ccccc23)c1

BDBM50556417

CNC(=O)c1sc(nc1OCC(C)C)-c1ccnc(NC(=O)CNCCNc2c3CCCCc3nc3ccccc23)c1

BDBM50556553

[O-][N+](=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1nc(no1)-c1ccnc(Nc2ccc(OC(F)(F)F)cc2)c1

BDBM50556554

COc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1nc(no1)-c1ccnc(Nc2ccc(OC(F)(F)F)cc2)c1

BDBM50556555

CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1nc(no1)-c1ccnc(Nc2ccc(OC(F)(F)F)cc2)c1

BDBM50556556

[O-][N+](=O)c1cccc(c1)S(=O)(=O)Nc1ccc(cc1)-c1nc(no1)-c1ccnc(Nc2ccc(OC(F)(F)F)cc2)c1

BDBM50556557

CC(=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1nc(no1)-c1ccnc(Nc2ccc(OC(F)(F)F)cc2)c1

BDBM50556558

FC(F)(F)Oc1ccc(Nc2cc(ccn2)-c2noc(n2)-c2ccc(NS(=O)(=O)c3ccccc3OC(F)(F)F)cc2)cc1

BDBM50556559

FC(F)(F)Oc1ccc(Nc2cc(ccn2)-c2noc(n2)-c2ccc(NS(=O)(=O)c3cccc(c3)C(F)(F)F)cc2)cc1

BDBM50556560

CC(=O)Nc1cccc(c1)S(=O)(=O)Nc1ccc(cc1)-c1nc(no1)-c1ccnc(Nc2ccc(OC(F)(F)F)cc2)c1

BDBM50556561

FC(F)(F)Oc1ccc(Nc2cc(ccn2)-c2noc(n2)-c2ccc(NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)cc2)cc1

BDBM50556562

Fc1ccc(cc1Cl)S(=O)(=O)Nc1ccc(cc1)-c1nc(no1)-c1ccnc(Nc2ccc(OC(F)(F)F)cc2)c1

BDBM50556563

Fc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1nc(no1)-c1ccnc(Nc2ccc(OC(F)(F)F)cc2)c1

BDBM50556564

FC(F)(F)Oc1ccc(Nc2cc(ccn2)-c2noc(n2)-c2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2)cc1

BDBM50556565

FC(F)(F)Oc1ccc(Nc2cc(ccn2)-c2noc(n2)-c2ccc(NS(=O)(=O)c3cccs3)cc2)cc1

BDBM50556566

COC(=O)c1ccc(s1)S(=O)(=O)Nc1ccc(cc1)-c1nc(no1)-c1ccnc(Nc2ccc(OC(F)(F)F)cc2)c1

BDBM50556567

FC(F)(F)Oc1ccc(Nc2cc(ccn2)-c2noc(n2)-c2ccc(NS(=O)(=O)c3ccc(Cl)s3)cc2)cc1

BDBM50556568

CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1nc(no1)-c1ccnc(Nc2ccc(F)c(c2)C(F)(F)F)c1

BDBM50556569

CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1nc(no1)-c1ccnc(Nc2cccc(Cl)c2)c1

BDBM50556570

CC(C)(C)c1ccc(Nc2cc(ccn2)-c2noc(n2)-c2ccc(NS(=O)(=O)c3ccc(cc3)C(C)(C)C)cc2)cc1

BDBM50556571

CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1nc(no1)-c1ccnc(Nc2ccc(cc2)C(F)(F)F)c1

BDBM50556572

CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1nc(no1)-c1ccnc(Nc2ccc(F)c(F)c2)c1

BDBM50556573

CCc1ccc(Nc2cc(ccn2)-c2noc(n2)-c2ccc(NS(=O)(=O)c3ccc(cc3)C(C)(C)C)cc2)cc1

BDBM50556574

CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1nc(no1)-c1ccnc(Nc2ccc(Cl)cc2F)c1

BDBM50556575

COc1ccc(Nc2cc(ccn2)-c2noc(n2)-c2ccc(NS(=O)(=O)c3ccc(cc3)C(C)(C)C)cc2)cc1

BDBM50556576

CC(C)c1ccc(Nc2cc(ccn2)-c2noc(n2)-c2ccc(NS(=O)(=O)c3ccc(cc3)C(C)(C)C)cc2)cc1

BDBM50556577

Cc1ccccc1Nc1cc(ccn1)-c1noc(n1)-c1ccc(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)cc1

BDBM50556578

Cc1ccc(Nc2cc(ccn2)-c2noc(n2)-c2ccc(NS(=O)(=O)c3ccc(cc3)C(C)(C)C)cc2)cc1

BDBM50556579

Cc1cccc(Nc2cc(ccn2)-c2noc(n2)-c2ccc(NS(=O)(=O)c3ccc(cc3)C(C)(C)C)cc2)c1

BDBM107057

CC(C)Oc1cc(C2CCN(C)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(C)[nH]nc2n1

BDBM246383

[H]/N=C(\c1nc2ccc3c(c2s1)c(ncn3)Nc4ccc(cc4F)OC)/OC

BDBM50434353

COC(=N)c1nc2ccc3c(c2s1)c(ncn3)Nc4ccc(cc4Cl)Cl

BDBM50559299

C[C@H]1C[C@H](C[C@@H](O)[C@]1(C)O)c1ccncc1NC(=O)c1nc(ccc1N)-c1ncccc1F |r|

BDBM50562312

COc1nc(sc1C(=O)NCCCNC(=O)COc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12)-c1ccnc(NC(=O)C2CC2)c1

BDBM50562313

COc1nc(sc1C(=O)NCCCCNC(=O)COc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12)-c1ccnc(NC(=O)C2CC2)c1

BDBM50562314

COc1nc(sc1C(=O)NCCCCCCNC(=O)COc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12)-c1ccnc(NC(=O)C2CC2)c1

BDBM50562315

CNC(=O)c1sc(nc1OCCCCCCCCn1cc(COc2cccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c23)nn1)-c1ccnc(NC(=O)C2CC2)c1

BDBM50562316

CNC(=O)c1sc(nc1OCCOCCOCCn1cc(COc2cccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c23)nn1)-c1ccnc(NC(=O)C2CC2)c1

BDBM50562317

CNC(=O)c1sc(nc1OCCOCCOCCOCCn1cc(COc2cccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c23)nn1)-c1ccnc(NC(=O)C2CC2)c1

BDBM50562318

CNC(=O)c1sc(nc1OCCC#Cc1cccc2C(=O)N(Cc12)C1CCC(=O)NC1=O)-c1ccnc(NC(=O)C2CC2)c1

BDBM50562319

CNC(=O)c1sc(nc1OCCCC#Cc1cccc2C(=O)N(Cc12)C1CCC(=O)NC1=O)-c1ccnc(NC(=O)C2CC2)c1

BDBM50562320

CNC(=O)c1sc(nc1OCCOCC#Cc1cccc2C(=O)N(Cc12)C1CCC(=O)NC1=O)-c1ccnc(NC(=O)C2CC2)c1

BDBM50562321

NC(=O)c1sc(nc1OCCOCC#Cc1cccc2C(=O)N(Cc12)C1CCC(=O)NC1=O)-c1ccnc(NC(=O)C2CC2)c1

BDBM50562322

NC(=O)c1sc(nc1OCCC#Cc1ccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c2c1)-c1ccnc(NC(=O)C2CC2)c1

BDBM50562323

CNC(=O)c1sc(nc1OCCCC#Cc1ccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c2c1)-c1ccnc(NC(=O)C2CC2)c1

BDBM50562324

NC(=O)c1sc(nc1OCCOCC#Cc1ccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c2c1)-c1ccnc(NC(=O)C2CC2)c1

BDBM50562325

CNC(=O)c1sc(nc1OCCOCC#Cc1ccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c2c1)-c1ccnc(NC(=O)C2CC2)c1

BDBM50562326

CNC(=O)c1sc(nc1OCCCCCCOc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12)-c1ccnc(NC(=O)C2CC2)c1

BDBM50562327

CNC(=O)c1sc(nc1OCCCCCCCCOc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12)-c1ccnc(NC(=O)C2CC2)c1

BDBM50562328

CNC(=O)c1sc(nc1OCCCCCCCCCCOc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12)-c1ccnc(NC(=O)C2CC2)c1

BDBM50562329

CNC(=O)c1sc(nc1OCCCCCCCCCCCCOc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12)-c1ccnc(NC(=O)C2CC2)c1

BDBM50562330

CNC(=O)c1sc(nc1OCCOCCOCCOc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12)-c1ccnc(NC(=O)C2CC2)c1

BDBM50562331

CNC(=O)c1sc(nc1OCCOCCOCCOCCOc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12)-c1ccnc(NC(=O)C2CC2)c1

BDBM50562332

CNC(=O)c1sc(nc1OCCOCCOCCOCCOCCOc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12)-c1ccnc(NC(=O)C2CC2)c1

BDBM50397745

CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)C(=O)Nc1cccnc1

BDBM50126732

CCN(CC)CC=Cc1[nH]c(=O)c2c3n(C)c(Nc4c(Cl)cccc4Cl)nc3ccc2c1C |w:6.5|

BDBM50562918

[H][C@]12OC[C@H](Nc3nccc(n3)-c3ccccc3OC)[C@@]1([H])OC[C@@H]2NC(=O)Nc1cccc(c1)C(F)(F)F |r|

BDBM50562919

[H][C@]12OC[C@H](Nc3nccc(n3)-c3ccc(OC)cc3)[C@@]1([H])OC[C@@H]2NC(=O)Nc1cccc(c1)C(F)(F)F |r|

BDBM50562920

[H][C@]12OC[C@H](OC(=O)Nc3ccc(Oc4ccccc4)cc3)[C@@]1([H])OC[C@@H]2NC(=O)Nc1cccc(c1)C(F)(F)F |r|

BDBM50562921

[H][C@]12OC[C@H](n3nnnc3-c3cccc(CN4CCCC4)c3)[C@@]1([H])OC[C@@H]2NC(=O)Nc1cccc(c1)C(F)(F)F |r|

BDBM50562922

Cc1nn(c(C)c1[C@H]1C[C@H](NC(=O)Nc2cccc(c2)C#N)C=C1)-c1ccccc1[N+]([O-])=O |r,c:24|

BDBM50562923

[H][C@]12CC(NC(=O)Nc3cccc(SC)c3)N(CC1CN(C)c1ccccc1)CCC2 |r,THB:19:18:3.2:28.29.30|

BDBM50562924

COC(=O)c1ccc2n3[C@@H](CNC(=O)Nc4ccccc4)COCc3nc2c1 |r|

BDBM50562925

CSCC(=O)N1C[C@H](C[C@H]1C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O)NC(=O)Nc1cccc(SC)c1 |r|

BDBM50562926

Cn1cccc1C(=O)N1C[C@@H](C[C@@H]1C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O)NC(=O)Nc1ccc(F)cc1F |r|

BDBM50562927

CC(C)=CC(=O)N1CC(CC1C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O)NC(=O)Nc1ccc(F)cc1F |r,wU:14.14,(21,-14.8,;21.86,-16,;23.34,-15.86,;21.25,-17.36,;22.15,-18.61,;23.37,-18.5,;21.5,-20.01,;19.98,-20.32,;19.82,-21.86,;21.22,-22.49,;22.23,-21.35,;23.77,-21.52,;24.26,-22.65,;24.68,-20.28,;26.22,-20.45,;26.84,-21.86,;28.37,-22.03,;29.4,-20.88,;30.81,-21.51,;30.64,-23.05,;31.67,-24.2,;31.19,-25.66,;29.68,-25.97,;28.65,-24.83,;29.14,-23.36,;27.13,-19.2,;26.64,-18.08,;28.35,-19.34,;18.47,-22.62,;17.14,-21.84,;17.16,-20.6,;15.84,-22.57,;14.54,-21.81,;14.56,-20.27,;13.23,-19.48,;11.89,-20.24,;10.83,-19.62,;11.88,-21.79,;13.2,-22.57,;13.19,-23.8,)|

BDBM50562928

COc1ccc2nc(CO[C@H]3CN(Cc4ccnc5ccccc45)C[C@H]3F)[nH]c2c1 |r|

BDBM50562929

Cn1c(CO[C@H]2CN(Cc3c[nH]c4ccccc34)C[C@H]2F)nc2ccccc12 |r|

BDBM50562930

Cc1cc2nc(CO[C@H]3CN(Cc4cccnc4)C[C@H]3F)[nH]c2cc1C |r|

BDBM50562931

CC(=O)Nc1ccc(CN2C[C@@H](F)[C@H](C2)OCc2nc3cc(C)c(C)cc3[nH]2)cc1 |r|

BDBM50562932

F[C@@H]1CN(Cc2ccc(cc2)C#N)C[C@@H]1OCc1nc2cc(ccc2[nH]1)C(F)(F)F |r|

BDBM50562933

CS(=O)(=O)c1ccc(CN2C[C@@H](F)[C@H](C2)OCc2nc3cc(ccc3[nH]2)C(F)(F)F)cc1 |r|

BDBM50562934

F[C@@H]1CN(C[C@@H]1OCc1nc2ccc(F)cc2[nH]1)C(=O)c1ccncc1 |r|

BDBM50562935

F[C@@H]1CN(C[C@@H]1OCc1nc2cc(ccc2[nH]1)C(F)(F)F)C(=O)c1ccccc1 |r|

BDBM50562936

COc1ccc(cc1)C(=O)N1C[C@@H](F)[C@H](C1)OCc1nc2cc(ccc2[nH]1)C(F)(F)F |r|

BDBM50562937

F[C@@H]1CN(C[C@@H]1OCc1nc2cc(ccc2[nH]1)C(F)(F)F)C(=O)c1cccnc1 |r|

BDBM50562938

[H][C@]12OC[C@H](Nc3nccc(n3)-c3ccc(OC)cc3)[C@@]1([H])OC[C@@H]2NC(=O)Nc1ccccc1 |r|

BDBM50562939

[H][C@]12OC[C@H](Nc3nccc(n3)-c3ccc(OC)cc3)[C@@]1([H])OC[C@@H]2NC(=O)Nc1cccc(c1)C#N |r|

BDBM50562940

[H][C@]12OC[C@H](Nc3nccc(n3)-c3ccc(OC)cc3)[C@@]1([H])OC[C@@H]2NC(=O)Nc1ccc(cc1)C(C)=O |r|

BDBM50562941

[H][C@]12OC[C@H](Nc3nccc(n3)-c3ccc(OC)cc3)[C@@]1([H])OC[C@@H]2NC(=O)Nc1cc(OC)cc(OC)c1 |r|

BDBM50562942

[H][C@]12OC[C@H](Nc3nccc(n3)-c3cccc(F)c3)[C@@]1([H])OC[C@@H]2NC(=O)Nc1cccc(c1)C(F)(F)F |r|

BDBM50562943

[H][C@]12OC[C@H](Nc3nccc(n3)-c3ccc(cc3)N(C)C)[C@@]1([H])OC[C@@H]2NC(=O)Nc1cccc(c1)C(F)(F)F |r|

BDBM50562944

[H][C@]12OC[C@H](Nc3nccc(n3)-c3ccccc3OC)[C@@]1([H])OC[C@@H]2NC(=O)Nc1cccc(c1)C#N |r|

BDBM50562945

[H][C@]12OC[C@H](Nc3nccc(n3)-c3cccc(F)c3)[C@@]1([H])OC[C@@H]2NC(=O)Nc1cccc(c1)C#N |r|

BDBM50562946

[H][C@]12OC[C@H](Nc3nccc(n3)-c3cccs3)[C@@]1([H])OC[C@@H]2NC(=O)Nc1cccc(c1)C(F)(F)F |r|

BDBM50562947

[H][C@]12OC[C@H](Nc3nccc(n3)C(C)(C)C)[C@@]1([H])OC[C@@H]2NC(=O)Nc1cccc(c1)C(F)(F)F |r|

BDBM50562948

[H][C@]12OC[C@H](Nc3nccc(n3)C3CCCC3)[C@@]1([H])OC[C@@H]2NC(=O)Nc1cccc(c1)C(F)(F)F |r|

BDBM50562949

[H][C@]12OC[C@H](Nc3nccc(n3)-c3ccco3)[C@@]1([H])OC[C@@H]2NC(=O)Nc1cccc(c1)C(F)(F)F |r|

BDBM50562950

[H][C@]12OC[C@H](Nc3nccc(n3)-c3cccs3)[C@@]1([H])OC[C@@H]2NC(=O)Nc1ccccc1 |r|

BDBM50562951

[H][C@]12OC[C@H](Nc3nccc(n3)-c3ccc(OC)cc3)[C@@]1([H])OC[C@@H]2NC(=O)NCC |r|

BDBM50562952

[H][C@]12OC[C@@H](OC(=O)Nc3cccc(c3)C(F)(F)F)[C@@]1([H])OC[C@@H]2Nc1nccc(n1)-c1ccc2OCOc2c1 |r|

BDBM50562953

[H][C@]12OC[C@@H](OC(=O)Nc3ccccc3)[C@@]1([H])OC[C@@H]2NC(=O)Nc1cccc2ccccc12 |r|

BDBM50562954

[H][C@]12OC[C@@H](OC(=O)Nc3cccc4ccccc34)[C@@]1([H])OC[C@@H]2NC(=O)Nc1cccc(c1)C(F)(F)F |r|

BDBM50562955

[H][C@]12OC[C@@H](OC(=O)Nc3cccc(c3)C(F)(F)F)[C@@]1([H])OC[C@@H]2NC(=S)Nc1cccc(c1)C(=O)OC |r|

BDBM50562956

[H][C@]12OC[C@@H](OC(=O)Nc3cccc(c3)C(F)(F)F)[C@@]1([H])OC[C@@H]2NC(=S)Nc1ccc(Cl)cc1 |r|

BDBM50562957

[H][C@]12OC[C@@H](OC(=O)Nc3cccc4ccccc34)[C@@]1([H])OC[C@@H]2NC(=S)Nc1ccc(Cl)cc1 |r|

BDBM50073190

Cn1cc(cn1)-c1ccc(cc1)-c1cncc(Cl)c1N1CCC2(CCNC2=O)CC1

BDBM50563322

Clc1cncc(-c2cc3ccccc3o2)c1N1CCC2(CCNC2=O)CC1

BDBM50563323

Clc1cncc(-c2cc3ccccc3s2)c1N1CCC2(CCNC2=O)CC1

BDBM50564716

CN1CCC(=CC1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(Sc2nc3ccccc3[nH]2)cc1 |c:4|

BDBM50564717

CN1CCC(=CC1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(Sc2nc(c[nH]2)-c2ccccc2)cc1 |c:4|

BDBM50564718

CN1CCC(=CC1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(Sc2nc3ccccc3n2C)cc1 |c:4|

BDBM50564719

CN1CCC(=CC1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(Sc2nc3ccccc3[nH]2)cc1Cl |c:4|

BDBM50564720

CN1CCC(=CC1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(Sc2nc3ccccc3n2C)cc1Cl |c:4|

BDBM50132310

CCN1CCOCCn2cc(C3=C(C(=O)NC3=O)c3cn(CCOCC1)c1ccccc31)c1ccccc21 |t:11|

BDBM50132309

CCN1CCOCCOCCn2cc(C3=C(C(=O)NC3=O)c3cn(CC1)c1ccccc31)c1ccccc21 |t:14|

BDBM50132312

CN1CCN(C)CCn2cc(C3=C(C(=O)NC3=O)c3cn(CC1)c1ccccc31)c1ccccc21 |t:11|

BDBM50132314

CCN1CCOCCN(CC)CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCOCC1)c1ccccc31)c1ccccc21 |t:16|

BDBM50132315

CN1CCN(C)CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCN(C)CC1)c1ccccc31)c1ccccc21 |t:11|

BDBM50132316

CN1CCOCCOCCN(C)CCn2cc(C3=C(C(=O)NC3=O)c3cn(CC1)c1ccccc31)c1ccccc21 |t:17|

BDBM50132311

CN1CCOCCn2cc(C3=C(C(=O)NC3=O)c3cn(CCN(C)CC1)c1ccccc31)c1ccccc21 |t:10|

BDBM50132318

CN1CCCn2cc(C3=C(C(=O)NC3=O)c3cn(CCOCCOCC1)c1ccccc31)c1ccccc21 |t:8|

BDBM50132308

OCCN1CCOCCn2cc(C3=C(C(=O)NC3=O)c3cn(CCOCC1)c1ccccc31)c1ccccc21 |t:12|

BDBM50132313

CN1CCOCCn2cc(C3=C(C(=O)NC3=O)c3cn(CCOCC1)c1ccccc31)c1ccccc21 |t:10|

BDBM50132317

CN1CCOCCN(C)CCn2cc(C3=C(C(=O)NC3=O)c3cn(CC1)c1ccccc31)c1ccccc21 |t:14|

BDBM14187

O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1ccc3ccccc3c21

BDBM50571206

OC1(CSC(=S)N1Cc1ccncc1)c1ccccc1

BDBM50129131

[H][C@@]12C[C@H](O)[C@H](O)C(=O)\C=C/C[C@H](C)OC(=O)c3c(O)cc(OC)cc3[C@@]1([H])O2 |r,c:9|

BDBM50571729

COc1ccc2c(c1)[nH]c1cnc(C)cc21

BDBM50571730

Fc1ccc2c(c1)[nH]c1cnc(NC(=O)C3CC3)cc21

BDBM50571731

Fc1ccc2c(c1)[nH]c1c(NC(=O)C3CC3)nccc21

BDBM50571732

Clc1ccc2c(c1)[nH]c1cnc(NC(=O)C3CC3)cc21

BDBM50571733

Clc1ccc2c(c1)[nH]c1c(NC(=O)C3CC3)nccc21

BDBM50571734

FC(F)(F)Oc1ccc2c(c1)[nH]c1cnc(NC(=O)C3CC3)cc21

BDBM50571735

FC(F)(F)Oc1ccc2c(c1)[nH]c1c(NC(=O)C3CC3)nccc21

BDBM50571736

FC(F)(F)c1ccc2c(c1)[nH]c1cnc(NC(=O)C3CC3)cc21

BDBM50571737

FC(F)(F)c1ccc2c(c1)[nH]c1c(NC(=O)C3CC3)nccc21

BDBM50571738

COc1ccc2c(c1)[nH]c1cnc(NC(=O)C3CC3)cc21

BDBM50571739

COc1ccc2c(c1)[nH]c1c(NC(=O)C3CC3)nccc21

BDBM50571740

O=C(Nc1cc2c(cn1)[nH]c1cc(ccc21)C#N)C1CC1

BDBM50571741

O=C(Nc1nccc2c3ccc(cc3[nH]c12)C#N)C1CC1

BDBM50571742

O=Cc1ccc2c(c1)[nH]c1cnc(NC(=O)C3CC3)cc21

BDBM50571743

O=Cc1ccc2c(c1)[nH]c1c(NC(=O)C3CC3)nccc21

BDBM50571744

COc1ccc(cc1)-c1ccc2c(c1)[nH]c1cnc(NC(=O)C3CC3)cc21

BDBM50571745

O=C(Nc1cc2c(cn1)[nH]c1cc(ccc21)-c1cccnc1)C1CC1

BDBM50571746

O=C(Nc1nccc2c1[nH]c1cc(ccc21)-c1ccccc1)C1CC1

BDBM50571747

COc1ccc(cc1)-c1ccc2c(c1)[nH]c1c(NC(=O)C3CC3)nccc21

BDBM50571748

O=C(Nc1nccc2c1[nH]c1cc(ccc21)-c1cccnc1)C1CC1

BDBM50571749

NC(=O)c1ccc2c(c1)[nH]c1cnc(NC(=O)C3CC3)cc21

BDBM50571750

NC(=O)c1ccc2c(c1)[nH]c1c(NC(=O)C3CC3)nccc21

BDBM50571751

COC(=O)c1ccc2c(c1)[nH]c1cnc(NC(=O)C3CC3)cc21

BDBM50571752

COC(=O)c1ccc2c(c1)[nH]c1c(NC(=O)C3CC3)nccc21

BDBM50573930

CC(C)c1n(C)nc2ccc(cc12)-c1ccnc(Nc2ccc3c(ccnc3c2)N2CCN(C)CC2)n1

BDBM50139171

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

BDBM50574569

O=C(NCC1CCN(Cc2ccccc2)CC1)c1n[nH]c2ccc(cc12)-c1cccnc1

BDBM50574570

Fc1ccccc1CN1CCC(CNC(=O)c2n[nH]c3ccc(cc23)-c2cccnc2)CC1

BDBM50574571

O=C(CC1CCN(Cc2ccccc2)CC1)Nc1n[nH]c2cc(ccc12)-c1cccnc1

BDBM50574572

Fc1ccccc1CN1CCC(CC(=O)Nc2n[nH]c3cc(ccc23)-c2cccnc2)CC1

BDBM50574573

Fc1ccc(CN2CCC(CC(=O)Nc3n[nH]c4cc(ccc34)-c3cccnc3)CC2)cc1

BDBM50574574

O=C(Nc1cc(ccn1)C(=O)Nc1cncc(c1)C(=O)NCC1CCN(Cc2ccccc2)CC1)C1CC1

BDBM50574575

Fc1ccccc1CN1CCC(CNC(=O)c2cncc(NC(=O)c3ccnc(NC(=O)C4CC4)c3)c2)CC1

BDBM50574576

Fc1cccc(CN2CCC(CNC(=O)c3cncc(NC(=O)c4ccnc(NC(=O)C5CC5)c4)c3)CC2)c1

BDBM50574577

Fc1ccc(CN2CCC(CNC(=O)c3cncc(NC(=O)c4ccnc(NC(=O)C5CC5)c4)c3)CC2)cc1

BDBM50574578

Fc1ccc(CN2CCC(CNC(=O)c3cncc(NC(=O)c4ccnc(NC(=O)C5CC5)c4)c3)CC2)cc1F

BDBM50574579

Clc1cccc(CN2CCC(CNC(=O)c3cncc(NC(=O)c4ccnc(NC(=O)C5CC5)c4)c3)CC2)c1

BDBM50574580

Cc1ccccc1CN1CCC(CNC(=O)c2cncc(NC(=O)c3ccnc(NC(=O)C4CC4)c3)c2)CC1

BDBM50574581

Cc1cccc(CN2CCC(CNC(=O)c3cncc(NC(=O)c4ccnc(NC(=O)C5CC5)c4)c3)CC2)c1

BDBM50574582

COc1cccc(CN2CCC(CNC(=O)c3cncc(NC(=O)c4ccnc(NC(=O)C5CC5)c4)c3)CC2)c1

BDBM50574583

O=C(Nc1cc(ccn1)C(=O)Nc1cncc(c1)C(=O)NC1CCN(Cc2ccccc2)CC1)C1CC1

BDBM50574584

Clc1cccc(CN2CCC(CC2)NC(=O)c2cncc(NC(=O)c3ccnc(NC(=O)C4CC4)c3)c2)c1

BDBM50574585

Clc1cccc(CN2CCC(CCNC(=O)c3cncc(NC(=O)c4cccc(NC(=O)C5CC5)c4)c3)CC2)c1

BDBM50574586

O=C(Nc1cc(ccn1)C(=O)Nc1cncc(OCC2CCN(Cc3ccccc3)CC2)c1)C1CC1

BDBM50574587

Fc1ccccc1CN1CCC(COc2cncc(NC(=O)c3ccnc(NC(=O)C4CC4)c3)c2)CC1

BDBM50574588

Fc1ccc(CN2CCC(COc3cncc(NC(=O)c4ccnc(NC(=O)C5CC5)c4)c3)CC2)cc1

BDBM50574589

Clc1ccccc1CN1CCC(COc2cncc(NC(=O)c3ccnc(NC(=O)C4CC4)c3)c2)CC1

BDBM50574590

O=C(Nc1cc(ccn1)C(=O)Nc1cncc(OC2CCN(Cc3ccccc3)CC2)c1)C1CC1

BDBM50574591

CC(=O)Nc1cc(ccn1)C(=O)Nc1cncc(OCC2CCN(Cc3ccc(F)cc3)CC2)c1

BDBM50574592

O=C(Nc1cc(ccn1)C(=O)Nc1cccc(OCC2CCN(Cc3ccccc3)CC2)c1)C1CC1

BDBM50574598

Fc1ccc(CN2CCC(COc3cccc(NC(=O)c4ccnc(NC(=O)C5CC5)c4)c3)CC2)cc1

BDBM50574593

CC(=O)Nc1cc(ccn1)C(=O)Nc1cccc(OCC2CCN(Cc3ccccc3)CC2)c1

BDBM50574599

CC(=O)Nc1cc(ccn1)C(=O)Nc1cccc(OCC2CCN(Cc3ccc(F)cc3)CC2)c1

BDBM50574594

Clc1cccc(CN2CCC(CNC(=O)c3cncc(NC(=O)c4ccnc5[nH]ccc45)c3)CC2)c1

BDBM50574595

O=C(NC1CCN(Cc2ccccc2)CC1)c1cncc(NC(=O)c2ccnc3[nH]ccc23)c1

BDBM50574596

Fc1ccc(CN2CCC(CC2)NC(=O)c2cncc(NC(=O)c3ccnc4[nH]ccc34)c2)cc1

BDBM50574597

O=C(Nc1cncc(OCC2CCN(Cc3ccccc3)CC2)c1)c1ccnc2[nH]ccc12

BDBM8226

COc1ccccc1C1=C(Nc2cccc(Cl)c2)C(=O)NC1=O |c:9|

BDBM50577328

COc1ccccc1C1=C(Nc2cccc(c2)C#N)C(=O)NC1=O |c:9|

BDBM50147457

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

BDBM50147464

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

BDBM50147460

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

BDBM50147466

CCn1cc(C2=C(C(=O)NC2=O)c2cn(CCCO)c3ncccc23)c2cccnc12 |t:5|

BDBM50147469

OCCCn1cc(C2=C(C(=O)NC2=O)c2cccc3ccccc23)c2cccnc12 |t:7|

BDBM50147470

OCCCn1cc(C2=C(C(=O)NC2=O)c2ccccn2)c2cccnc12 |t:7|

BDBM50147468

COc1ccccc1C1=C(C(=O)NC1=O)c1cn(CCCNS(N)(=O)=O)c2ncccc12 |t:9|

BDBM50147471

OCCCn1cc(C2=C(C(=O)NC2=O)c2cccs2)c2cccnc12 |t:7|

BDBM50147462

CN(C)CCCn1cc(C2=C(C(=O)NC2=O)c2ccccc2Cl)c2cccnc12 |t:9|

BDBM50147465

OCCCn1cc(C2=C(C(=O)NC2=O)c2ccc(F)cc2Cl)c2cccnc12 |t:7|

BDBM50147459

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

BDBM50580401

Cn1c(NCCNc2c3CCCCc3nc3ccccc23)nc(cc1=O)-c1ccncc1

BDBM50580413

Cn1c(NCCNc2c3CCCCc3nc3ccccc23)nc(cc1=O)-c1ccncn1

BDBM50580418

Cn1c(NCCNc2c3CCCCc3nc3ccccc23)nc(cc1=O)-c1ccncc1F

BDBM50580419

Cn1c(NCCNc2c3CCCCc3nc3cc(F)ccc23)nc(cc1=O)-c1ccncc1F

BDBM50580420

Cn1c(NCCNc2c3CCCCc3nc3cc(Cl)ccc23)nc(cc1=O)-c1ccncc1F

BDBM50580421

COc1ccc2c(NCCNc3nc(cc(=O)n3C)-c3ccncc3F)c3CCCCc3nc2c1

BDBM50580422

Cn1c(NCCNc2c3CCCCc3nc3ccc(Cl)cc23)nc(cc1=O)-c1ccncc1F

BDBM50580433

Cn1c(NCCCCCCNc2c3CCCCc3nc3cc(Br)ccc23)nc(cc1=O)-c1ccncc1F

BDBM50580434

Cn1c(NCCCCCCNc2c3CCCCc3nc3cc(Cl)ccc23)nc(cc1=O)-c1ccncc1F

BDBM50580435

Cn1c(NCCCCCCNc2c3CCCCc3nc3cc(F)ccc23)nc(cc1=O)-c1ccncc1F

BDBM50580436

Cn1c(NCCCCCCNc2c3CCCCc3nc3ccc(F)cc23)nc(cc1=O)-c1ccncc1F

BDBM50580437

Cn1c(NCCCCCCNc2c3CCCCc3nc3ccccc23)nc(cc1=O)-c1ccncc1F

BDBM50580438

Cc1ccc2c(NCCCCCCNc3nc(cc(=O)n3C)-c3ccncc3F)c3CCCCc3nc2c1

BDBM50580444

Cn1c(NCCCCCCCNc2c3CCCCc3nc3cc(Br)ccc23)nc(cc1=O)-c1ccncc1F

BDBM50580445

Cn1c(NCCCCCCCNc2c3CCCCc3nc3cc(Cl)ccc23)nc(cc1=O)-c1ccncc1F

BDBM50580446

Cn1c(NCCCCCCCNc2c3CCCCc3nc3cc(F)ccc23)nc(cc1=O)-c1ccncc1F

BDBM50580447

Cn1c(NCCCCCCCNc2c3CCCCc3nc3ccc(F)cc23)nc(cc1=O)-c1ccncc1F

BDBM50580448

Cn1c(NCCCCCCCNc2c3CCCCc3nc3ccccc23)nc(cc1=O)-c1ccncc1F

BDBM50580449

Cc1ccc2c(NCCCCCCCNc3nc(cc(=O)n3C)-c3ccncc3F)c3CCCCc3nc2c1

BDBM50580424

Cn1c(NCCCCNc2c3CCCCc3nc3ccccc23)nc(cc1=O)-c1ccncc1

BDBM50580425

Cn1c(NCCCCCNc2c3CCCCc3nc3ccccc23)nc(cc1=O)-c1ccncc1

BDBM50580426

Cn1c(NCCCCCCNc2c3CCCCc3nc3ccccc23)nc(cc1=O)-c1ccncc1

BDBM50580427

Cn1c(NCCCCCCCNc2c3CCCCc3nc3ccccc23)nc(cc1=O)-c1ccncc1

BDBM50580886

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

BDBM50580887

O\N=C1\C(\Nc2ccccc\12)=C1/C(=O)Nc2ccccc12

BDBM50581238

Cc1nc(NCc2ccccc2)c2c(c[nH]c2n1)-c1ccnc(N)c1

BDBM50581239

Cc1nc(NCc2cccs2)c2c(c[nH]c2n1)-c1ccnc(N)c1

BDBM50581240

Cc1nc(NCc2ccsc2)c2c(c[nH]c2n1)-c1ccnc(N)c1

BDBM50581241

Cc1nc(NCc2ccoc2)c2c(c[nH]c2n1)-c1ccnc(N)c1

BDBM50581812

C=CC(=O)N1c2ccccc2SC(CC1=O)c1cccs1

BDBM50581813

C=CC(=O)N1c2ccccc2SC(CC1=O)c1ccccc1

BDBM50581814

Fc1ccc(cc1)C1CC(=O)N(C(=O)C=C)c2ccccc2S1

BDBM50581815

Clc1ccc(cc1)C1CC(=O)N(C(=O)C=C)c2ccccc2S1

BDBM50581816

Clc1cccc(c1)C1CC(=O)N(C(=O)C=C)c2ccccc2S1

BDBM50581817

Clc1ccccc1C1CC(=O)N(C(=O)C=C)c2ccccc2S1

BDBM50581818

Brc1ccc(cc1)C1CC(=O)N(C(=O)C=C)c2ccccc2S1

BDBM50581819

Cc1ccc(cc1)C1CC(=O)N(C(=O)C=C)c2ccccc2S1

BDBM50581820

COc1ccc(cc1)C1CC(=O)N(C(=O)C=C)c2ccccc2S1

BDBM50581821

FC(F)(F)c1ccc(cc1)C1CC(=O)N(C(=O)C=C)c2ccccc2S1

BDBM50581822

FC(F)(F)c1ccccc1C1CC(=O)N(C(=O)C=C)c2ccccc2S1

BDBM50581823

COC(=O)c1ccc(cc1)C1CC(=O)N(C(=O)C=C)c2ccccc2S1

BDBM50581824

[O-][N+](=O)c1ccc(cc1)C1CC(=O)N(C(=O)C=C)c2ccccc2S1

BDBM50581825

C=CC(=O)N1c2ccccc2SC(CC1=O)c1ccc(cc1)C#N

BDBM50581826

C=CC(=O)N1c2ccccc2SC(CC1=O)c1ccc(cc1)-c1ccccc1

BDBM50581827

C=CC(=O)N1c2ccccc2SC(CC1=O)c1ccc(cc1)N1CCOCC1

BDBM50581828

C=CC(=O)N1c2ccccc2SCCC1=O

BDBM50581829

CC1CC(=O)N(C(=O)C=C)c2ccccc2S1

BDBM50581830

CCC(=O)N1c2ccccc2SC(CC1=O)c1cccs1

BDBM50581831

C=CC(=O)Nc1ccc(cc1)C1CC(=O)Nc2ccccc2S1

BDBM50581832

C=CC(=O)NCCN1c2ccccc2SC(CC1=O)c1ccccc1

BDBM50582858

Nc1ncc(nc1C(=O)Nc1cccnc1)-c1ccc(cc1)S(=O)(=O)N1CCN(CCCCc2cn(CCOCCOCCOCCOCCOCCNc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)nn2)CC1

BDBM50585161

CN(C1CCCN(CCC#N)C1)c1ncnc2[nH]c3cc(Cl)ccc3c12

BDBM50585162

Clc1ccc2c(c1)[nH]c1ncnc(N3CCC4CCN(CCC#N)CC34)c21

BDBM50585163

CN(C1CCCN(CCC#N)C1)c1ncnc2[nH]c3ccccc3c12

BDBM50585164

CN(C1CCCN(CCC#N)C1)c1ncnc2[nH]c3cc(F)ccc3c12

BDBM50585165

CN([C@@H]1CCCN(CCC#N)C1)c1ncnc2[nH]c3cc(Cl)ccc3c12 |r|

BDBM50585166

CN(c1c2c3ccc(cc3[nH]c2ncn1)Cl)[C@H]4CCCN(C4)CCC#N

BDBM50585167

CN(C1CCCN(CCC#N)C1)c1ncnc2[nH]c3cc(Br)ccc3c12

BDBM50585168

CN([C@@H]1CCCN(CCC#N)C1)c1ncnc2[nH]c3cc(Br)ccc3c12 |r|

BDBM50585169

CN([C@H]1CCCN(CCC#N)C1)c1ncnc2[nH]c3cc(Br)ccc3c12 |r|

BDBM50585170

CN(C1CCCN(CCC#N)C1)c1ncnc2[nH]c3cc(I)ccc3c12

BDBM50585171

CN(C1CCCN(CCC#N)C1)c1ncnc2[nH]c3ccc(Cl)cc3c12

BDBM50585172

CN(C1CCCN(CCC#N)C1)c1ncnc2[nH]c3ccc(Br)cc3c12

BDBM50585173

CN(C1CCCN(CCC#N)C1)c1ncnc2[nH]c3cccc(Cl)c3c12

BDBM50585174

CN(C1CCCN(CCC#N)C1)c1nc(C)nc2[nH]c3cc(Cl)ccc3c12

BDBM50585175

CN(C1CCCN(CCC#N)C1)c1ncnc2[nH]c3cc(ccc3c12)-c1ccccc1

BDBM50585176

CN(C1CCCN(CCC#N)C1)c1ncnc2[nH]c3cc(ccc3c12)-c1ccco1

BDBM50585177

COc1ccc2c(c1)[nH]c1ncnc(N(C)C3CCCN(CCC#N)C3)c21

BDBM50585178

CN(C1CCCN(CCC#N)C1)c1ncnc2[nH]c3cc(ccc3c12)C(F)(F)F

BDBM50585179

CN(C1CCCN(CCC#N)C1)c1ncnc2[nH]c3cc(ccc3c12)C#N

BDBM50585180

CN(C1CCCN(CCC#N)C1)c1ncnc2[nH]c3cc(ccc3c12)C#C

BDBM50585181

CN([C@H]1CCCN(CCC#N)C1)c1ncnc2[nH]c3cc(ccc3c12)C#C |r|

BDBM50585182

Fc1ccc2c(c1)[nH]c1ncnc(N3CCC4CCN(CCC#N)CC34)c21

BDBM50585183

Brc1ccc2c(c1)[nH]c1ncnc(N3CCC4CCN(CCC#N)CC34)c21

BDBM50585184

Ic1ccc2c(c1)[nH]c1ncnc(N3CCC4CCN(CCC#N)CC34)c21

BDBM50585185

C#Cc1ccc2c(c1)[nH]c1ncnc(N3CCC4CCN(CCC#N)CC34)c21

BDBM50586289

Cc1cnc(Nc2ccnn2C)nc1-c1cc2CN([C@H](CO)c3cccc(Cl)c3)C(=O)n2c1 |r|

BDBM50587666

NC1=NC(CC(=O)N1)c1ccc(F)cc1 |t:1|

BDBM50587667

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

BDBM167534

COc1cc(F)ccc1-c1ccnc2[nH]c(cc12)C1CCNCC1

BDBM50588261

COc1cc(ccc1-c1ccnc2[nH]c(cc12)C1CCNCC1)C(=O)N1CCCC1

BDBM50588263

CC(C)n1cc(ccc1=O)-c1ccnc2[nH]c(cc12)C1CCN(CC(=O)N(C)C)CC1

BDBM50588262

CC(C)n1cc(ccc1=O)-c1ccnc2[nH]c(cc12)C1CCN(CC(=O)N2CCCCC2)CC1

BDBM50588264

CC(C)n1cc(ccc1=O)-c1ccnc2[nH]c(cc12)C1CCN(CC(=O)N2CCCC2)CC1

BDBM50162992

CN(C)CCCn1nc(C2=C(C(=O)NC2=O)c2cn(-c3cncc4ccccc34)c3ccccc23)c2ccccc12 |t:9|

BDBM50162999

CN(C)CCCn1nc(C2=C(C(=O)NC2=O)c2cn(C=C)c3ccccc23)c2ccccc12 |t:9|

BDBM50163001

CN(C)CCCn1nc(C2=C(C(=O)NC2=O)c2cn(-c3ccccc3)c3ccccc23)c2ccccc12 |t:9|

BDBM50162993

CN(C)CCCn1nc(C2=C(C(=O)NC2=O)c2cn(-c3cccnc3)c3ccccc23)c2ccccc12 |t:9|

BDBM50162994

CN(C)CCCn1nc(C2=C(C(=O)NC2=O)c2cn(-c3cccc4ccccc34)c3ccccc23)c2ccccc12 |t:9|

BDBM50162995

O=C1NC(=O)C(=C1c1cn(-c2ccc3ccccc3c2)c2ccccc12)c1nn(CCCN2CCCC2)c2ccccc12 |c:5|

BDBM50162997

O=C1NC(=O)C(=C1c1cn(-c2cccnc2)c2ccccc12)c1[nH]nc2ccccc12 |c:5|

BDBM50163002

O=C1NC(=O)C(=C1c1cn(-c2ccc3ccccc3c2)c2ccccc12)c1nn(CCCN2CCOCC2)c2ccccc12 |c:5|

BDBM50162991

CN(C)CCCn1nc(C2=C(C(=O)NC2=O)c2cn(-c3csc4ccccc34)c3ccccc23)c2ccccc12 |t:9|

BDBM50162998

CN(C)CCCn1nc(C2=C(C(=O)NC2=O)c2cn(-c3cccs3)c3ccccc23)c2ccccc12 |t:9|

BDBM50163000

CN1CCN(CCCn2nc(C3=C(C(=O)NC3=O)c3cn(-c4ccc5ccccc5c4)c4ccccc34)c3ccccc23)CC1 |t:11|

BDBM50162990

CN(C)CCCn1nc(C2=C(C(=O)NC2=O)c2cn(-c3cnc4ccccc4c3)c3ccccc23)c2ccccc12 |t:9|

BDBM50162996

CN(C)CCCn1nc(C2=C(C(=O)NC2=O)c2cn(-c3ccc4ccccc4c3)c3ccccc23)c2ccccc12 |t:9|

BDBM50389083

Fc1ccc(-c2ccc(CSc3nnc(o3)-c3ccc4OCCOc4c3)cc2)c(c1)C#N

BDBM50133388

NC(=O)c1cc(F)ccc1-c1ccc(CSc2nnc(o2)-c2ccc3OCCOc3c2)cc1

BDBM2600

Cn1cc(C2=C(C(=O)NC2=O)c2coc3ccccc23)c2ccccc12 |t:4|

BDBM50267522

Cn1cc(C2=C(C(=O)NC2=O)c2coc3ccccc23)c2cc(F)c(Cl)cc12 |t:4|

BDBM50595033

Cn1cc(C2=C(C(=O)NC2=O)c2coc3ccccc23)c2cc(F)ccc12 |t:4|

BDBM50595034

CN(C1CCCN(C1)C(=O)CC#N)c1ncnc2[nH]c3cc(Cl)ccc3c12

BDBM50595035

CC(C)Oc1cccc(c1)-c1ccc2[nH]nc(C(=O)NCC3CCOCC3)c2c1

BDBM50595036

CC(C)Oc1cccc(c1)-c1ccc2cnc(C(=O)NCC3CCOCC3)n2c1

BDBM50595037

Nc1nccc(CNC(=O)c2ccc3NC(=O)\C(=C/Cc4cccc(c4)C(O)=O)c3c2)n1

BDBM50508432

C[S+]([O-])CCCCCCN=C=S

BDBM7853

ClCC(=O)c1cc(Cl)c(Cl)s1

Cc1ccc(s1)C(=O)CCl

ClCC(=O)c1cccs1

ClCC(=O)c1ccc(Br)s1

COc1cc2C[C@H](C)[C@H](C)Cc3cc4OCOc4c(OC)c3-c2c(OC)c1OC |r|

BDBM50595039

COc1cc2C[C@@H](C)[C@@H](C)Cc3cc4OCOc4c(OC)c3-c2c(OC)c1OC

BDBM50595040

FC(F)(F)c1ccc(\C=N\Nc2nnc3SCC(=Nn23)c2ccc(Cl)cc2)cc1 |c:17|

CCn1sc(=O)n(CC)c1=S

CCn1sc(=O)n(CC)c1=O

CCn1c(=O)sn(C)c1=O

Cn1sc(=O)n(-c2cccc3ccccc23)c1=O |(-2.2,-2.25,;-1.3,-1,;.25,-1,;.72,.46,;2.05,1.23,;-.52,1.37,;-.52,2.91,;-1.86,3.68,;-1.86,5.22,;-.52,5.99,;.75,5.22,;2.08,5.99,;3.42,5.22,;3.42,3.68,;2.08,2.91,;.75,3.68,;-1.77,.46,;-3.24,.94,)|

BDBM50595041

COc1ccc(cc1OC)-c1cc(=O)c2c(OC)c([C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(=O)N[C@H](C)C(F)(F)F)c(OC)cc2o1 |r|

BDBM50487756

c1cc(c(cc1C2=CC(=O)c3c(cc(c(c3O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O2)O)O

BDBM50595042

COc1ccc(cc1OC)-c1cc(=O)c2c(OC)c([C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(=O)NCc3ccccc3)c(OC)cc2o1 |r|

BDBM50595043

COc1ccc(cc1OC)-c1cc(=O)c2c(OC)c([C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(=O)NC3CCCC3)c(OC)cc2o1 |r|

BDBM50595044

COc1ccc(cc1OC)-c1cc(=O)c2c(OC)c([C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(=O)NC3CCCCC3)c(OC)cc2o1 |r|

BDBM50595045

COc1ccc(cc1OC)-c1cc(=O)c2c(OC)c([C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(=O)NC(C)C)c(OC)cc2o1 |r|

BDBM50595046

COc1ccc(cc1OC)-c1cc(=O)c2c(OC)c([C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(=O)N[C@@H](C)C(F)(F)F)c(OC)cc2o1 |r|

BDBM50595047

COc1ccc(cc1)N1CCN(CC1)c1cc(NCCC(O)=O)c2C(=O)c3ccccc3-c3onc1c23

BDBM50595048

OC(=O)CCNc1cc(N2CCN(CC2)c2ccc(F)cc2)c2noc3-c4ccccc4C(=O)c1c23

BDBM50595049

OC(=O)c1ccc(cc1)N1CCN(CC1)c1cc(NCCP(O)(O)=O)c2C(=O)c3ccccc3-c3onc1c23

BDBM50595050

Oc1ccc(cc1)N1CCN(CC1)c1cc(NCCP(O)(O)=O)c2C(=O)c3ccccc3-c3onc1c23

BDBM50175103

NC1=NONC1N1N=NC(C1CN1CCCCC1)c1nnc([nH]1)-c1ccncc1 |c:8,t:1|

BDBM50175102

NC1=NONC1N1NN=C(C1CN1CCCCC1)C(=O)NN=Cc1ccncc1 |w:21.23,c:9,t:1|

BDBM50599375

O=C1C=CC2(OCC(Cc3cn(nn3)-c3cccc(Cc4ccccc4)c3)C(=O)N2c2ccccc2)C=C1 |c:2,41|

BDBM50599547

Oc1ccc(C=C2C(=O)Nc3ccc(NC(=O)c4ccccc4)cc23)cc1

BDBM50599548

COC(=O)Nc1ccc2NC(=O)C(=Cc3ccc(O)cc3)c2c1

BDBM12621

COc1ccc(c(c1C(=O)c2cnc(nc2N)NC3CCN(CC3)S(=O)(=O)C)F)F

BDBM50584000

Cn1cc(cn1)-n1cnc2c(NCc3nc4cc(Cl)c(Cl)cc4[nH]3)nc(nc12)N1CCOCC1

BDBM50601417

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

BDBM50601414

COc1ccc(cc1Cl)-c1ocnc1C(=O)NCCCn1cncn1

BDBM50601448

Brc1ccc2NC(=O)\C(=N/NC(=O)c3cc4cc(Br)ccc4o3)c2c1

BDBM50601449

COc1ccc2NC(=O)\C(=N/NC(=O)c3cc4cc(Br)ccc4o3)c2c1

BDBM50183835

COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)[C@H](C)C(N)=O

BDBM50183842

COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN1CCC[C@H]1C(N)=O

BDBM50183857

CO[C@@H]1C[C@@H](N(Cc2cc3c(Nc4cccc(Cl)c4F)ncnc3cc2OC)C1)C(N)=O

BDBM50183856

COCCN1CC(C1)(N(C)Cc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC)C(N)=O

BDBM50183862

COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)[C@@H](C)C(N)=O

BDBM50183852

COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)CC(N)=O

BDBM50183851

COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN1CCC[C@@H]1C(=O)N(C)C

BDBM50183837

COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1CN1CCC[C@@H]1C(N)=O

BDBM50183840

COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)C1(CN(C1)C(C)C)C(N)=O

BDBM50183854

CNC(=O)[C@@H](C)N(C)Cc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC

BDBM50183860

COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)[C@H](C)C(=O)N(C)C

BDBM50183844

COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)[C@@H](CO)C(N)=O

BDBM50183859

COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN1CC[C@@H](C1)C(N)=O

BDBM50183853

COCC[C@H](N(C)Cc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC)C(N)=O

BDBM50183864

COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN1CCCC[C@@H]1C(N)=O

BDBM50183850

COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN1CCC[C@@H]1C(N)=O

BDBM50183861

COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN1CCC1C(N)=O

BDBM50183841

COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)C1CCNC1=O

BDBM50183832

COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN1CCCC1

BDBM50183846

COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)C1(CCN(CC1)C(C)C)C(N)=O

BDBM50183836

COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN1CC(C1)C(N)=O

BDBM50183863

COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1CN1CCC[C@H]1C(N)=O

BDBM50183858

COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)C1(CCN(C)CC1)C(N)=O

BDBM50183847

COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)C1(CN(C)C1)C(N)=O

BDBM50183831

COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN1CCOCC1C(N)=O

BDBM50183848

COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)[C@@H](CN(C)C)C(N)=O

BDBM50183834

COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN[C@H](C)C(N)=O

BDBM50183855

COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(CCN(C)C)[C@@H](C)C(N)=O

BDBM50183833

COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN1CCC[C@H]1CC(N)=O

BDBM50183849

COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C(C)C)[C@@H](C)C(N)=O

BDBM50183838

COCCN(Cc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC)[C@@H](C)C(N)=O

BDBM50183839

COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN1CCN(C)CC1C(N)=O

BDBM50183845

CNC(=O)[C@H]1CCCN1Cc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC

BDBM50183843

COC[C@H](N(C)Cc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC)C(N)=O

BDBM50602863

C(Nc1nc(Nc2cc([nH]n2)C2CC2)c2sccc2n1)c1ccccc1

BDBM50603120

Fc1ccccc1CN1CCC(CCNC(=O)c2ccc3c(c2)[nH]c2c(NC(=O)C4CC4)nccc32)CC1

BDBM50543600

Cc1cc(Nc2cc(Cl)nc(Oc3ccc(cc3)[N+]([O-])=O)n2)n[nH]1

BDBM50603678

CC(C)C[C@H](N)c1cc(C#N)c2cc(ccc2n1)-c1ccncc1 |r|

BDBM4078

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

BDBM50186460

Cc1cc(c(cc1Sc2cnc(s2)NC(=O)c3ccc(cc3)CN[C@@H](C)C(C)(C)C)C(=O)N4CCN(CC4)C(=O)C)OC

BDBM50605473

Nc1ccc2cc3cnccc3c([N+]([O-])=O)c2n1

BDBM50587785

CCCNc1ccc2ncc(-c3ccc4[nH]ncc4c3)n2n1

BDBM50408385

NCCCCOc1ccc2NC(=O)CC3C(Nc4ccc(Br)cc34)c2c1

BDBM50293150

CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2cnn3ncccc23)cc1C(F)(F)F

BDBM50421673

CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2ccnc(Cl)c2)cc1C(F)(F)F

BDBM50421676

CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2ccccc2)cc1C(F)(F)F

BDBM50421683

CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2cccc(Cl)c2)cc1C(F)(F)F

BDBM50421686

CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2cccc(c2)[N+]([O-])=O)cc1C(F)(F)F

BDBM50608299

Cn1cc(-c2[nH][nH]c(=O)c2-c2cn(C)c3ccccc23)c2ccccc12 |(4.06,-1.89,;3.29,-.56,;1.76,-.39,;1.43,1.1,;.1,1.87,;.1,3.4,;-1.39,3.87,;-2.27,2.65,;-3.8,2.65,;-1.35,1.41,;-1.75,-.07,;-.67,-1.15,;-1.39,-2.54,;-.63,-3.87,;-2.87,-2.3,;-4.07,-3.26,;-5.51,-2.69,;-5.74,-1.18,;-4.54,-.21,;-3.1,-.77,;2.76,1.87,;3.1,3.39,;4.6,3.86,;5.74,2.8,;5.41,1.27,;3.91,.81,)|

BDBM50195879

Nc1ncc(-c2cccc(c2)S(N)(=O)=O)c2scc(-c3ccc(F)c(Cl)c3)c12

BDBM50195876

Nc1ncc(-c2cccc(c2)S(N)(=O)=O)c2occ(-c3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)c12

BDBM50608894

Oc1ccc2n(CC#N)c3c4cccn4c4C(=O)NC(=O)c4c3c2c1

BDBM50608903

[H][C@]12C[C@]34CN5CCC3C(=C[C@@](O)(CC\C=C/CCCC5)[C@]4([H])N1CCCC\C=C/2)c1nccc2c3cccc(O)c3[nH]c12 |c:10,16,32|

BDBM50597836

CC(C)Oc1ccc(F)c(c1)-c1cnc(N)c(n1)C(=O)Nc1cnccc1N1CCCC(C1)C(O)=O

BDBM50367664

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

BDBM50609132

Nc1nonc1-n1nnc(C(=O)\N=N\Cc2ccncc2)c1CN1CCCCC1

BDBM50609389

CN(Cc1ccccc1)Cc1c2O\C(=C/c3ccc4OCOc4c3)C(=O)c2ccc1O

BDBM50609390

Fc1cccc(COc2ccc3C(=O)\C(Oc3c2)=C\c2c[nH]c3ncccc23)c1

BDBM50610375

Cc1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1

BDBM50610376

FC(F)(F)c1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1

BDBM50610377

CC(=C)c1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1

BDBM50610378

CC(C)c1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1

BDBM50610379

O=C(Nc1cc(ccn1)C(=O)Nc1cnccc1C1CCC1)C1CC1

BDBM50610380

O=C(Nc1cc(ccn1)C(=O)Nc1cnccc1C1CCCC1)C1CC1

BDBM50610381

O=C(Nc1cc(ccn1)C(=O)Nc1cnccc1C1CCCCC1)C1CC1

BDBM50610382

CC(=O)c1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1

BDBM50610383

CC(O)c1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1

BDBM50610384

CC(C)(O)c1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1

BDBM50610385

FC(F)(F)C(=O)c1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1

BDBM50610386

OC(c1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1)C(F)(F)F

BDBM50610387

O=C(Nc1cc(ccn1)C(=O)Nc1cnccc1N1CCOCC1)C1CC1

BDBM50610388

O=C(Nc1cc(ccn1)C(=O)Nc1cnccc1N1CCCCC1)C1CC1

BDBM50610389

FC1(F)CCN(CC1)c1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1

BDBM50610390

C[C@@H]1COCCN1c1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1 |r|

BDBM50610391

C[C@H]1COCCN1c1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1 |r|

BDBM50610392

C[C@@H]1CN(CCO1)c1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1 |r|

BDBM50610393

C[C@H]1CN(CCO1)c1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1 |r|

BDBM50610394

C[C@H]1CN(C[C@@H](C)O1)c1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1 |r|

BDBM50610395

CC1(C)CN(CCO1)c1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1

BDBM50610396

CC1(C)COCCN1c1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1

BDBM50610397

Cc1cncc(NC(=O)c2ccnc(NC(=O)C3CC3)c2)c1

BDBM50610398

O=C(Nc1cc(ccn1)C(=O)Nc1cncc(c1)C1CCC1)C1CC1

BDBM50610399

O=C(Nc1cc(ccn1)C(=O)Nc1cncc(c1)-c1ccccc1)C1CC1

BDBM50610400

O=C(Nc1cc(ccn1)C(=O)Nc1cncc(Oc2ccccc2)c1)C1CC1

BDBM50610401

O=C(Nc1cc(ccn1)C(=O)Nc1cncc(c1)N1CCCCC1)C1CC1

BDBM50610402

O=C(Nc1cc(ccn1)C(=O)Nc1cncc(c1)N1CCOCC1)C1CC1

BDBM50610403

Fc1ccc(cc1)-c1cncc(NC(=O)c2ccnc(NC(=O)C3CC3)c2)c1

BDBM50610404

Fc1ccccc1-c1cncc(NC(=O)c2ccnc(NC(=O)C3CC3)c2)c1

BDBM50610405

Fc1ccc(F)c(c1)-c1cncc(NC(=O)c2ccnc(NC(=O)C3CC3)c2)c1

BDBM50610406

Fc1cccc(c1F)-c1cncc(NC(=O)c2ccnc(NC(=O)C3CC3)c2)c1

BDBM50610407

O=C(Nc1cc(ccn1)C(=O)Nc1cncc(c1)-c1ccncc1)C1CC1

BDBM50610408

Clc1cncc(c1)-c1cncc(NC(=O)c2ccnc(NC(=O)C3CC3)c2)c1

BDBM50610409

Cc1ccc(cn1)-c1cncc(NC(=O)c2ccnc(NC(=O)C3CC3)c2)c1

BDBM50610410

CC(C)C(=O)Nc1cc(ccn1)C(=O)Nc1cnccc1-c1ccccc1

BDBM50610411

CC(C)C(=O)Nc1cc(ccn1)C(=O)Nc1cnccc1-c1ccc(Cl)cc1

BDBM50610412

CC(C)C(=O)Nc1cc(ccn1)C(=O)Nc1cncc(c1)-c1ccccc1F

BDBM50610413

CC(C)C(=O)Nc1cc(ccn1)C(=O)Nc1cncc(c1)-c1cc(F)ccc1F

BDBM50610414

CC(C)C(=O)Nc1cc(ccn1)C(=O)Nc1cnccc1OCCN1CCOCC1

BDBM50610415

CC(C)C(=O)Nc1cc(ccn1)C(=O)Nc1cnccc1OCCC(C)(C)O

BDBM50610416

CC(C)C(=O)Nc1cc(ccn1)C(=O)Nc1cnccc1OCC(C)(F)F

BDBM50610417

CC(C)C(=O)Nc1cc(ccn1)C(=O)Nc1cnccc1OCC(F)(F)F

BDBM50610418

CC(C)C(=O)Nc1cc(ccn1)C(=O)Nc1cnccc1OCC(F)F

BDBM50610419

CC(F)C(=O)Nc1cc(ccn1)C(=O)Nc1cnccc1-c1ccccc1

BDBM50610420

CC(C)(C)C(=O)Nc1cc(ccn1)C(=O)Nc1cncc(c1)-c1cccc(F)c1F

BDBM50610421

CC(C)(C)C(=O)Nc1cc(ccn1)C(=O)Nc1cnccc1N1CCC(F)(F)CC1

BDBM50610422

CCOc1ccncc1NC(=O)c1ccnc(NC(=O)C2CCC2)c1

BDBM50610423

O=C(Nc1cc(ccn1)C(=O)Nc1cnccc1-c1ccccc1)C1CCC1

BDBM50610424

CC1(C)CC(C1)C(=O)Nc1cc(ccn1)C(=O)Nc1cnccc1-c1ccccc1

BDBM50610425

FC1(F)CC(C1)C(=O)Nc1cc(ccn1)C(=O)Nc1cnccc1-c1ccccc1

BDBM50610426

FC1(F)CC(C1)C(=O)Nc1cc(ccn1)C(=O)Nc1cncc(c1)-c1ccccc1

BDBM50610427

FC1(F)CCN(CC1)c1ccncc1NC(=O)c1ccnc(NC(=O)[C@H]2C[C@H](Cl)C2)c1 |r,wU:25.26,wD:27.29,(2.56,-2.55,;3.33,-1.21,;4.1,-2.55,;2,-.44,;2,1.1,;3.33,1.87,;4.67,1.1,;4.67,-.44,;3.33,3.41,;4.66,4.18,;4.66,5.72,;3.33,6.49,;2,5.72,;2,4.18,;.66,3.41,;-.67,4.18,;-.67,5.72,;-2.01,3.41,;-3.33,4.18,;-4.67,3.41,;-4.67,1.86,;-3.33,1.1,;-3.33,-.44,;-2,-1.21,;-.66,-.44,;-2,-2.75,;-.89,-3.86,;-1.98,-4.95,;-1.98,-6.49,;-3.09,-3.84,;-2.01,1.87,)|

BDBM50610428

FC1(F)CCN(CC1)c1ccncc1NC(=O)c1ccnc(NC(=O)[C@@H]2C[C@H](Cl)C2)c1 |r,wU:25.26,27.29,(4.1,-2.55,;3.33,-1.21,;2.56,-2.55,;2,-.44,;2,1.1,;3.33,1.87,;4.67,1.1,;4.67,-.44,;3.33,3.41,;4.66,4.18,;4.66,5.72,;3.33,6.49,;2,5.72,;2,4.18,;.66,3.41,;-.67,4.18,;-.67,5.72,;-2.01,3.41,;-3.33,4.18,;-4.67,3.41,;-4.67,1.86,;-3.33,1.1,;-3.33,-.44,;-2,-1.21,;-.66,-.44,;-2,-2.75,;-3.09,-3.84,;-1.98,-4.95,;-1.98,-6.49,;-.89,-3.86,;-2.01,1.87,)|

BDBM50610429

F[C@H]1C[C@@H](C1)C(=O)Nc1cc(ccn1)C(=O)Nc1cnccc1-c1ccc(Cl)cc1 |r,wU:3.5,wD:1.0,(-1.98,-6.49,;-1.98,-4.95,;-.89,-3.86,;-2,-2.75,;-3.09,-3.84,;-2,-1.21,;-.66,-.44,;-3.33,-.44,;-3.33,1.1,;-2.01,1.87,;-2.01,3.41,;-3.33,4.18,;-4.67,3.41,;-4.67,1.86,;-.67,4.18,;-.67,5.72,;.66,3.41,;2,4.18,;2,5.72,;3.33,6.49,;4.66,5.72,;4.66,4.18,;3.34,3.41,;3.34,1.87,;2,1.09,;2,-.45,;3.33,-1.21,;3.33,-2.75,;4.67,-.44,;4.67,1.1,)|

BDBM50610430

F[C@H]1C[C@H](C1)C(=O)Nc1cc(ccn1)C(=O)Nc1cnccc1-c1ccc(Cl)cc1 |r,wU:3.5,1.0,(-1.98,-6.49,;-1.98,-4.95,;-3.09,-3.84,;-2,-2.75,;-.89,-3.86,;-2,-1.21,;-.66,-.44,;-3.33,-.44,;-3.33,1.1,;-2.01,1.87,;-2.01,3.41,;-3.33,4.18,;-4.67,3.41,;-4.67,1.86,;-.67,4.18,;-.67,5.72,;.66,3.41,;2,4.18,;2,5.72,;3.33,6.49,;4.66,5.72,;4.66,4.18,;3.34,3.41,;3.34,1.87,;2,1.09,;2,-.45,;3.33,-1.21,;3.33,-2.75,;4.67,-.44,;4.67,1.1,)|

BDBM50610431

CCOc1ccncc1NC(=O)c1ccnc(NC(=O)C2CCCC2)c1

BDBM50610432

O=C(Nc1cc(ccn1)C(=O)Nc1cnccc1-c1ccccc1)C1CCCC1

BDBM50610433

O=C(Nc1cc(ccn1)C(=O)Nc1cncc(c1)-c1ccccc1)C1CCCC1

BDBM50610434

O[C@@H]1CC[C@H](C1)C(=O)Nc1cc(ccn1)C(=O)Nc1cnccc1-c1ccccc1 |r|

BDBM50610435

FC1(F)CCC(C1)C(=O)Nc1cc(ccn1)C(=O)Nc1cnccc1-c1ccc(Cl)cc1

BDBM50610436

Fc1ccccc1-c1cncc(NC(=O)c2ccnc(NC(=O)C3CCC(F)(F)C3)c2)c1

BDBM50610437

Fc1cccc(c1F)-c1cncc(NC(=O)c2ccnc(NC(=O)C3CCC(F)(F)C3)c2)c1

BDBM50610438

FC1(F)CCC(C1)C(=O)Nc1cc(ccn1)C(=O)Nc1cncc(c1)-c1ccccc1Cl

BDBM50610439

O=C(Nc1cc(ccn1)C(=O)Nc1cnccc1-c1ccccc1)C1CCOCC1

BDBM50611421

Brc1cc2c([nH]1)C(=O)NCCC2=C1NC(=N)NC1=O

BDBM50611755

C[C@@H]1CCN(C[C@@H]1n1ccc2cnc3[nH]ccc3c12)C(=O)CC#N |r|

BDBM50110183

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

BDBM50022257

c1n[nH]c2ccc(cc12)-c1ccccc1

BDBM50466843

COc1ccc2c3ccnc(c3n(c2c1)CC#N)Cl

BDBM50613084

COC1=CC2C3C(NC2=O)=Cc2ccc(OC)cc2C3=C1OC |c:10,22,t:2|

BDBM50081174

COc1cc(ccc1Nc1nccc(n1)-c1cn(C)c2cnccc12)N1CCN(C)CC1

BDBM50248942

C(CN1CCCCC1)Oc1cccc(c1)-c1n[nH]c2ccc(cc12)-c1nnc[nH]1

BDBM50097869

c1ccc2c(c1)c3c(c4cccc(c4[nH]3)I)c(n2)C(=O)O

BDBM50335638

c1cc(cc(c1)Cl)Nc2c3ccncc3c4ccc(cc4n2)C(=O)O

BDBM50466858

Oc1ccc(cc1O)-c1cnc2[nH]cc(-c3ccc(F)cc3)c2c1

BDBM50613085

Clc1cccc(Cl)c1NC1=NC(=O)\C(S1)=C\c1ccc2nccnc2c1 |t:10|

BDBM50585045

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

BDBM50585046

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

BDBM50435473

CCOC(=O)c1c(C(C=N)C#N)c2ccc(Cl)c(Cl)c2n1C

BDBM50571338

Oc1ccc(cc1)-c1n[nH]c2ncc(cc12)-c1ccc(O)c(O)c1

BDBM518835

CCNc1cc(Nc2ccc(cc2OC)C(=O)N2CCC(CC2)N2CCOCC2)nc2[nH]cc(c12)C(F)(F)F

BDBM50347750

O=C1NC(Nc2ccccc2)=NC1=Cc1ccc2OCOc2c1 |w:13.15,c:11|

BDBM50613086

O=C1NC(NC2CCCCCC2)=N\C1=C/c1ccc2ncsc2c1 |c:12|

BDBM50613087

O=C1NC(NC23CC4CC(CC(C4)C2)C3)=N\C1=C/c1ccc2ncsc2c1 |c:17,TLB:8:9:13:7.12.6,THB:8:7:14.9.10:13,10:9:12.11.13:6,10:11:14.9.8:6|

BDBM50589392

CC(C)CC(=O)Nc1cncc(c1)-c1ccc2[nH]nc(-c3nc4cncc(-c5cccc(F)c5)c4[nH]3)c2c1

BDBM50530417

CC(C)n1c(C)nc2ccc(nc12)-c1cc(N)nc(N)c1

BDBM50583755

Cc1nc2ccc(nc2n1CC(F)(F)F)-c1cc(N)nc(N)c1

BDBM50613088

Oc1ccc(\C=C2/Sc3ccc(cc3NC2=O)S(=O)(=O)Cc2c(Cl)cccc2Cl)cc1[N+]([O-])=O

BDBM50613089

CN(C)C\C=C\C(=O)N1CCCC[C@@H](C1)N1C(NC(=O)c2ccnc(C)c2)Nc2cccc(C)c12 |r|

BDBM50613090

CC(=O)c1nccc2c3ccccc3[nH]c12

BDBM29608

CC(C)(c1ccc(cc1)O)c2ccc(cc2)O

BDBM50170723

NC(NC(N)=Nc1ccc(Cl)cc1)=NCCCCCCN=C(N)N=C(N)Nc1ccc(Cl)cc1 |w:13.14,20.20,23.23,5.5|

BDBM50543394

CN(c1cccc(C)c1)c1nccc(n1)-c1cnn2ncccc12

BDBM50567047

CN(C)c1nccc(n1)-c1cnn2ncccc12

BDBM50613091

COc1ccc2c(c1)c(c3cc(cc(c3n2)CO)OC)SC[C@H]4CCNC4

BDBM50140172

COc1c(ccc(c1)/C=C/C(=O)CC(=O)/C=C/c2cc(c(cc2)O)OC)O

BDBM50552555

Cc1ccc(c(c1)[N+]([O-])=O)-n1cc(COc2cccc3cnc(Nc4cccc(Cl)c4)nc23)nn1

BDBM50155426

c1cc(c2c(c1O)C(=O)c3c(cc(cc3O2)O)O)O

BDBM50466857

COc1ccc(\C=C2/SC(=S)NC2=O)cc1C#C[Si](C)(C)C

BDBM50070942

c1c(cc(c(c1O)O)O)[C@@H]2[C@@H](Cc3c(cc(cc3O2)O)O)OC(=O)c4cc(c(c(c4)O)O)O

BDBM50613092

O=C(Nc1ccc2[nH]ncc2c1)c1csc(Nc2ccccc2)n1

BDBM50613093

COc1ccc(cc1)-n1c(C)c([N+]([O-])=O)c2ccc(O)cc12

BDBM50445253

CCN1c2cc(ccc2S/C1=CC(=O)C)O

BDBM50407809

COc1ccc2c(c1)c(c3cc(ccc3n2)OC)SCCCN

BDBM50292406

CN1C(N)=NC(=Cc2ccc3OCOc3c2)C1=O |w:6.6,c:3|

BDBM50326053

C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)N(C)C(=O)c9ccccc9)OC

BDBM50560704

Cn1cc(cn1)-c1ccc2occ(-c3cccc(c3)-c3ccncc3)c2n1

BDBM50316226

NC(=O)c1cccc2cn(nc12)-c1ccc(cc1)[C@@H]1CCCNC1 |r|

BDBM50613094

CCOc1ccc2nc(N3CCCN(CC3)C(=S)Nc3ccccc3F)c(cc2c1)C#N

BDBM50613095

COc1ccc2sc(nc2c1)-c1cncc(NC(C)=O)c1

BDBM50446130

CNCc1ccc(cc1)c2c3c4c(cc(cc4[nH]2)F)C(=O)NCC3

BDBM50613096

CC(=O)c1c(ccc(c1CCc2ccc(c(c2)OC)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O

BDBM50613097

CN1CCN(CC1)C(=O)C(C)(C)c1ccc(cc1)C(=O)Cc1cn2cc(ccc2n1)-c1ccncc1

BDBM50613098

CCN(CC)Cc1ccc(OC)c(c1)-c1cc2c(ccnc2[nH]1)-c1ccc(C(O)=O)c(c1)C(C)C

BDBM50613243

C[S+]([O-])c1ccc(cc1)-c1coc2ccc(cc12)-c1nnc(C)o1

BDBM50613244

CC(C)OCCCC(=O)c1n[nH]cc1NC(=O)c1ccccc1

BDBM50613306

N#CCc1ccc(Nc2nccc(Nc3cc([nH]n3)C3CC3)n2)cc1

BDBM50613307

O=C1NCCc2ccc(Nc3nccc(Nc4cc1[nH]n4)n3)cc2

BDBM50613309

O=C1NCCCCCNc2nccc(Nc3cc1[nH]n3)n2

BDBM50613372

NC(=O)c1cnc(Nc2cccc(O)n2)cc1Nc1ccccc1Cl

BDBM50613395

O=C(Nc1cc(ccn1)C(=O)Nc1cccnc1)C1CC1

BDBM50613396

Fc1ncccc1NC(=O)c1ccnc(NC(=O)C2CC2)c1

BDBM50613397

Oc1ncccc1NC(=O)c1ccnc(NC(=O)C2CC2)c1

BDBM50613398

Clc1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1

BDBM50613392

O=C(Nc1cc(ccn1)C(=O)Nc1cnccc1-c1ccccc1)C1CC1

BDBM50613399

FC(F)(F)COc1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1

BDBM50613400

CCOc1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1

BDBM50613401

O=C(Nc1cc(ccn1)C(=O)Nc1cnccc1Oc1ccccc1)C1CC1

BDBM50613402

CC(C)(C)COc1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1

BDBM50613403

O=C(Nc1cc(ccn1)C(=O)Nc1cnccc1OCC1CC1)C1CC1

BDBM50613404

OCCOc1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1

BDBM50613405

Fc1ccccc1-c1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1

BDBM50613406

Fc1cccc(c1)-c1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1

BDBM50613393

Fc1ccc(cc1)-c1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1

BDBM50613407

COc1ccc(cc1)-c1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1

BDBM50613408

FC(F)(F)Oc1ccc(cc1)-c1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1

BDBM50613409

O=C(Nc1cc(ccn1)C(=O)Nc1cnccc1-c1ccc(cc1)C#N)C1CC1

BDBM50613394

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

BDBM50613410

FC(F)Oc1ccc(cc1)-c1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1

BDBM50613411

Cc1ccc(cc1)-c1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1

BDBM50613412

CC(C)(C)c1ccc(cc1)-c1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1

BDBM50613413

FC(F)(F)c1ccccc1-c1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1

BDBM50613414

Clc1ccccc1-c1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1

BDBM50613415

Fc1ccc(c(F)c1)-c1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1

BDBM50613416

Clc1ccc(c(Cl)c1)-c1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1

BDBM50613417

Fc1ccc(c(Cl)c1)-c1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1

BDBM50613418

Fc1ccc(-c2ccncc2NC(=O)c2ccnc(NC(=O)C3CC3)c2)c(c1)C(F)(F)F

BDBM50613419

Fc1cc(Cl)ccc1-c1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1

BDBM50613420

Fc1ccc(F)c(c1)-c1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1

BDBM50613421

Fc1cccc(c1F)-c1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1

BDBM50613422

O=C(Nc1cc(ccn1)C(=O)Nc1cccnc1C#N)C1CC1

BDBM50613423

CC(C)Oc1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1

BDBM50613424

C[S@+]([O-])c1ccc(cc1)-c1coc2ccc(cc12)-c1nnc(C)o1 |r|

BDBM50613425

CC(C)OCCCNC(=O)c1n[nH]cc1NC(=O)c1ccc(C)nc1

BDBM50613667

Cn1cc(C2C(C(=O)NC2=O)c2coc3ccccc23)c2cc(Br)ccc12

BDBM8246

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

BDBM50614533

O=C1N[C@H]2C[C@@H](C2)OCc2cccc(Nc3cc([nH]n3)[C@H]3CC[C@H](C3)O1)n2 |r,wU:3.2,wD:20.21,23.27,5.7,(7.26,-1.73,;5.36,-1.73,;4.16,-3.17,;1.23,-3.1,;-.12,-3.88,;-.89,-2.55,;.46,-1.77,;-2.38,-2.15,;-3.87,-2.54,;-4.95,-1.44,;-6.49,-1.44,;-7.26,-.12,;-6.5,1.22,;-4.95,1.22,;-4.18,2.55,;-2.64,2.55,;-1.61,1.41,;-.21,2.03,;-.37,3.56,;-1.87,3.88,;1.06,1.19,;.89,-.34,;2.29,-.99,;3.33,.15,;2.57,1.49,;4.83,-.19,;-4.18,-.12,)|

BDBM50614613

CCOC(=O)c1sc(nc1OCCF)-c1ccnc(NC(=O)C2CC2)c1

BDBM50614614

CCOC(=O)c1sc(nc1OCCOCCF)-c1ccnc(NC(=O)C2CC2)c1

BDBM50614615

CCOC(=O)c1sc(nc1OCCOCCOCCF)-c1ccnc(NC(=O)C2CC2)c1

BDBM50614616

CNC(=O)c1sc(nc1OCCF)-c1ccnc(NC(=O)C2CC2)c1

BDBM50614617

CNC(=O)c1sc(nc1OCCOCCF)-c1ccnc(NC(=O)C2CC2)c1

BDBM50614618

CN(C)C(=O)c1sc(nc1OCCF)-c1ccnc(NC(=O)C2CC2)c1

BDBM50614619

CN(C)C(=O)c1sc(nc1OCCOCCF)-c1ccnc(NC(=O)C2CC2)c1

BDBM50614620

CN(C)C(=O)c1sc(nc1OCCOCCOCCF)-c1ccnc(NC(=O)C2CC2)c1

BDBM50614621

FCCNC(=O)c1sc(nc1OCC1CC1)-c1ccnc(NC(=O)C2CC2)c1

BDBM50614622

FC1CN(C1)C(=O)c1sc(nc1OCC1CC1)-c1ccnc(NC(=O)C2CC2)c1

BDBM50614711

CC(=O)Nc1ccc2NC(=O)\C(=C\c3ccc(O)cc3)c2c1

BDBM50614712

COC(=O)Nc1ccc2NC(=O)\C(=C\c3ccc(O)cc3)c2c1

BDBM50614713

Oc1ccc(\C=C2\C(=O)Nc3ccc(NC(=O)c4ccccc4)cc23)cc1

BDBM50131995

Oc1ccc(\C=C2\C(=O)Nc3ccccc23)cc1

BDBM50614714

COc1cc(\C=C2\C(=O)Nc3ccc(NC(C)=O)cc23)cc(OC)c1OC

BDBM50614715

COC(=O)Nc1ccc2NC(=O)\C(=C\c3ccc(cc3)[N+]([O-])=O)c2c1

BDBM50614716

Nc1ccc(CC2C(=O)Nc3ccccc23)cc1

BDBM50614717

O=C1Nc2ccccc2C1Cc1cccnc1

BDBM50614718

CC(=O)Nc1ccc2NC(=O)\C(=C\c3cccnc3)c2c1

BDBM50614719

[O-][N+](=O)c1ccc2NC(=O)\C(=C\c3cccnc3)c2c1

BDBM50614720

Nc1ccc2NC(=O)C(Cc3ccccn3)c2c1

BDBM50614721

CN1C(=O)\C(=C\c2ccccn2)c2ccccc12

BDBM50614722

Cn1cc(\C=C2\C(=O)Nc3ccccc23)cn1

BDBM50614723

Cc1n[nH]cc1\C=C1\C(=O)Nc2ccccc12

BDBM50614724

[O-][N+](=O)c1ccc2NC(=O)\C(=C\c3ccco3)c2c1

BDBM50614725

Cc1ccc(cc1)C(=O)CC1(O)C(=O)Nc2ccc(NC(=O)c3ccccc3)cc12

BDBM50614726

COCC(=O)c1[nH]ncc1\C=C1/C(=O)Nc2ccccc12

BDBM50614727

CCOC(=O)c1[nH]ncc1\C=C1/C(=O)Nc2ccc(cc12)[N+]([O-])=O

BDBM50613373

Cc1cccc(Nc2cc(Nc3ccccc3Cl)c(cn2)C(N)=O)n1

BDBM50508267

O=C1NC(=O)C(=C1c1cn(CCCn2ccnc2)c2ccccc12)c1ccccc1 |c:5|

BDBM50617440

[O-][N+](=O)c1ccccc1C1=C(C(=O)NC1=O)c1cn(CCCn2ccnc2)c2ccccc12 |t:10|

BDBM50617441

Cc1ccccc1C1=C(C(=O)NC1=O)c1cn(CCCn2ccnc2)c2ccccc12 |t:8|

BDBM50617442

COc1ccccc1C1=C(C(=O)NC1=O)c1cn(CCCn2ccnc2)c2ccccc12 |t:9|

BDBM50617443

Fc1ccccc1C1=C(C(=O)NC1=O)c1cn(CCCn2ccnc2)c2ccccc12 |t:8|

BDBM50617444

Cc1ccc(cc1)C1=C(C(=O)NC1=O)c1cn(CCCn2ccnc2)c2ccccc12 |t:8|

BDBM50617445

COc1ccc(cc1)C1=C(C(=O)NC1=O)c1cn(CCCn2ccnc2)c2ccccc12 |t:9|

BDBM50617446

Fc1ccc(cc1)C1=C(C(=O)NC1=O)c1cn(CCCn2ccnc2)c2ccccc12 |t:8|

BDBM50617447

O=C1NC(=O)C(=C1c1c[nH]c2ccccc12)c1cn(CCCn2ccnc2)c2ccccc12 |c:5|

BDBM50617448

O=C1NC(=O)C(=C1c1cn(CCCn2ccnc2)c2ccccc12)c1ccc2ccccc2c1 |c:5|

BDBM50617449

Cc1ccc2n(CCCn3ccnc3)cc(C3=C(C(=O)NC3=O)c3ccccc3[N+]([O-])=O)c2c1 |t:17|

BDBM50617450

Cc1ccc2n(CCCn3ccnc3)cc(C3=C(C(=O)NC3=O)c3ccccc3C)c2c1 |t:17|

BDBM50617451

COc1ccccc1C1=C(C(=O)NC1=O)c1cn(CCCn2ccnc2)c2ccc(C)cc12 |t:9|

BDBM50617452

Cc1ccc2n(CCCn3ccnc3)cc(C3=C(C(=O)NC3=O)c3ccccc3F)c2c1 |t:17|

BDBM50617453

Cc1ccc(cc1)C1=C(C(=O)NC1=O)c1cn(CCCn2ccnc2)c2ccc(C)cc12 |t:8|

BDBM50617454

COc1ccc(cc1)C1=C(C(=O)NC1=O)c1cn(CCCn2ccnc2)c2ccc(C)cc12 |t:9|

BDBM50617455

Cc1ccc2n(CCCn3ccnc3)cc(C3=C(C(=O)NC3=O)c3ccc(F)cc3)c2c1 |t:17|

BDBM50617456

Cc1ccc2n(CCCn3ccnc3)cc(C3=C(C(=O)NC3=O)c3ccc4ccccc4c3)c2c1 |t:17|

BDBM50617457

COc1ccc2n(CCCn3ccnc3)cc(C3=C(C(=O)NC3=O)c3ccccc3[N+]([O-])=O)c2c1 |t:18|

BDBM50617458

COc1ccc2n(CCCn3ccnc3)cc(C3=C(C(=O)NC3=O)c3ccccc3C)c2c1 |t:18|

BDBM50617459

COc1ccc2n(CCCn3ccnc3)cc(C3=C(C(=O)NC3=O)c3ccccc3OC)c2c1 |t:18|

BDBM50617460

COc1ccc2n(CCCn3ccnc3)cc(C3=C(C(=O)NC3=O)c3ccccc3F)c2c1 |t:18|

BDBM50617461

COc1ccc2n(CCCn3ccnc3)cc(C3=C(C(=O)NC3=O)c3ccc(C)cc3)c2c1 |t:18|

BDBM50617462

COc1ccc(cc1)C1=C(C(=O)NC1=O)c1cn(CCCn2ccnc2)c2ccc(OC)cc12 |t:9|

BDBM50617463

COc1ccc2n(CCCn3ccnc3)cc(C3=C(C(=O)NC3=O)c3ccc(F)cc3)c2c1 |t:18|

BDBM50617464

COc1ccc2n(CCCn3ccnc3)cc(C3=C(C(=O)NC3=O)c3ccc4ccccc4c3)c2c1 |t:18|

BDBM50617465

Brc1ccc2n(CCCn3ccnc3)cc(C3=C(C(=O)NC3=O)c3ccccc3)c2c1 |t:17|

BDBM50617466

Brc1ccc2n(CCCn3ccnc3)cc(C3=C(C(=O)NC3=O)c3cccs3)c2c1 |t:17|

BDBM50617467

[O-][N+](=O)c1ccccc1C1=C(C(=O)NC1=O)c1cn(CCCn2ccnc2)c2ccc(Br)cc12 |t:10|

BDBM50617468

Cc1ccccc1C1=C(C(=O)NC1=O)c1cn(CCCn2ccnc2)c2ccc(Br)cc12 |t:8|

BDBM50617469

COc1ccccc1C1=C(C(=O)NC1=O)c1cn(CCCn2ccnc2)c2ccc(Br)cc12 |t:9|

BDBM50617470

Fc1ccccc1C1=C(C(=O)NC1=O)c1cn(CCCn2ccnc2)c2ccc(Br)cc12 |t:8|

BDBM50617471

Cc1ccc(cc1)C1=C(C(=O)NC1=O)c1cn(CCCn2ccnc2)c2ccc(Br)cc12 |t:8|

BDBM50617472

COc1ccc(cc1)C1=C(C(=O)NC1=O)c1cn(CCCn2ccnc2)c2ccc(Br)cc12 |t:9|

BDBM50617473

Fc1ccc(cc1)C1=C(C(=O)NC1=O)c1cn(CCCn2ccnc2)c2ccc(Br)cc12 |t:8|

BDBM50617474

Cc1cc(C)c(C2=C(C(=O)NC2=O)c2cn(CCCn3ccnc3)c3ccc(Br)cc23)c(C)c1 |t:6|

BDBM50617475

Fc1cc(F)c(cc1F)C1=C(C(=O)NC1=O)c1cn(CCCn2ccnc2)c2ccc(Br)cc12 |t:10|

BDBM50617476

COc1ccc(cc1OC)C1=C(C(=O)NC1=O)c1cn(CCCn2ccnc2)c2ccc(Br)cc12 |t:11|

BDBM50617477

Brc1ccc2n(CCCn3ccnc3)cc(C3=C(C(=O)NC3=O)c3ccc4OCOc4c3)c2c1 |t:17|

BDBM50617478

CC(C)(C)c1ccc(cc1)C1=C(C(=O)NC1=O)c1cn(CCCn2ccnc2)c2ccc(Br)cc12 |t:11|

BDBM50617479

FC(F)(F)c1cc(cc(c1)C(F)(F)F)C1=C(C(=O)NC1=O)c1cn(CCCn2ccnc2)c2ccc(Br)cc12 |t:15|

BDBM50617480

Brc1ccc2n(CCCn3ccnc3)cc(C3=C(C(=O)NC3=O)c3ccc4ccccc4c3)c2c1 |t:17|

BDBM50617481

Cc1ccc2c(cn(CCCn3ccnc3)c2c1)C1=C(C(=O)NC1=O)c1ccccc1[N+]([O-])=O |t:21|

BDBM50617482

Cc1ccc(cc1)C1=C(C(=O)NC1=O)c1cn(CCCn2ccnc2)c2cc(C)ccc12 |t:8|

BDBM50617483

COc1ccc(cc1)C1=C(C(=O)NC1=O)c1cn(CCCn2ccnc2)c2cc(C)ccc12 |t:9|

BDBM50617484

Cc1ccc2c(cn(CCCn3ccnc3)c2c1)C1=C(C(=O)NC1=O)c1ccc2ccccc2c1 |t:21|

BDBM50617485

COc1ccc2c(cn(CCCn3ccnc3)c2c1)C1=C(C(=O)NC1=O)c1ccccc1F |t:22|

BDBM50617486

Cc1ccccc1C1=C(C(=O)NC1=O)c1cn(CCCn2ccnc2)c2cc(Br)ccc12 |t:8|

BDBM50617487

COc1ccccc1C1=C(C(=O)NC1=O)c1cn(CCCn2ccnc2)c2cc(Br)ccc12 |t:9|

BDBM50617488

Fc1ccccc1C1=C(C(=O)NC1=O)c1cn(CCCn2ccnc2)c2cc(Br)ccc12 |t:8|

BDBM50617489

Cc1ccc(cc1)C1=C(C(=O)NC1=O)c1cn(CCCn2ccnc2)c2cc(Br)ccc12 |t:8|

BDBM50617490

COc1ccc(cc1)C1=C(C(=O)NC1=O)c1cn(CCCn2ccnc2)c2cc(Br)ccc12 |t:9|

BDBM50617491

Fc1ccc(cc1)C1=C(C(=O)NC1=O)c1cn(CCCn2ccnc2)c2cc(Br)ccc12 |t:8|

BDBM50617492

Brc1ccc2c(cn(CCCn3ccnc3)c2c1)C1=C(C(=O)NC1=O)c1ccc2ccccc2c1 |t:21|

BDBM50113281

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

BDBM50619014

c1ccc2c(c1)/C(=N\O)/C(=C/3\c4ccc(cc4NC3=O)Br)/N2

BDBM50267521

Cn1cc(c2c1cc(c(c2)F)I)C3=C(C(=O)NC3=O)c4coc5c4cccc5OC

BDBM50619015

OC(=O)C1=CN2C3C(C=C(F)C(NCCNc4ccccn4)=C3OCCC22CCC2)C1=O |c:22,t:3,8|

BDBM50619016

CN1CCN(C(=O)C1)c1ccc(NCCNc2ccc(c(N)n2)[N+]([O-])=O)nc1-c1ccc(Cl)cc1Cl

BDBM8269

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

BDBM50619017

Cn1cc(C2=C(C(=O)NC2=O)c2cccc(NC[C@H](O)CO)c2)c2cc(F)ccc12 |r,t:4|

BDBM50049730

C\C(\C=C1/SC(=S)N(CC(O)=O)C1=O)=C/c1ccccc1

BDBM50619018

COc1ccccc1-c1c2C(=O)CC(C)(C)Cc2nc2[nH]nc(C)c12 |(4.78,-1.83,;3.45,-1.06,;2.12,-1.83,;2.12,-3.37,;.78,-4.14,;-.55,-3.37,;-.56,-1.84,;.78,-1.06,;.78,.48,;-.56,1.25,;-1.9,.48,;-1.9,-1.06,;-3.24,1.25,;-3.24,2.8,;-4.01,4.14,;-4.78,2.8,;-1.9,3.58,;-.56,2.8,;.77,3.57,;2.12,2.8,;3.58,3.28,;4.49,2.03,;3.58,.79,;3.98,-.7,;2.12,1.26,)|

BDBM50397755

COc1ccccc1NC(=O)c1nc(cnc1N)-c1ccc(cc1)S(=O)(=O)N1CCN(C)CC1

BDBM50619019

COCCNC(=O)c1nc(cnc1N)-c1ccc(cc1)S(=O)(=O)N1CCN(C)C=C1 |c:30|

BDBM50619020

Nc1ncc(nc1C(=O)Nc1cccnc1)-c1ccc(cc1)S(=O)(=O)N1CCOC=C1 |c:32|

BDBM50619021

CC(C)Oc1cncc(c1)-c1ccc2cnc(C(=O)NCC3CCOCC3)n2c1

BDBM50619022

COCCN1CCC(CNC(=O)c2ncc3ccc(cn23)-c2cncc(OC(C)C)c2)CC1

BDBM50620335

Cc1cc(Nc2ncc(C)c(n2)-c2cnn(CCC#N)c2)sn1

BDBM50620347

Cc1cc(Nc2ncc(C)c(n2)N2CCC(CC#N)CC2)sn1

BDBM50620346

Cc1cc(Nc2ncc(C)c(n2)N2CCN(CC#N)CC2)sn1

BDBM50620348

CC1CN(CCN1CC#N)c1nc(Nc2cc(C)ns2)ncc1C

BDBM50620349

C[C@H]1CN(CCN1CC#N)c1nc(Nc2cc(C)ns2)ncc1C |r|

BDBM50620350

Cc1cc(Nc2ncc(C)c(n2)N2CC3CCC(C2)N3CC#N)sn1 |TLB:20:19:15.16:12.13.18|

BDBM50620351

Cc1cc(Nc2ncc(C)c(n2)N2CC3CCC(C2)N3CCC#N)sn1 |THB:10:12:19:15.16|

BDBM50620352

Cc1cc(Nc2ncc(C)c(n2)N2CC3CCCC(C2)N3CC#N)sn1 |TLB:21:20:12.19.13:15.16.17,THB:10:12:20:15.16.17|

BDBM50620353

Cc1cc(Nc2ncc(C)c(n2)N2CC3CCCC(C2)N3CCC#N)sn1 |TLB:21:20:12.19.13:15.16.17|

BDBM50620354

Cc1cnc(Nc2cnn(C)c2)nc1N1CC2CCCC(C1)N2CC#N |TLB:23:22:14.21.15:17.18.19|

BDBM50620344

Cc1cnc(Nc2cnn(C)c2)nc1N1CC2CCCC(C1)N2CCC#N |TLB:23:22:17.18.19:14.21.15,THB:13:14:22:17.18.19|

BDBM50620355

Cc1cc(Nc2ncc(C)c(n2)N2CC(CCC#N)C2)sn1

BDBM50620356

Cc1cc(Nc2ncc(C)c(n2)N2CC(CC#N)C2)sn1

BDBM50620357

Cc1cc(Nc2ncc(C)c(n2)N2CC(C2)C2CC2)sn1

BDBM50620358

Cc1cc(sn1)Nc2ncc(c(n2)N3CC(C3)(C4CC4)O)C

BDBM50620359

Cc1cc(Nc2ncc(C)c(n2)N2CC(CC#N)(C2)OC2CC3(CC3)C2)sn1

BDBM50620360

Cc1cc(Nc2ncc(C)c(n2)N2CC(CC#N)(C2)N2CCCC2)sn1

BDBM50620361

Cc1cc(Nc2ncc(C)c(n2)N2CC(CC#N)(C2)N2CCCCC2)sn1

BDBM50620345

Cc1cc(sn1)Nc2ncc(c(n2)N3CC(C3)(CC#N)N4CCN(CC4)C)C

BDBM50620362

CN1CCN(CC1)C1(CC#N)CN(C1)c1nc(Nc2cnn(C)c2)ncc1C

BDBM50620343

Cc1cnc(Nc2cnn(C)c2)nc1-c1cnn(c1)[C@H](CC#N)C1CCCC1 |r|

BDBM50399310

Brc1ccnc(NC(=O)Nc2cccc3C(=O)N4CCCCC4c23)c1

BDBM50622459

CC(C)OCCCC(=O)c1n[nH]cc1NC(=O)c1ccc(C)nc1

BDBM50622460

FC(F)(F)c1ccc(Nc2cc(ccn2)C(=O)Nc2cnccc2-c2ccccc2)nc1

BDBM50622461

Clc1ccc(Nc2cc(ccn2)C(=O)Nc2cnccc2-c2ccccc2)nc1

BDBM50622462

Clc1ccc(Nc2cc(ccn2)C(=O)Nc2cnccc2-c2ccccc2)cc1

BDBM50622463

O=C(Nc1cccnc1)c1ccncn1

BDBM50622464

Nc1nccc(n1)C(=O)Nc1cccnc1

BDBM50622465

FC1(F)CCN(CC1)c1ccncc1NC(=O)c1ccncn1

BDBM50622466

Nc1nccc(n1)C(=O)Nc1cnccc1N1CCC(F)(F)CC1

BDBM50622467

FC1(F)CCN(CC1)c1ccncc1NC(=O)c1ccnc(Nc2ccccc2)n1

BDBM50622468

O=C(Nc1cnccc1-c1ccccc1)c1ccnc(Nc2ccccc2)n1

BDBM50622469

Fc1ccc(cc1)-c1ccncc1NC(=O)c1ccnc(Nc2ccccc2)n1

BDBM50622470

FC(F)(F)COc1ccncc1NC(=O)c1ccnc(Nc2ccccc2)n1

BDBM50622471

FC(F)(F)COc1ncncc1NC(=O)c1ccnc(Nc2ccccc2)n1

BDBM50622472

Cc1ccc(Nc2nccc(n2)C(=O)Nc2cnccc2-c2ccccc2)cc1

BDBM50622473

COc1ccc(Nc2nccc(n2)C(=O)Nc2cnccc2-c2ccccc2)cc1

BDBM50622474

COc1ccc(Nc2nccc(n2)C(=O)Nc2cnccc2-c2ccccc2)cc1F

BDBM50622475

Clc1ccc(Nc2nccc(n2)C(=O)Nc2cnccc2-c2ccccc2)cc1

BDBM50622476

Fc1ccc(cc1)-c1ccncc1NC(=O)c1ccnc(Nc2ccc(Cl)cc2)n1

BDBM50622477

Fc1cc(Cl)cc(F)c1Nc1nccc(n1)C(=O)Nc1cnccc1-c1ccccc1

BDBM50622478

CS(=O)(=O)c1ccc(Nc2nccc(n2)C(=O)Nc2cnccc2-c2ccccc2)cc1

BDBM50622479

O=C(Nc1cnccc1-c1ccccc1)c1ccnc(Nc2ccc(cc2)C#N)n1

BDBM50622457

Fc1ccc(cc1)-c1ccncc1NC(=O)c1ccnc(Nc2ccc(cc2)C#N)n1

BDBM50622480

FC(F)(F)COc1ccncc1NC(=O)c1ccnc(Nc2ccc(cc2)C#N)n1

BDBM50622481

FC(F)(F)COc1ncncc1NC(=O)c1ccnc(Nc2ccc(cc2)C#N)n1

BDBM50622482

Cc1cc(ccc1Nc1nccc(n1)C(=O)Nc1cnccc1-c1ccccc1)C#N

BDBM50622483

Clc1cc(ccc1Nc1nccc(n1)C(=O)Nc1cnccc1-c1ccccc1)C#N

BDBM50622484

Clc1cc(Nc2nccc(n2)C(=O)Nc2cnccc2-c2ccccc2)ccc1C#N

BDBM50622458

Fc1ccc(Nc2nccc(n2)C(=O)Nc2cnccc2-c2ccc(F)cc2)cc1

BDBM50622485

FC(F)(F)c1ccc(Nc2nccc(n2)C(=O)Nc2cnccc2-c2ccccc2)cc1

BDBM50622486

Fc1ccc(cc1)-c1ccncc1NC(=O)c1ccnc(Nc2ccc(cc2)C(F)(F)F)n1

BDBM50622487

FC(F)(F)COc1ccncc1NC(=O)c1ccnc(Nc2ccc(cc2)C(F)(F)F)n1

BDBM50622488

FC(F)Oc1ccc(Nc2nccc(n2)C(=O)Nc2cnccc2-c2ccccc2)cc1

BDBM50622489

FC(F)Oc1ccc(Nc2nccc(n2)C(=O)Nc2cnccc2-c2ccc(F)cc2)cc1

BDBM50622490

FC(F)(F)Oc1ccc(Nc2nccc(n2)C(=O)Nc2cnccc2-c2ccccc2)cc1

BDBM50622491

O=C(Nc1cnccc1-c1ccccc1)c1ccnc(Nc2ccncc2)n1

BDBM50622492

O=C(Nc1cnccc1-c1ccccc1)c1ccnc(Nc2cccnc2)n1

BDBM50622493

FC(F)(F)COc1ccncc1NC(=O)c1ccnc(Nc2ccc(cc2)C(F)(F)F)c1

BDBM50375219

[#6]\[#6](-[#6])=[#6]\[#6](-[#8])-[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1c2ccoc2cc2oc(=O)ccc12 |w:4.4|

BDBM50535290

COc1cccc(\C=N\C2CCN(Cc3ccccc3)CC2)c1OC

BDBM50627361

O=C1NC(NC2CCCCC2)=N\C1=C/c1ccc2OCOc2c1 |c:11|

BDBM50627362

O=C1NC(NC2CCCCC2)=N\C1=C/c1ccc2ncsc2c1 |c:11|

BDBM50627363

O=C1NC(NC2CCCCC2)=N\C1=C/c1ccc2nnsc2c1 |c:11|

BDBM50627364

Cc1nc2ccc(\C=C3/N=C(NC4CCCCC4)NC3=O)cc2s1 |t:9|

BDBM50627365

O=C1NC(NC2CCCCC2)=N\C1=C/c1ccc2scnc2c1 |c:11|

BDBM50627366

O=C1NC(NC2CCCCC2)=N\C1=C/c1ccc2ncoc2c1 |c:11|

BDBM50627367

O=C1NC(NC2CCCCC2)=N\C1=C/c1ccc2OCCc2c1 |c:11|

BDBM50627368

O=C1NC(NC2CCCCC2)=N\C1=C/c1ccc2[nH]cnc2c1 |c:11|

BDBM50627369

Cn1cnc2ccc(\C=C3/N=C(NC4CCCCC4)NC3=O)cc12 |t:10|

BDBM50627370

Cn1cnc2cc(\C=C3/N=C(NC4CCCCC4)NC3=O)ccc12 |t:9|

BDBM50627371

O=C1NC(NC2CCCCC2)=N\C1=C/c1ccc2[nH]ncc2c1 |c:11|

BDBM50627372

Cn1ncc2cc(\C=C3/N=C(NC4CCCCC4)NC3=O)ccc12 |t:9|

BDBM50627373

Cn1cc2cc(\C=C3/N=C(NC4CCCCC4)NC3=O)ccc2n1 |t:8|

BDBM50627374

O=C1NC(NC2CCCCC2)=N\C1=C/c1ccc2[nH]ccc2c1 |c:11|

BDBM50627375

Cn1ccc2cc(\C=C3/N=C(NC4CCCCC4)NC3=O)ccc12 |t:9|

BDBM50627376

O=C1NC(NC2CCCCCC2)=N\C1=C/c1ccc2OCOc2c1 |c:12|

BDBM50627377

O=C1NC(NC2CCCCCC2)=N\C1=C/c1ccc2nnsc2c1 |c:12|

BDBM50627378

Cc1nc2ccc(\C=C3/N=C(NC4CCCCCC4)NC3=O)cc2s1 |t:9|

BDBM50627379

O=C1NC(NC2CCCCCC2)=N\C1=C/c1ccc2scnc2c1 |c:12|

BDBM50627380

O=C1NC(NC2CCCCCC2)=N\C1=C/c1ccc2ncoc2c1 |c:12|

BDBM50627381

O=C1NC(NC2CCCCCC2)=N\C1=C/c1ccc2OCCc2c1 |c:12|

BDBM50627382

O=C1NC(NC2CCCCCC2)=N\C1=C/c1ccc2[nH]cnc2c1 |c:12|

BDBM50627383

Cn1cnc2ccc(\C=C3/N=C(NC4CCCCCC4)NC3=O)cc12 |t:10|

BDBM50627384

Cn1cnc2cc(\C=C3/N=C(NC4CCCCCC4)NC3=O)ccc12 |t:9|

BDBM50627385

O=C1NC(NC2CCCCCC2)=N\C1=C/c1ccc2[nH]ncc2c1 |c:12|

BDBM50627386

Cn1ncc2cc(\C=C3/N=C(NC4CCCCCC4)NC3=O)ccc12 |t:9|

BDBM50627387

Cn1cc2cc(\C=C3/N=C(NC4CCCCCC4)NC3=O)ccc2n1 |t:8|

BDBM50627388

O=C1NC(NC2CCCCCC2)=N\C1=C/c1ccc2[nH]ccc2c1 |c:12|

BDBM50627389

Cn1ccc2cc(\C=C3/N=C(NC4CCCCCC4)NC3=O)ccc12 |t:9|

BDBM50627390

O=C1NC(NC23CC4CC(CC(C4)C2)C3)=N\C1=C/c1ccc2OCOc2c1 |c:17,TLB:8:9:13:7.12.6,12:7:14:11.13.10,12:11:14:8.7.6,THB:8:7:13:14.9.10|

BDBM50627391

O=C1NC(NC23CC4CC(CC(C4)C2)C3)=N\C1=C/c1ccc2nnsc2c1 |c:17,TLB:8:9:13:7.12.6,12:7:14:11.13.10,12:11:14:8.7.6,THB:8:7:13:14.9.10|

BDBM50627392

Cc1nc2ccc(\C=C3/N=C(NC45CC6CC(CC(C6)C4)C5)NC3=O)cc2s1 |t:9,TLB:15:16:20:14.19.13,19:14:21:18.20.17,19:18:21:15.14.13,THB:15:14:20:21.16.17|

BDBM50627393

O=C1NC(NC23CC4CC(CC(C4)C2)C3)=N\C1=C/c1ccc2scnc2c1 |c:17,TLB:8:9:13:7.12.6,12:7:14:11.13.10,12:11:14:8.7.6,THB:8:7:13:14.9.10|

BDBM50627394

O=C1NC(NC23CC4CC(CC(C4)C2)C3)=N\C1=C/c1ccc2ncoc2c1 |c:17,TLB:8:9:13:7.12.6,12:7:14:11.13.10,12:11:14:8.7.6,THB:8:7:13:14.9.10|

BDBM50627395

O=C1NC(NC23CC4CC(CC(C4)C2)C3)=N\C1=C/c1ccc2OCCc2c1 |c:17,TLB:8:9:13:7.12.6,12:7:14:11.13.10,12:11:14:8.7.6,THB:8:7:13:14.9.10|

BDBM50627396

O=C1NC(NC23CC4CC(CC(C4)C2)C3)=N\C1=C/c1ccc2[nH]cnc2c1 |c:17,TLB:8:9:13:7.12.6,12:7:14:11.13.10,12:11:14:8.7.6,THB:8:7:13:14.9.10|

BDBM50627397

Cn1cnc2ccc(\C=C3/N=C(NC45CC6CC(CC(C6)C4)C5)NC3=O)cc12 |t:10,TLB:16:17:21:15.20.14,20:15:22:19.21.18,20:19:22:16.15.14,THB:16:15:21:22.17.18|

BDBM50627398

Cn1cnc2cc(\C=C3/N=C(NC45CC6CC(CC(C6)C4)C5)NC3=O)ccc12 |t:9,TLB:15:16:20:14.19.13,19:14:21:18.20.17,19:18:21:15.14.13,THB:15:14:20:21.16.17|

BDBM50627399

O=C1NC(NC23CC4CC(CC(C4)C2)C3)=N\C1=C/c1ccc2[nH]ncc2c1 |c:17,TLB:4:5:8:11.12.10,12:11:14:8.7.6,12:7:14:13.11.10,THB:13:5:8:11.12.10,13:11:8:14.5.6|

BDBM50627400

Cn1ncc2cc(\C=C3/N=C(NC45CC6CC(CC(C6)C4)C5)NC3=O)ccc12 |t:9,TLB:11:12:15:18.19.17,19:18:21:15.14.13,19:14:21:20.18.17,THB:20:12:15:18.19.17,20:18:15:21.12.13|

BDBM50627401

Cn1cc2cc(\C=C3/N=C(NC45CC6CC(CC(C6)C4)C5)NC3=O)ccc2n1 |t:8,TLB:10:11:14:17.18.16,18:17:20:14.13.12,18:13:20:19.17.16,THB:19:11:14:17.18.16,19:17:14:20.11.12|

BDBM50627402

O=C1NC(NC23CC4CC(CC(C4)C2)C3)=N\C1=C/c1ccc2[nH]ccc2c1 |c:17,TLB:4:5:8:11.12.10,12:11:14:8.7.6,12:7:14:13.11.10,THB:13:5:8:11.12.10,13:11:8:14.5.6|

BDBM50627403

Cn1ccc2cc(\C=C3/N=C(NC45CC6CC(CC(C6)C4)C5)NC3=O)ccc12 |t:9,TLB:11:12:15:18.19.17,19:18:21:15.14.13,19:14:21:20.18.17,THB:20:12:15:18.19.17,20:18:15:21.12.13|

BDBM50627404

O=C1NC(NC2CC2)=N\C1=C/c1ccc2ncsc2c1 |c:8|

BDBM50627405

O=C1NC(NC2CCC2)=N\C1=C/c1ccc2ncsc2c1 |c:9|

BDBM50627406

O=C1NC(NC2CCCC2)=N\C1=C/c1ccc2ncsc2c1 |c:10|

BDBM50627407

O=C1NC(NC2CCCCCCC2)=N\C1=C/c1ccc2ncsc2c1 |c:13|

BDBM50627408

C[C@@H]1CCCC[C@H]1NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:9|

BDBM50627409

C[C@@H](NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1)C1CCCCC1 |r,t:3|

BDBM50627410

CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:12|

BDBM50627411

[H][C@]12C[C@]([H])([C@@H](C)[C@@H](C1)NC1=N\C(=C/c3ccc4ncsc4c3)C(=O)N1)C2(C)C |r,t:11|

BDBM50627412

O=C1NC(NC2CC3(CCC3)C2)=N\C1=C/c1ccc2ncsc2c1 |c:13|

BDBM50627413

O=C1NC(NC2CC22CCCCC2)=N\C1=C/c1ccc2ncsc2c1 |c:14|

BDBM50627414

O=C1NC(NC2CC3CCC2C3)=N\C1=C/c1ccc2ncsc2c1 |c:13,TLB:4:5:11:8.9|

BDBM50627415

CC1(C)C2CCC1(C)[C@@H](C2)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:13,THB:10:8:1:4.5|

BDBM50627416

FC1(F)CCC(C1)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |t:9|

BDBM50627417

FC1(F)CCCCC1NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |t:10|

BDBM50627418

FC1(F)CCCC(C1)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |t:10|

BDBM50627419

FC1(F)CCC(CC1)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |t:10|

BDBM50627420

FC1(F)CCCCC(C1)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |t:11|

BDBM50627421

O[C@H]1CCC[C@H]1NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:8|

BDBM50627422

O[C@@H]1CCC[C@H]1NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:8|

BDBM50627423

O[C@@H]1CCCC[C@H]1NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:9|

BDBM50627424

O[C@H]1CCCC[C@@H]1NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:9|

BDBM50627425

O[C@@H]1CCCC[C@@H]1NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:9|

BDBM50627426

O[C@H]1CCCC[C@H]1NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:9|

BDBM50627427

O[C@H]1CCC[C@H](C1)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:9|

BDBM50627428

O[C@@H]1CCC[C@H](C1)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:9|

BDBM50627429

O[C@H]1CC[C@@H](CC1)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,wU:1.0,wD:4.7,t:9,(-8.08,2.3,;-6.54,2.3,;-5.64,3.55,;-4.11,3.4,;-3.47,1.99,;-4.37,.74,;-5.91,.9,;-1.91,1.84,;-1.29,.43,;.19,.12,;.35,-1.44,;1.68,-2.22,;3,-1.44,;3,.12,;4.41,.9,;5.74,.12,;7.22,.59,;8.08,-.66,;7.22,-1.91,;5.74,-1.44,;4.41,-2.22,;-1.05,-2.07,;-1.37,-3.55,;-2.07,-.9,)|

BDBM50627430

O[C@H]1CCCCC[C@H]1NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:10|

BDBM50627431

O[C@@H]1CCCCC[C@H]1NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:10|

BDBM50627432

O[C@H]1CCCCC[C@@H]1NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:10|

BDBM50627433

O[C@H]1CCCC[C@H](C1)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:10|

BDBM50627434

O[C@@H]1CCCC[C@H](C1)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:10|

BDBM50627435

O[C@H]1CCC[C@H](CC1)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:10|

BDBM50627436

O[C@@H]1CCC[C@H](CC1)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:10|

BDBM50627437

O[C@H]1CCC[C@@H](CC1)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:10|

BDBM50627438

CO[C@H]1CCC[C@H]1NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:9|

BDBM50627439

CO[C@@H]1CCC[C@H]1NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:9|

BDBM50627440

CO[C@H]1CCC[C@@H]1NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:9|

BDBM50627441

CO[C@H]1CCCC[C@H]1NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:10|

BDBM50627442

CO[C@@H]1CCCC[C@H]1NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:10|

BDBM50627443

CO[C@H]1CCCC[C@@H]1NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:10|

BDBM50627444

CO[C@H]1CCC[C@H](C1)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:10|

BDBM50627445

CO[C@@H]1CCC[C@H](C1)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:10|

BDBM50627446

CO[C@H]1CCC[C@@H](C1)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:10|

BDBM50627447

CO[C@H]1CC[C@@H](CC1)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,wU:2.1,wD:5.8,t:10,(-8.46,.97,;-7.69,2.3,;-6.15,2.3,;-5.25,3.55,;-3.72,3.4,;-3.09,1.99,;-3.99,.74,;-5.52,.9,;-1.53,1.84,;-.9,.43,;.58,.12,;.74,-1.44,;2.06,-2.22,;3.39,-1.44,;3.39,.12,;4.8,.9,;6.12,.12,;7.61,.59,;8.46,-.66,;7.61,-1.91,;6.12,-1.44,;4.8,-2.22,;-.67,-2.07,;-.98,-3.55,;-1.68,-.9,)|

BDBM50627448

CO[C@H]1CCCCC[C@H]1NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:11|

BDBM50627449

CO[C@@H]1CCCCC[C@H]1NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:11|

BDBM50627450

CO[C@H]1CCCC[C@H](C1)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:11|

BDBM50627451

CO[C@@H]1CCCC[C@H](C1)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:11|

BDBM50627452

CO[C@H]1CCC[C@H](CC1)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:11|

BDBM50627453

CO[C@H]1CCC[C@@H](CC1)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:11|

BDBM50627454

CC[C@H](CO)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:6|

BDBM50627455

CC[C@@H](CO)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:6|

BDBM50627456

CC(C)C[C@H](CO)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:8|

BDBM50627457

CC(C)C[C@@H](CO)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:8|

BDBM50627458

OC[C@@H](CC1CC1)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:9|

BDBM50627459

OC[C@@H](CC1CCC1)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:10|

BDBM50627460

OC[C@@H](CC1CCCC1)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:11|

BDBM50627461

OC[C@@H](CC1CCCCC1)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:12|

BDBM50627462

OCC(NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1)C1CCCCC1 |t:4|

BDBM50627463

OC(CNC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1)C1CCCCC1 |t:4|

BDBM50627464

CC(C)C[C@H](COC)NC1=N/C(=C\c2ccc3c(c2)scn3)/C(=O)N1

BDBM50627465

COC[C@H](CC(C)C)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:9|

BDBM50627466

CCOC[C@@H](CC(C)C)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:10|

BDBM50627467

CC(C)C[C@H](COC1CC1)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:12|

BDBM50627468

CC(C)C[C@H](COC(C)(C)C)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:12|

BDBM50627469

CC(C)C[C@H](COCc1ccccc1)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:16|

BDBM50627470

CC(C)C[C@H](COCc1ccc(F)cc1)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:17|

BDBM50627471

COCC(NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1)C1CCCCC1 |t:5|

BDBM50627472

COC(CNC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1)C1CCCCC1 |t:5|

BDBM50627473

COC(=O)[C@H](C)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:7|

BDBM50627474

COC(=O)[C@@H](NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1)C(C)C |r,t:6|

BDBM50627475

COC(=O)[C@@H](NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1)C(C)O |r,t:6|

BDBM50627476

COC(=O)[C@@H](CC(C)C)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:10|

BDBM50627477

COC(=O)[C@H](CC(C)C)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:10|

BDBM50627478

CC(C)C[C@H](CF)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:8|

BDBM50627479

CC(C)C[C@@H](CF)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:8|

BDBM50627480

O=C1NC(NCC23CC4CC(CC(C4)C2)C3)=N\C1=C/c1ccc2ncsc2c1 |c:18,TLB:15:6:13:9.11.10,5:6:9:12.13.11,THB:14:6:9:12.13.11,14:12:9:7.6.15,15:10:7.6.14:13|

BDBM50627481

CC(NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1)C12CC3CC(CC(C3)C1)C2 |t:3,TLB:22:23:27:21.26.20,26:21:28:25.27.24,26:25:28:22.21.20,THB:22:21:27:28.23.24|

BDBM50627482

O=C1NC(NC2C3CC4CC(C3)CC2C4)=N\C1=C/c1ccc2ncsc2c1 |c:17,TLB:14:13:11:7.8.9,THB:14:8:5.13.12:11,9:8:5:12.10.11,9:10:5:7.8.14,4:5:11:7.8.9,(1.84,-4.63,;.9,-3.45,;-.65,-3.45,;-1.19,-2.05,;-2.68,-1.65,;-3.08,-.16,;-2.04,1.14,;-3.47,.79,;-4.82,1.28,;-4.82,2.8,;-3.46,3.28,;-2.04,2.7,;-4.51,2.03,;-4.51,.41,;-6.04,-.02,;.01,-1.09,;1.31,-1.96,;2.76,-1.44,;3,.08,;1.79,1.08,;2.08,2.66,;3.53,3.19,;4.11,4.63,;5.62,4.5,;6.04,3.04,;4.73,2.19,;4.49,.67,)|

BDBM50627483

O[C@@]12CC3CC(C1)[C@H](NC1=N\C(=C/c4ccc5ncsc5c4)C(=O)N1)C(C3)C2 |r,wU:7.8,wD:1.0,t:10,TLB:6:1:7.5.4:26,8:7:26:27.1.2,THB:6:5:26:27.1.2,2:1:7:4.3.26,2:3:7:27.1.6,0:1:7:4.3.26,0:1:7.5.4:26,(-6.15,1.85,;-4.71,1.28,;-4.71,2.8,;-3.35,3.28,;-4.4,2.03,;-4.4,.41,;-5.93,-.02,;-2.97,-.16,;-2.57,-1.65,;-1.08,-2.05,;.11,-1.09,;1.42,-1.96,;2.86,-1.44,;3.1,.08,;1.9,1.08,;2.19,2.66,;3.64,3.19,;4.22,4.63,;5.73,4.5,;6.15,3.04,;4.84,2.19,;4.6,.67,;1,-3.45,;1.95,-4.63,;-.54,-3.45,;-1.94,1.14,;-1.94,2.7,;-3.36,.79,)|

BDBM50627484

COC(=O)C1(NC2=N\C(=C/c3ccc4ncsc4c3)C(=O)N2)C2CC3CC(C2)CC1C3 |t:6,TLB:5:4:23:25.26.27,2:4:23:25.26.27,THB:25:24:4:26.28.27,25:26:4:23.24.30,28:26:23:4.29.30,28:29:23:25.26.27,2:4:23.24.30:26.28.27,(-2.45,-3.18,;-3.92,-2.69,;-4.23,-1.18,;-5.72,-.79,;-3.08,-.16,;-2.68,-1.65,;-1.19,-2.05,;.01,-1.09,;1.31,-1.96,;2.76,-1.44,;3,.09,;1.79,1.08,;2.08,2.66,;3.53,3.19,;4.11,4.63,;5.62,4.5,;6.04,3.04,;4.73,2.19,;4.49,.67,;.9,-3.44,;1.84,-4.63,;-.65,-3.44,;-4.51,.41,;-6.04,-.02,;-4.82,1.28,;-4.82,2.8,;-3.46,3.28,;-4.51,2.03,;-2.04,2.7,;-2.04,1.14,;-3.47,.79,)|

BDBM50627485

O=C1NC(NC23CC4CC2CC(C3)C4)=N\C1=C/c1ccc2ncsc2c1 |c:16,TLB:10:9:12.11.13:6,THB:10:11:8.9:6|

BDBM50627486

C[C@@]12CC3C[C@@](C)(C1)CC(C3)(C2)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:16,TLB:7:1:8.5.4:10,6:5:10:1.2.11,THB:7:5:10:1.2.11,2:1:8:3.4.10,2:3:8:7.1.11,0:1:8:3.4.10,0:1:8.5.4:10|

BDBM50627487

OC12CC3CC(C1)CC(C3)(C2)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |t:15,TLB:4:3:10:5.6.7,4:5:10:2.3.9,11:8:2:4.5.6,THB:7:5:2:10.8.9,7:8:2:4.5.6|

BDBM50627488

COC12CC3CC(CC(C3)(C1)NC1=N\C(=C/c3ccc4ncsc4c3)C(=O)N1)C2 |t:14,TLB:9:8:28:4.5.3,9:4:28:10.8.7,5:6:10:9.4.3,THB:11:8:28:4.5.3,5:4:10:6.28.7|

BDBM50627489

FC12CC3CC(C1)CC(C3)(C2)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |t:15,TLB:11:8:2:5.4.6,4:5:10:3.2.9,4:3:10:7.5.6,THB:7:8:2:5.4.6,7:5:2:10.8.9|

BDBM50627490

FC12CC3(F)CC(F)(C1)CC(C2)(C3)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |t:17,TLB:13:10:2:6.5.8,5:3:11:9.6.8,7:6:11:3.2.12,THB:9:10:2:6.5.8,9:6:2:11.10.12,5:6:11:3.2.12,4:3:11:9.6.8,7:6:2:11.10.12|

BDBM50627491

CC(=O)OC12CC3CC(CC(C3)(C1)NC1=N\C(=C/c3ccc4ncsc4c3)C(=O)N1)C2 |t:16,TLB:11:10:30:6.7.5,11:6:30:12.10.9,7:8:12:11.6.5,THB:13:10:30:6.7.5,7:6:12:8.30.9|

BDBM50627492

CC(C)(C)C(=O)OC12CC3CC(CC(C3)(C1)NC1=N\C(=C/c3ccc4ncsc4c3)C(=O)N1)C2 |t:19,TLB:14:13:33:9.10.8,14:9:33:15.13.12,10:11:15:14.9.8,THB:16:13:33:9.10.8,10:9:15:11.33.12|

BDBM50627493

CC(C)(C)NC(=O)OC12CC3CC(CC(C3)(C1)NC1=N\C(=C/c3ccc4ncsc4c3)C(=O)N1)C2 |t:20,TLB:15:14:34:10.11.9,15:10:34:16.14.13,11:12:16:15.10.9,THB:17:14:34:10.11.9,11:10:16:12.34.13|

BDBM50627494

CC(=O)NC12CC3CC(C1)CC(C3)(C2)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |t:18,TLB:9:4:12:8.10.7,7:8:12.6.5:13,7:6:8.10.9:13,THB:9:8:12:5.4.13|

BDBM50627495

O=C(NC12CC3CC(C1)CC(C3)(C2)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1)C1CC1 |t:17,TLB:6:5:12:7.8.9,6:7:12:4.5.11,THB:4:3:9:5.6.11,4:5:12.3.8:9|

BDBM50627496

CS(=O)(=O)NC12CC3CC(CC(C3)(C1)NC1=N\C(=C/c3ccc4ncsc4c3)C(=O)N1)C2 |t:17,TLB:31:5:12:9.8.10,8:9:13:7.6.12,THB:31:9:13.5.6:12,8:7:13:31.9.10|

BDBM50627497

CN(C)C12CC3CC(CC(C3)(C1)NC1=N\C(=C/c3ccc4ncsc4c3)C(=O)N1)C2 |t:15,TLB:29:3:10:7.6.8,6:7:11:5.4.10,THB:29:7:11.3.4:10,6:5:11:29.7.8|

BDBM50627498

O=C1NC(NCc2ccccc2)=N\C1=C/c1ccc2ncsc2c1 |c:12|

BDBM50627499

Cc1ccc(CNC2=N\C(=C/c3ccc4ncsc4c3)C(=O)N2)cc1C |t:7|

BDBM50627500

Cc1ccc(CNC2=N\C(=C/c3ccc4ncsc4c3)C(=O)N2)c(C)c1 |t:7|

BDBM50627501

FC(F)(F)c1ccccc1CNC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |t:13|

BDBM50627502

FC(F)(F)Oc1ccccc1CNC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |t:14|

BDBM50627503

O=C1NC(NC2Cc3ccccc3C2)=N\C1=C/c1ccc2ncsc2c1 |c:15|

BDBM50627504

O[C@@H]1Cc2ccccc2[C@H]1NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:13|

BDBM50627505

O[C@H]1Cc2ccccc2[C@@H]1NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:13|

BDBM50627506

OC[C@H](NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1)c1ccccc1 |r,t:4|

BDBM50627507

OC[C@@H](NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1)c1ccccc1 |r,t:4|

BDBM50627508

OC[C@@H](Cc1ccccc1)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:12|

BDBM50627509

O[C@@H](CNC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1)c1ccccc1 |r,t:4|

BDBM50627510

O[C@H](CNC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1)c1ccccc1 |r,t:4|

BDBM50627511

OC(CNC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1)Cc1ccccc1 |t:4|

BDBM50627512

CO[C@H]1Cc2ccccc2[C@H]1NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:14|

BDBM50627513

CO[C@@H]1Cc2ccccc2[C@H]1NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:14|

BDBM50627514

COC[C@H](NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1)c1ccccc1 |r,t:5|

BDBM50627515

COC[C@@H](NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1)c1ccccc1 |r,t:5|

BDBM50627516

CC(C)(C)OC[C@H](NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1)c1ccccc1 |r,t:8|

BDBM50627517

COCC(Cc1ccccc1)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |t:13|

BDBM50627518

COC(CNC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1)c1ccccc1 |t:5|

BDBM50627519

COC(CNC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1)Cc1ccccc1 |t:5|

BDBM50627520

COC(=O)[C@@H](Cc1ccccc1)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:14|

BDBM50627521

COC(=O)[C@H](Cc1ccccc1)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:14|

BDBM50627522

FCC(NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1)c1ccccc1 |t:4|

BDBM50627523

NCC(NC1=NC(=C/c2ccc3ncsc3c2)C(=O)N1)c1ccccc1

BDBM50627524

NC[C@H](NC1=NC(=C/c2ccc3ncsc3c2)C(=O)N1)c1ccccc1

BDBM50627525

NC[C@@H](NC1=NC(=C/c2ccc3ncsc3c2)C(=O)N1)c1ccccc1

BDBM50627526

CNCC(NC1=NC(=C/c2ccc3ncsc3c2)C(=O)N1)c1ccccc1

BDBM50627527

CN(C)CC(NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1)c1ccccc1 |t:6|

BDBM50627528

O=C1NC(NCc2ccccn2)=N\C1=C/c1ccc2ncsc2c1 |c:12|

BDBM50627529

O=C1NC(NCc2cccnc2)=N\C1=C/c1ccc2ncsc2c1 |c:12|

BDBM50627530

O=C1NC(NCc2ccncc2)=N\C1=C/c1ccc2ncsc2c1 |c:12|

BDBM50627531

O=C1NC(NCCc2ccccn2)=N\C1=C/c1ccc2ncsc2c1 |c:13|

BDBM50627532

Cc1cnc(CNC2=N\C(=C/c3ccc4ncsc4c3)C(=O)N2)cn1 |t:7|

BDBM50627533

Cc1ccc(CNC2=N\C(=C/c3ccc4ncsc4c3)C(=O)N2)o1 |t:7|

BDBM50627534

O=C1NC(NCCCn2ccnc2)=N\C1=C/c1ccc2ncsc2c1 |c:13|

BDBM50627535

Cc1csc(CNC2=N\C(=C/c3ccc4ncsc4c3)C(=O)N2)n1 |t:7|

BDBM50627536

O=C1NC(NCc2nc3ccccc3s2)=N\C1=C/c1ccc2ncsc2c1 |c:16|

BDBM50627537

O=C1NC(NCC2CCOCC2)=N\C1=C/c1ccc2ncsc2c1 |c:12|

BDBM50627538

CN1CCC2(CC(C2)NC2=N\C(=C/c3ccc4ncsc4c3)C(=O)N2)CC1 |t:10|

BDBM50627539

CN1CCC(CNC2=N\C(=C/c3ccc4ncsc4c3)C(=O)N2)CC1 |t:7|

BDBM50627540

CC(C)(C)OC(=O)N1CCC(CNC2=N\C(=C/c3ccc4ncsc4c3)C(=O)N2)CC1 |t:13|

BDBM50627541

O=C1NC(Nc2ccccc2)=N\C1=C/c1ccc2ncsc2c1 |c:11|

BDBM50627542

CCCCCCc1ccc(NC2=N\C(=C/c3ccc4ncsc4c3)C(=O)N2)cc1 |t:11|

BDBM50627543

Fc1ccc(NC2=N\C(=C/c3ccc4ncsc4c3)C(=O)N2)cc1 |t:6|

BDBM50627544

Cc1ccc(NC2=N\C(=C/c3ccc4ncsc4c3)C(=O)N2)cc1F |t:6|

BDBM50627545

FC(F)(F)c1cccc(NC2=N\C(=C/c3ccc4ncsc4c3)C(=O)N2)c1 |t:10|

BDBM50627546

FC(F)Oc1cccc(NC2=N\C(=C/c3ccc4ncsc4c3)C(=O)N2)c1 |t:10|

BDBM50627547

O=C1NC(Nc2ccc3CCCc3c2)=N\C1=C/c1ccc2ncsc2c1 |c:15|

BDBM50627548

CC(=O)N1CCc2ccc(NC3=N\C(=C/c4ccc5ncsc5c4)C(=O)N3)cc12 |t:11|

BDBM50627549

Cn1ncc2cccc(NC3=N\C(=C/c4ccc5ncsc5c4)C(=O)N3)c12 |t:10|

BDBM50627550

CN1CCN(CC1)c1ccc(NC2=N\C(=C/c3ccc4ncsc4c3)C(=O)N2)cc1 |t:13|

BDBM50594796

CN1CCN(CC1)c1ccc(NC2=N\C(=C/c3ccc4OCOc4c3)C(=O)N2)cc1 |t:13|

BDBM50627587

CN1CCN(CC1)c1ccc(NC2=N\C(=C/c3ccc4OCCOc4c3)C(=O)N2)cc1 |t:13|

BDBM50627588

COc1ccc(\C=C2/N=C(Nc3ccc(cc3)N3CCN(C)CC3)NC2=O)cc1O |t:8|

BDBM50627551

O=C1NC(Nc2ccc(cc2)N2CCOCC2)=N\C1=C/c1ccc2ncsc2c1 |c:18|

BDBM50627552

O=C1NC(Nc2cccnc2)=N\C1=C/c1ccc2ncsc2c1 |c:11|

BDBM50627553

O=C1NC(Nc2ccccn2)=N\C1=C/c1ccc2ncsc2c1 |c:11|

BDBM50627554

COc1nc(C)ccc1NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |t:11|

BDBM50627555

O=C1NC(Nc2ncccn2)=N\C1=C/c1ccc2ncsc2c1 |c:11|

BDBM50627556

O=C1NC(Nc2cncnc2)=N\C1=C/c1ccc2ncsc2c1 |c:11|

BDBM50627557

CN1CCN(CC1)c1cnc(NC2=N\C(=C/c3ccc4ncsc4c3)C(=O)N2)nc1 |t:13|

BDBM50627558

CN1CCN(CC1)c1ncc(NC2=N\C(=C/c3ccc4ncsc4c3)C(=O)N2)cn1 |t:13|

BDBM50627559

CN1CCN(CC1)c1cnc(NC2=N\C(=C/c3ccc4ncsc4c3)C(=O)N2)cn1 |t:13|

BDBM50627560

Cn1ccc(NC2=N\C(=C/c3ccc4ncsc4c3)C(=O)N2)n1 |t:6|

BDBM50627561

O=C1NC(Nc2nncs2)=N\C1=C/c1ccc2ncsc2c1 |c:10|

BDBM50627562

O=C1NC(NC2COC2)=N\C1=C/c1ccc2ncsc2c1 |c:9|

BDBM50627563

O=C1NC(N[C@@H]2CCOC2)=N\C1=C/c1ccc2ncsc2c1 |r,c:10|

BDBM50627564

O=C1NC(N[C@H]2CCOC2)=N\C1=C/c1ccc2ncsc2c1 |r,c:10|

BDBM50627565

O=C1NC(NC2CCOCC2)=N\C1=C/c1ccc2ncsc2c1 |c:11|

BDBM50627566

O=C1NC(N[C@@H]2CCCOC2)=N\C1=C/c1ccc2ncsc2c1 |r,c:11|

BDBM50627567

O=C1NC(N[C@H]2CCCOC2)=N\C1=C/c1ccc2ncsc2c1 |r,c:11|

BDBM50627568

CC1(C)CCC(CO1)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |t:10|

BDBM50627569

O[C@@H]1CCOC[C@H]1NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:9|

BDBM50627570

O[C@H]1CCOC[C@@H]1NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,t:9|

BDBM50627571

O=C1NC(NC2CCCCOC2)=N\C1=C/c1ccc2ncsc2c1 |c:12|

BDBM50627572

O=C1NC(NC2COCCOC2)=N\C1=C/c1ccc2ncsc2c1 |c:12|

BDBM50627573

CN1CCC(CC1)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |t:9|

BDBM50627574

CN1CCCC(C1)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |t:9|

BDBM50627575

O=C1NC(NC2CCCSC2)=N\C1=C/c1ccc2ncsc2c1 |c:11|

BDBM50627576

O=C1NCCC1NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |t:8|

BDBM50627577

CC1(C)CNC(=O)C1NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |t:10|

BDBM50627578

CC1(CCNC1=O)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |t:9|

BDBM50627579

CN1CCC(NC2=N\C(=C/c3ccc4ncsc4c3)C(=O)N2)C1=O |t:6|

BDBM50627580

CN1CC[C@@](C)(NC2=N\C(=C/c3ccc4ncsc4c3)C(=O)N2)C1=O |r,t:7|

BDBM50627581

CN1CC[C@](C)(NC2=N\C(=C/c3ccc4ncsc4c3)C(=O)N2)C1=O |r,t:7|

BDBM50627582

O=C1NC(NC2CCCNC2=O)=N\C1=C/c1ccc2ncsc2c1 |c:12|

BDBM50627583

CN1CCCC(NC2=N\C(=C/c3ccc4ncsc4c3)C(=O)N2)C1=O |t:7|

BDBM50627584

O=C1NC(N[C@H]2CCC(=O)NC2)=N\C1=C/c1ccc2ncsc2c1 |r,c:12|

BDBM50627585

[H][C@]1(CN2CCC1CC2)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,wU:1.0,t:12,(-4.14,.59,;-4.14,-.9,;-4.14,-2.46,;-5.47,-3.24,;-6.09,-2.3,;-6.09,-1.13,;-5.47,-.12,;-6.79,-.9,;-6.79,-2.46,;-2.81,-.12,;-1.41,-.9,;,-.27,;1.01,-1.44,;2.58,-1.29,;3.2,.12,;2.26,1.37,;2.89,2.77,;4.45,2.93,;5.31,4.18,;6.79,3.71,;6.79,2.15,;5.31,1.68,;4.68,.27,;.23,-2.77,;.86,-4.18,;-1.25,-2.46,)|

BDBM50627586

[H][C@@]1(CN2CCC1CC2)NC1=N\C(=C/c2ccc3ncsc3c2)C(=O)N1 |r,wD:1.0,t:12,(-4.06,.58,;-4.06,-.89,;-4.06,-2.43,;-5.37,-3.21,;-6.07,-2.28,;-6.07,-1.12,;-5.37,-.12,;-6.76,-.89,;-6.76,-2.43,;-2.74,-.12,;-1.43,-.89,;-.04,-.27,;.97,-1.43,;2.51,-1.28,;3.13,.12,;2.2,1.35,;2.9,2.74,;4.37,2.9,;5.29,4.14,;6.76,3.67,;6.76,2.13,;5.29,1.66,;4.68,.27,;.19,-2.74,;.89,-4.14,;-1.28,-2.43,)|

BDBM50629683

COc1ccc(cc1Cl)-c1ocnc1C(=O)NCCCn1cc(CNC(=O)c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)nn1

BDBM50629684

COc1ccc(cc1I)-c1ocnc1C(=O)NCCCn1cc(CNC(=O)c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)nn1

BDBM50629685

COc1ccc(cc1Cl)-c1ocnc1C(=O)NCCCNC(=O)c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C

BDBM50629686

COc1ccc(cc1I)-c1ocnc1C(=O)NCCCNC(=O)c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C

BDBM50629687

COc1ccc(cc1F)-c1ocnc1C(=O)NCCCNC(=O)c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C

BDBM50629688

COc1c(F)cc(cc1F)-c1ocnc1C(=O)NCCCNC(=O)c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C

BDBM50629689

COc1ccc(cc1Cl)-c1ocnc1C(=O)NCCCCNC(=O)c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C

BDBM50629690

COc1ccc(cc1F)-c1ocnc1C(=O)NCCCCNC(=O)c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C

BDBM50629691

COc1ccc(cc1Cl)-c1ocnc1C(=O)NCCCc1ccc(NC(=O)c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)cc1

BDBM50629692

COc1ccc(cc1Cl)-c1ocnc1C(=O)NCCCn1cc(CNC(=O)CCc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)nn1

BDBM50629693

COc1ccc(cc1I)-c1ocnc1C(=O)NCCCn1cc(CNC(=O)CCc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)nn1

BDBM50629694

COc1ccc(cc1Cl)-c1ocnc1C(=O)NCCCNC(=O)CCc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C

BDBM50629695

COc1ccc(cc1I)-c1ocnc1C(=O)NCCCNC(=O)CCc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C

BDBM50629696

COc1ccc(cc1F)-c1ocnc1C(=O)NCCCNC(=O)CCc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C

BDBM50629697

COc1c(F)cc(cc1F)-c1ocnc1C(=O)NCCCNC(=O)CCc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C

BDBM50629698

COc1ccc(cc1Cl)-c1ocnc1C(=O)NCCCCNC(=O)CCc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C

BDBM50629699

COc1ccc(cc1F)-c1ocnc1C(=O)NCCCCNC(=O)CCc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C

BDBM50629700

COc1ccc(cc1Cl)-c1ocnc1C(=O)NCCCc1ccc(NC(=O)CCc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)cc1

BDBM50629701

COc1ccc(cc1Cl)-c1ocnc1C(=O)NCCCn1cc(CNC(=O)\C=C\c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)nn1

BDBM50629702

COc1ccc(cc1I)-c1ocnc1C(=O)NCCCn1cc(CNC(=O)\C=C\c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)nn1

BDBM50629703

COc1ccc(cc1Cl)-c1ocnc1C(=O)NCCCNC(=O)\C=C\c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C

BDBM50629704

COc1ccc(cc1I)-c1ocnc1C(=O)NCCCNC(=O)\C=C\c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C

BDBM50629705

COc1ccc(cc1Cl)-c1ocnc1C(=O)NCCCc1ccc(NC(=O)\C=C\c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)cc1

BDBM50629706

COc1ccc(cc1F)-c1ocnc1C(=O)NCCCc1ccc(NC(=O)\C=C\c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)cc1

BDBM50629707

COc1c(F)cc(cc1F)-c1ocnc1C(=O)NCCCc1ccc(NC(=O)\C=C\c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)cc1

BDBM50632896

Cc1n[nH]c2ccc(cc12)-c1nnc2CC[C@@H](c3ccc(Cl)cc3)n12 |r|

BDBM50632897

Cc1n[nH]c2ncc(cc12)-c1nnc2CC[C@@H](c3ccc(Cl)cc3)n12 |r|

BDBM50632898

Cc1n[nH]c2ccc(nc12)-c1nnc2CC[C@@H](c3ccc(Cl)cc3)n12 |r|

BDBM50632905

Cc1nnc(-c2ccc3[nH]nc(C)c3c2)n1Cc1ccc(Cl)cc1

BDBM50632918

Cc1nnc(-c2ccc3[nH]nc(C)c3c2)n1Cc1ccc(cc1)C(F)(F)F

BDBM50621796

O=C(C1CC1)N1CCC[C@@H](C1)Nc1nccc(n1)-n1c(CC#N)cnc1-c1ccc2ccccc2c1 |r|

BDBM50633143

CCOC(=O)C1Cc2nc(-c3ccc(Cl)c(Cl)c3)n(c2C1)-c1ccnc(N[C@H]2CCCN(C2)C(=O)C2CC2)n1 |r|

BDBM50633144

NC(=O)C1Cc2nc(-c3ccc(Cl)c(Cl)c3)n(c2C1)-c1ccnc(N[C@H]2CCCN(C2)C(=O)C2CC2)n1 |r|

BDBM50633145

CNC(=O)C1Cc2nc(-c3ccc(Cl)c(Cl)c3)n(c2C1)-c1ccnc(N[C@H]2CCCN(C2)C(=O)C2CC2)n1 |r|

BDBM50633146

CCOC(=O)C1Cc2nc(-c3ccc(Cl)c(Cl)c3)n(c2C1)-c1ccnc(N[C@@H]2CCCN(C2)C(=O)C2CC2)n1 |r|

BDBM50633147

NC(=O)C1Cc2nc(-c3ccc(Cl)c(Cl)c3)n(c2C1)-c1ccnc(N[C@@H]2CCCN(C2)C(=O)C2CC2)n1 |r|

BDBM50633157

CCOC(=O)C1Cc2nc(-c3ccc4ccccc4c3)n(c2C1)-c1ccnc(N[C@H]2CCCN(C2)C(=O)C2CC2)n1 |r|

BDBM50633159

CNC(=O)C1Cc2nc(-c3ccc4ccccc4c3)n(c2C1)-c1ccnc(N[C@H]2CCCN(C2)C(=O)C2CC2)n1 |r|

BDBM50633160

CCOC(=O)C1Cc2nc(-c3ccc4ccccc4c3)n(c2C1)-c1ccnc(N[C@@H]2CCCN(C2)C(=O)C2CC2)n1 |r|

BDBM50633162

CNC(=O)C1Cc2nc(-c3ccc4ccccc4c3)n(c2C1)-c1ccnc(N[C@@H]2CCCN(C2)C(=O)C2CC2)n1 |r|

BDBM50634015

COc1cc2-c3c(-c4ccc(O)c(O)c4)c4c(n3CCc2cc1O)c(=O)oc1cc(OC)c(O)cc41

BDBM50634016

Oc1ccc(CCn2cc(-c3ccc(O)c(O)c3)c3c2c(=O)oc2cc(O)c(O)cc32)cc1O

BDBM50634017

Oc1ccc(CCN2C(=O)C(=C3C2=C(C(=O)c2cc(O)c(O)cc32)c2ccc(O)c(O)c2)c2ccc(O)c(O)c2)cc1O |c:10,t:13|

BDBM50634018

Oc1ccc(CCn2c3=C(C(=O)c4cc(O)c(O)cc4-c3c3-c4cc(O)c(O)cc4C(=O)C(c4ccc(O)c(O)c4)=c23)c2ccc(O)c(O)c2)cc1O |t:8,44|

BDBM50634019

OC(=O)c1[nH]c2c(c1-c1ccc(O)c(O)c1)c1cc(O)c(O)cc1oc2=O

BDBM50634020

Oc1ccc(CCn2c3c(c4c2c(=O)oc2cc(O)c(O)cc42)c2cc(O)c(O)cc2oc3=O)cc1O

BDBM50634021

Oc1ccc(CCn2c3=C(C(=O)c4cc(O)c(O)cc4-c3c3-c4ccc(O)c(O)c4C(=O)C(c4ccc(O)c(O)c4)=c23)c2ccc(O)c(O)c2)cc1O |t:8,44|

BDBM50218709

COc1cc(ccc1N)-c1ccc2c(Nc3ccc(cc3NC2=O)C(C)(C)C(=O)Nc2ccc(cc2)N2CCOCC2)c1

BDBM50220369

CS(=O)(=O)Nc1ccc(CCNC(=O)c2ccc(O)c3nc([nH]c23)-c2ccccc2)cc1

BDBM50220370

Cn1cc(C2=C(C(=O)NC2=O)c2cccc(OCCN)c2)c2ccccc12 |t:4|

BDBM50220371

Oc1ccc(C(=O)NCCc2ccccc2)c2[nH]c(nc12)-c1ccc(Cl)cc1Cl

BDBM50220372

Oc1ccc(C(=O)NCCc2ccccc2)c2[nH]c(nc12)-c1ccccc1

BDBM50220373

CS(=O)(=O)Nc1ccc(CCNC(=O)c2ccc(O)c3nc([nH]c23)-c2ccc(Cl)cc2Cl)cc1

BDBM50220374

Oc1ccc(C(=O)NCc2ccccc2)c2[nH]c(nc12)-c1ccccc1

BDBM50637852

CNCCCn1c2ccccc2c2c3cn[nH]c3c3c4ccccc4[nH]c3c21

BDBM50223570

Fc1ccccc1-c1cc(Nc2ccccc2)n2ncc(Br)c2n1

BDBM50223578

Brc1cnn2c(NCc3cccnc3)cc(nc12)C1CCNCC1

BDBM50223582

Fc1ccccc1-c1cc(NCc2ccccc2)n2ncc(Br)c2n1

BDBM50223593

CS(=O)(=O)c1ccc(Nc2cc(nc3c(Br)cnn23)-c2ccccc2Cl)cc1

BDBM50223587

Clc1ccccc1-c1cc(NCOc2cccnc2)n2ncc(Br)c2n1

BDBM50223576

C#Cc1cnn2c(NCc3cccnc3)cc(nc12)-c1ccccc1

BDBM50223583

Brc1cnn2c(NCc3cccnc3)cc(nc12)C1CCCNC1 |w:18.20|

BDBM50223581

Brc1cnn2c(NCc3cccnc3)cc(nc12)-c1cccs1

BDBM50223580

CNc1cc(nc2c(Br)cnn12)-c1ccccc1Cl

BDBM50223568

CCOC(=O)c1cc(NCc2cccnc2)n2ncc(Br)c2n1

BDBM50223586

Brc1cnn2c(NCc3cccnc3)cc(nc12)-c1ccccc1

BDBM50223567

Clc1ccccc1-c1cc(NCc2cccnc2)n2ncc(Br)c2n1

BDBM50223595

CC(O)c1cc(NCc2cccnc2)n2ncc(Br)c2n1 |w:1.0|

BDBM50223577

CSc1cc(NCc2cccnc2)n2ncc(Br)c2n1

BDBM50223610

CNc1cc(NCc2cccnc2)n2ncc(Br)c2n1

BDBM50223609

Brc1cnn2c(NCOc3cccnc3)cc(nc12)-c1ccccc1

BDBM50223608

CCc1cc(NCc2cccnc2)n2ncc(Br)c2n1

BDBM50223602

CC(=O)NCCSc1cnn2c(NCc3cccnc3)cc(nc12)-c1ccccc1

BDBM50223592

CSc1cnn2c(NCc3cccnc3)cc(nc12)-c1ccccc1

BDBM50223599

Cc1cc(NCc2cccnc2)n2ncc(Br)c2n1

BDBM50223615

Brc1cnn2c(NCc3cccnc3)cc(nc12)C1CCCCC1

BDBM50223590

Fc1ccccc1-c1cc(NCOc2cccnc2)n2ncc(Br)c2n1

BDBM50223594

CC(C)c1cc(NCc2cccnc2)n2ncc(Br)c2n1

BDBM50223573

Brc1cnn2c(NCc3cccnc3)cc(nc12)C1CC1

BDBM50223607

CCc1cnn2c(NCc3cccnc3)cc(nc12)-c1ccccc1

BDBM50223591

Brc1cnn2c(NCc3cccnc3)cc(nc12)-c1ccco1

BDBM50223601

COc1cc(NCc2cccnc2)n2ncc(Br)c2n1

BDBM50223605

N#CCc1cnn2c(NCc3cccnc3)cc(nc12)-c1ccccc1

BDBM610464

CC5CN(c1ccncc1NC(=O)c3ccnn4cc(c2ccccc2)nc34)CCO5

BDBM50641314

COc1ncc(-c2nc(-c3ccc(F)cc3)cn2[C@H]2CC[C@H](O)CC2)cn1

BDBM50643910

Cc1ccc(Nc2nc(N)c(C(=O)c3ccc(C#N)cc3)s2)cc1

BDBM50645333

Cc1ccc(NC(=O)c2ccc3c(c2)c(CNCCc2ccc(-c4ccccc4)cc2)cn3C)cc1C

BDBM50645342

Cc1ccc(NC(=O)c2ccc3c(c2)c(CNCCN2CCNCC2)cn3C)cc1C

BDBM50645354

COc1ccc(Nc2ncnc3ccc(-c4c[nH]c5ncccc45)cc23)c(F)c1

BDBM50645368

OC[C@@H](Nc1ncnc2ccc(-c3c[nH]c4ncccc34)cc12)c1ccccc1

BDBM50645371

O[C@@H](CNc1ncnc2ccc(-c3c[nH]c4ncccc34)cc12)c1ccccc1

BDBM50645373

COc1ccc(Nc2ncnc3ccc(-c4c[nH]c5nc(C)ccc45)cc23)c(F)c1

BDBM50645374

Cc1ccc2c(-c3ccc4ncnc(N[C@H](CO)c5ccccc5)c4c3)c[nH]c2n1

BDBM50645375

Cc1ccc2c(-c3ccc4ncnc(NC[C@H](O)c5ccccc5)c4c3)c[nH]c2n1

BDBM50228979

N(c1ccccc1)c1nccc(n1)C1C=NN2C=CC=CC12 |w:21.22,c:16,19,21|

BDBM50228983

COCCn1cc(-c2ccnc(Nc3cccc(OC)c3)n2)c2cccnc12

BDBM50228984

COCCn1cc(-c2ccnc(Nc3cccc(OC)c3)n2)c2ccccc12

BDBM50228986

N(c1ccccc1)c1nccc(n1)C1C2C=CC=CN2N=C1c1ccccc1 |w:14.16,c:17,19,23|

BDBM50228982

COc1cccc(Nc2nccc(n2)C2C3C=CC=CN3N=C2c2ccccc2)c1 |w:15.16,c:17,19,23|

BDBM50228987

COCCn1cc(-c2ccnc(Nc3ccccc3)n2)c2ccccc12

BDBM50228977

COCCn1cc(-c2ccnc(Nc3ccccc3)n2)c2cccnc12

BDBM50228976

COc1cccc(Nc2nccc(n2)C2C=NN3C=CC=CC23)c1 |w:22.22,c:16,19,21|

BDBM50228981

Cc1ccc(Cl)cc1Nc1nccc(n1)C1C=NN2C=CC=CC12 |w:23.24,c:18,21,23|

BDBM50647431

Cc1cncn1CCCn1cc(C2=C(c3ccccc3)C(=O)NC2=O)c2ccccc21

BDBM50647432

Cc1cncn1CCCn1cc(C2=C(c3ccccc3[N+](=O)[O-])C(=O)NC2=O)c2ccccc21

BDBM50647433

Cc1cncn1CCCn1cc(C2=C(c3ccccc3F)C(=O)NC2=O)c2ccccc21

BDBM50647434

Cc1ccccc1C1=C(c2cn(CCCn3cncc3C)c3ccccc23)C(=O)NC1=O

BDBM50647435

COc1ccccc1C1=C(c2cn(CCCn3cncc3C)c3ccccc23)C(=O)NC1=O

BDBM50647436

Cc1cncn1CCCn1cc(C2=C(c3ccc([N+](=O)[O-])cc3)C(=O)NC2=O)c2ccccc21

BDBM50647437

Cc1cncn1CCCn1cc(C2=C(c3ccc(F)cc3)C(=O)NC2=O)c2ccccc21

BDBM50647438

Cc1cncn1CCCn1cc(C2=C(c3cc(F)c(F)cc3F)C(=O)NC2=O)c2ccccc21

BDBM50647439

COc1ccc(C2=C(c3cn(CCCn4cncc4C)c4ccccc34)C(=O)NC2=O)cc1OC

BDBM50647440

Cc1cccc(C2=C(c3cn(CCCn4cncc4C)c4ccccc34)C(=O)NC2=O)c1

BDBM50647441

COc1cccc(C2=C(c3cn(CCCn4cncc4C)c4ccccc34)C(=O)NC2=O)c1

BDBM50647442

Cc1cncn1CCCn1cc(C2=C(c3cccc(F)c3)C(=O)NC2=O)c2ccccc21

BDBM50647443

Cc1cncn1CCCn1cc(C2=C(c3cccc([N+](=O)[O-])c3)C(=O)NC2=O)c2ccccc21

BDBM50647444

Cc1cncn1CCCn1cc(C2=C(c3ccc(OCCCN4CCOCC4)cc3)C(=O)NC2=O)c2ccccc21

BDBM50647445

Cc1cncn1CCCn1cc(C2=C(c3ccc(OCCCN4CCCCC4)cc3)C(=O)NC2=O)c2ccccc21

BDBM50647446

Cc1cncn1CCCn1cc(C2=C(c3ccc(OCCCN4CCN(C)CC4)cc3)C(=O)NC2=O)c2ccccc21

BDBM50647447

Cc1cncn1CCCn1cc(C2=C(c3ccc(OCCCCN4CCOCC4)cc3)C(=O)NC2=O)c2ccccc21

BDBM50647448

Cc1cncn1CCCn1cc(C2=C(c3ccc(OCCCCN4CCCCC4)cc3)C(=O)NC2=O)c2ccccc21

BDBM50647449

Cc1cncn1CCCn1cc(C2=C(c3ccc(OCCCCN4CCN(C)CC4)cc3)C(=O)NC2=O)c2ccccc21

BDBM50647450

CCCOc1ccc(C2=C(c3cn(CCCn4cncc4C)c4ccccc34)C(=O)NC2=O)cc1

BDBM50647451

CCCCOc1ccc(C2=C(c3cn(CCCn4cncc4C)c4ccccc34)C(=O)NC2=O)cc1

BDBM50647452

Cc1cncn1CCCn1cc(C2=C(c3ccc(OCCCN4CCN(c5ccccc5)CC4)cc3)C(=O)NC2=O)c2ccccc21

BDBM50647453

Cc1cncn1CCCn1cc(C2=C(c3ccc(OCCCCN4CCN(c5ccccc5)CC4)cc3)C(=O)NC2=O)c2ccccc21

BDBM50647454

Cc1cncn1CCCn1cc(C2=C(c3ccc(OCCCc4ccccc4)cc3)C(=O)NC2=O)c2ccccc21

BDBM50647455

Cc1cncn1CCCn1cc(C2=C(c3ccc(OCCCCc4ccccc4)cc3)C(=O)NC2=O)c2ccccc21

BDBM50647456

Cc1cncn1CCCn1cc(C2=C(c3ccc(OCCCN4CCCC4)cc3)C(=O)NC2=O)c2ccccc21

BDBM50647457

Cc1cncn1CCCn1cc(C2=C(c3ccc(OCCCCN4CCCC4)cc3)C(=O)NC2=O)c2ccccc21

BDBM50647458

Cc1cncn1CCCn1cc(C2=C(c3ccc(OCCCn4ccnc4)cc3)C(=O)NC2=O)c2ccccc21

BDBM50647459

Cc1cncn1CCCn1cc(C2=C(c3ccc(OCCCCn4ccnc4)cc3)C(=O)NC2=O)c2ccccc21

BDBM50647460

COc1cc(C2=C(c3cn(CCCn4cncc4C)c4ccccc34)C(=O)NC2=O)ccc1OCCCN1CCOCC1

BDBM50647461

COc1cc(C2=C(c3cn(CCCn4cncc4C)c4ccccc34)C(=O)NC2=O)ccc1OCCCN1CCCCC1

BDBM50647462

COc1cc(C2=C(c3cn(CCCn4cncc4C)c4ccccc34)C(=O)NC2=O)ccc1OCCCCN1CCOCC1

BDBM50647463

COc1cc(C2=C(c3cn(CCCn4cncc4C)c4ccccc34)C(=O)NC2=O)ccc1OCCCCN1CCCCC1

BDBM50647464

COc1cc(C2=C(c3cn(CCCn4cncc4C)c4ccccc34)C(=O)NC2=O)ccc1OCCCc1ccccc1

BDBM50647465

COc1cc(C2=C(c3cn(CCCn4cncc4C)c4ccccc34)C(=O)NC2=O)ccc1OCCCCc1ccccc1

BDBM50649874

OCC/N=c1/nc(-c2ccccc2)n(-c2ccccc2)s1

BDBM50382627

N=c1nc(-c2ccccc2)n(s1)-c1ccccc1

BDBM50649884

c1ccc(-c2n/c(=N/Cc3cccnc3)sn2-c2ccccc2)cc1

BDBM50648239

c1ccc(-c2n/c(=N/CCN3CCOCC3)sn2-c2ccccc2)cc1

BDBM50651877

O=C1Cc2c([nH]c3ccc([N+](=O)[O-])cc23)-c2ncccc2N1

BDBM50652377

Nc1n[nH]c2nc(-c3ccc(Br)cc3)cc(-c3ccc(Br)cc3)c12

BDBM50652379

COc1ccc(-c2cc(-c3ccc(Br)cc3)nc3[nH]nc(N)c23)cc1OC

BDBM50652381

CCCCCCCCCCCCCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](COP(=O)(O)O)C(=O)N1CCC[C@H]1C(=O)O

BDBM50467836

C[C@@H](C(F)(F)F)N(Cc1ccc(cc1)F)C(=O)CN2C(=O)[C@]3(CCc4c3ccc(c4)NC(=O)NC)OC2=O

BDBM50652793

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

BDBM50652792

Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C

BDBM174948

Cc1cc2c(c[nH]c2nc1)Cc3ccc(nc3F)NCc4cc(cnc4OC)F

BDBM25121

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

BDBM112499

COc1cc2c(cc1NC(=O)/C=C/CN3CCCCC3)c(ncn2)Nc4ccc(c(c4)Cl)F

BDBM50337134

CCOc1cc(ccc1Nc2ncc3c(n2)N(c4ccccc4C(=O)N3C)C)N5CCC(CC5)O

BDBM50652893

C=CC(=O)Nc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1

BDBM50652900

C[C@H]1CC(=O)Nc2cc(C(=O)NCCC3CC3)ccc2N1C(=O)N1CC2CC2C1

BDBM50075102

Cc1cn(CCN2CCN(CC2)c2ccccc2-c2cc(cc(c2)C(=O)NCCCN2CCCC2)C#N)c2ccccc12

BDBM50256480

CCc1cc(Nc2nccc(n2)-c2c(nc3ccccn23)-c2ccc(OC)c(c2)C(=O)Nc2c(F)cccc2F)c(OC)cc1N1CCC(CC1)N1CCN(CC1)S(C)(=O)=O

BDBM50299148

C[C@]1(CCCN1c1nc(Nc2cc([nH]n2)C2CC2)c2cccn2n1)C(=O)Nc1ccc(F)nc1 |r|

BDBM185674

CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(nn3-c3ccc4ncccc4c3)C(C)(C)C)c(F)c2)ccn1

BDBM50391802

c1cc(c(cc1I)F)Nc2c(ccc(c2F)F)C(=O)N3CC(C3)([C@@H]4CCCCN4)O

BDBM50343559

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

BDBM50365463

CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12 |r,t:7|

BDBM50380682

COc1cc2c3n([C@H](C)c4ccccn4)c(=O)[nH]c3cnc2cc1-c1c(C)noc1C |r,wD:7.7,(46.55,-39.62,;46.55,-41.16,;47.89,-41.93,;49.21,-41.16,;50.55,-41.92,;51.88,-41.15,;52.18,-39.65,;51.41,-38.32,;49.87,-38.32,;52.18,-36.98,;51.41,-35.66,;52.17,-34.32,;53.72,-34.32,;54.49,-35.66,;53.72,-36.99,;53.7,-39.47,;54.46,-38.13,;54.34,-40.87,;53.21,-41.9,;53.22,-43.46,;51.89,-44.23,;50.55,-43.47,;49.22,-44.25,;47.88,-43.47,;46.55,-44.24,;46.51,-45.79,;47.74,-46.72,;45.04,-46.23,;44.16,-44.97,;45.09,-43.74,;44.64,-42.27,)|

BDBM50311017

O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1

BDBM50349102

CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC(F)(F)F)C(=O)NC3CCN(C)CC3)nc-21

BDBM16018

O=C1c2ccccc2-c2n[nH]c3cccc1c23

BDBM50503287

CC[C@@H]1CN(C[C@@H]1c1cnc2cnc3[nH]ccc3n12)C(=O)NCC(F)(F)F |r|

BDBM50182833

CC(NCc1ccc(cc1)C(=O)Nc1ncc(SCc2cc(C)c(C)c(c2)C(=O)N2CCN(CC2)C(C)=O)s1)C(C)(C)C

BDBM130909

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

BDBM6309

CC1=C(C(=O)N(c2c1cnc(n2)Nc3ccc(cn3)N4CCNCC4)C5CCCC5)C(=O)C

BDBM50267040

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

BDBM50267041

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

BDBM50267076

Brc1ccc(cc1)-c1coc2[nH]c(=O)c3cccn3c12

BDBM50267077

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

BDBM50267078

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

BDBM50267079

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

BDBM50267080

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

BDBM50267081

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

BDBM50267107

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

BDBM50240446

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

BDBM50267108

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

BDBM50267109

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

BDBM50240447

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

BDBM50267160

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

BDBM50267161

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

BDBM50275499

Fc1ccc(cc1)-c1nn2ccccc2c1-c1ccncc1

BDBM8344

Oc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2n1

BDBM7782

CCn1sc(=O)n(Cc2ccccc2)c1=O

BDBM50265884

ClCCn1c(=O)sn(-c2ccccc2)c1=O

BDBM50265885

CCOC(=O)Cn1sc(=O)n(-c2cccc(c2)C(=O)OCC)c1=O

BDBM50265886

CCOC(=O)Cn1sc(=O)n(-c2ccc(cc2)C(=O)OCC)c1=O

BDBM50266189

Fc1ccc(Cn2c(=O)sn(CCc3ccccc3)c2=O)cc1

BDBM50266190

CCOC(=O)Cn1sc(=O)n(CC(=O)N2CCCCC2)c1=O

BDBM50276464

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

BDBM50276517

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

BDBM50276515

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

BDBM50278836

NC[C@H](Cc1cccc(F)c1)NC(=O)c1cc(Br)c(s1)-c1ccnc2[nH]ccc12 |r|

BDBM50277910

O[C@H]1CC[C@@H](CC1)c1[nH]ncc1-c1ccnc(NC2CCCC2)n1 |r,wU:4.7,wD:1.0,(-.62,.56,;.73,1.31,;2.05,.52,;3.4,1.27,;3.42,2.81,;2.09,3.6,;.76,2.85,;4.88,3.29,;5.35,4.76,;6.89,4.76,;7.37,3.3,;6.14,2.4,;6.14,.86,;4.81,.09,;4.81,-1.46,;6.14,-2.23,;7.48,-1.46,;8.82,-2.23,;8.82,-3.77,;7.58,-4.66,;8.05,-6.13,;9.59,-6.12,;10.07,-4.66,;7.48,.09,)|

BDBM50267461

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

BDBM50267462

COCc1ccc2c(coc2c1)C1=C(C(=O)NC1=O)c1cn(C)c2ccc(F)cc12 |t:14|

BDBM50267520

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

BDBM50267523

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

BDBM50267562

COc1ccc2c(coc2c1)C1=C(C(=O)NC1=O)c1cn(C)c2cc(Cl)c(F)cc12 |t:13|

BDBM50267563

Cn1cc(C2=C(C(=O)NC2=O)c2coc3cc(OCC4CC4)ccc23)c2cc(F)c(Cl)cc12 |t:4|

BDBM50267564

Cn1cc(C2=C(C(=O)NC2=O)c2coc3cc(OCC4CCC4)ccc23)c2cc(F)c(Cl)cc12 |t:4|

BDBM50267565

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

BDBM50267604

COc1cccc2c(coc12)C1=C(C(=O)NC1=O)c1cn(C)c2cc(c(F)cc12)-c1ccc(Cl)cc1 |t:13|

BDBM50267606

COc1cccc2c(coc12)C1=C(C(=O)NC1=O)c1cn(C)c2ccc(Br)cc12 |t:13|

BDBM50267607

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

BDBM50267639

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

BDBM50267640

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

BDBM50267641

COc1ccc(COc2ccc3c(coc3c2)C2=C(C(=O)NC2=O)c2cn(C)c3ccc(Br)cc23)cc1 |t:19|

BDBM50267642

Cn1cc(C2=C(C(=O)NC2=O)c2coc3ccc(F)cc23)c2cc(Cl)ccc12 |t:4|

BDBM50267675

COc1cccc2c(coc12)C1=C(C(=O)NC1=O)c1cn(C)c2c(Br)cc(Br)cc12 |t:13|

BDBM50267676

Cn1cc(C2=C(C(=O)NC2=O)c2coc3ccccc23)c2cc(I)ccc12 |t:4|

BDBM50267677

Cn1cc(C2=C(C(=O)NC2=O)c2coc3ccc(F)cc23)c2cc(I)ccc12 |t:4|

BDBM50267678

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

BDBM50267679

Cn1cc(C2=C(C(=O)NC2=O)c2coc3ccccc23)c2cc(ccc12)C1CC1 |t:4|

BDBM50267715

Cn1cc(C2=C(C(=O)NC2=O)c2coc3ccc(F)cc23)c2cc(ccc12)C#CC1CC1 |t:4|

BDBM50267716

Cn1cc(C2=C(C(=O)NC2=O)c2coc3ccc(F)cc23)c2cc3OCOc3cc12 |t:4|

BDBM50267717

COc1cc2c(cn(C)c2cc1Cl)C1=C(C(=O)NC1=O)c1coc2ccccc12 |t:15|

BDBM50267718

COc1cc2c(cn(C)c2cc1I)C1=C(C(=O)NC1=O)c1coc2ccccc12 |t:15|

BDBM50267367

Cn1cc(C2=C(C(=O)NC2=O)c2coc3ccccc23)c2ccc(O)cc12 |t:4|

BDBM50267757

COc1cccc2c(coc12)C1=C(C(=O)NC1=O)c1cn(C)c2cc(ccc12)C(F)(F)F |t:13|

BDBM50267758

Cn1cc(C2=C(C(=O)NC2=O)c2coc3ccccc23)c2cccc(CO)c12 |t:4|

BDBM50267759

Cn1cc(C2=C(C(=O)NC2=O)c2coc3cc(CO)ccc23)c2cccc(CO)c12 |t:4|

BDBM50267760

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

BDBM50267800

COCc1cccc2c(cn(C)c12)C1=C(C(=O)NC1=O)c1coc2cc(CO)ccc12 |t:15|

BDBM50267801

CCOC(=O)CCc1cccc2c(cn(C)c12)C1=C(C(=O)NC1=O)c1coc2ccccc12 |t:19|

BDBM50267802

Cn1cc(C2=C(C(=O)NC2=O)c2coc3ccccc23)c2cccc(CCC(O)=O)c12 |t:4|

BDBM50267803

Cn1cc(C2=C(C(=O)NC2=O)c2coc3ccccc23)c2cccc(O)c12 |t:4|

BDBM50267845

Cn1cc(C2=C(C(=O)NC2=O)c2coc3cc(F)c(F)cc23)c2ccc3ccccc3c12 |t:4|

BDBM50258424

O[C@H]1CC[C@@H](CC1)Nc1ccc2nnc(-c3cccc(c3)C(F)(F)F)n2n1 |r,wU:1.0,wD:4.7,(9.27,-14.54,;10.6,-15.32,;11.94,-14.55,;13.26,-15.32,;13.27,-16.87,;11.93,-17.64,;10.6,-16.86,;14.6,-17.63,;15.94,-16.86,;15.94,-15.32,;17.27,-14.54,;18.59,-15.32,;20.06,-14.85,;20.97,-16.09,;20.06,-17.34,;20.82,-18.68,;20.03,-20,;20.78,-21.34,;22.32,-21.36,;23.11,-20.02,;22.35,-18.69,;24.65,-20.03,;26.17,-20.13,;24.7,-18.5,;24.61,-21.57,;18.59,-16.86,;17.27,-17.62,)|

BDBM50258287

FC(F)(F)c1cccc(c1)-c1nnc2ccc(NC3CCNCC3)nn12

BDBM50293162

C1CC1Nc1nccc(n1)-c1cnn2ncccc12

BDBM50293138

COc1ccc2c(cnn2n1)-c1ccnc(NC2CC2)n1

BDBM50293139

C1CC1Nc1nccc(n1)-c1cnn2nc(NC3CCCC3)ccc12

BDBM50293140

C=Cc1ccc2c(cnn2n1)-c1ccnc(NC2CC2)n1

BDBM50293141

C1CC1Nc1nccc(n1)-c1cnn2nc(ccc12)-c1cccs1

BDBM50293142

Fc1ccc(cc1)-c1ccc2c(cnn2n1)-c1ccnc(NC2CC2)n1

BDBM50293143

C1CC1Nc1nccc(n1)-c1cnn2nc(ccc12)N1CCOCC1

BDBM50293144

C1CC1Nc1nccc(n1)-c1cnn2nc(ccc12)N1CCCC1

BDBM50293145

O=c1ccc2c(cnn2[nH]1)-c1ccnc(NC2CC2)n1

BDBM50293146

CC(C)Oc1ccc2c(cnn2n1)-c1ccnc(NC2CC2)n1

BDBM50293147

FC(F)(F)CNc1nccc(n1)-c1cnn2ncccc12

BDBM50293148

Clc1ccc(CNc2nccc(n2)-c2cnn3ncccc23)cc1

BDBM50293149

C(CNc1nccc(n1)-c1cnn2ncccc12)CN1CCOCC1

BDBM50293151

CCN(CC)Cc1cccc(Nc2nccc(n2)-c2cnn3ncccc23)c1

BDBM50293152

[O-][N+](=O)c1ccc(Nc2nccc(n2)-c2cnn3ncccc23)cc1

BDBM50293153

[O-][N+](=O)c1cccc(Nc2nccc(n2)-c2cnn3ncccc23)c1

BDBM50293154

N#Cc1cccc(Nc2nccc(n2)-c2cnn3ncccc23)c1

BDBM50293155

N(c1cccc(c1)-c1cocn1)c1nccc(n1)-c1cnn2ncccc12

BDBM50293156

NC(=O)c1ccc(Nc2nccc(n2)-c2cnn3ncccc23)cc1

BDBM50293157

OC(=O)c1ccc(Nc2nccc(n2)-c2cnn3ncccc23)cc1

BDBM50293158

CCN(CC)CCNC(=O)c1cccc(Nc2nccc(n2)-c2cnn3ncccc23)c1

BDBM50293159

CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2cnn3nc(ccc23)-c2ccc(F)cc2)cc1

BDBM50293160

CC(C)Oc1ccc2c(cnn2n1)-c1ccnc(Nc2ccc(cc2)N2CCN(C)CC2)n1

BDBM50293161

CN(C)CC(O)COc1ccc(Nc2nccc(n2)-c2cnn3nc(ccc23)N2CCOCC2)cc1

BDBM50293166

CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2cnn3ncccc23)cc1

BDBM50293305

[O-][N+](=O)c1ccc(NCCNc2ncc(-c3ncc[nH]3)c(n2)-c2ccc(Cl)cc2Cl)nc1

BDBM50059889

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

BDBM50293306

COc1cc(C2=C(C(=O)NC2=O)c2cn(CCN3CCN(C)CC3)c3ccccc23)c2occc2c1 |t:5|

BDBM50293307

CCS(=O)(=O)Nc1ccc(CCNC(=O)c2ccc(O)c3nc([nH]c23)-c2ccc(F)cc2Cl)cc1

BDBM50293308

Cn1cc(C2=C(C(=O)NC2=O)c2cc(Cl)ccc2Cl)c2ccccc12 |t:4|

BDBM50293309

CCS(=O)(=O)Nc1ccc(CCNC(=O)c2ccc(O)c3nc([nH]c23)-c2ccc(Cl)cc2Cl)cc1

BDBM50293310

CCCCNc1nccc(n1)-c1cc(C(=O)NCCCc2cccnc2)c(=O)[nH]n1

BDBM50293311

Oc1ccc(cc1F)-c1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)[nH]n1

BDBM50293312

Oc1ccc(C(=O)NCCc2ccc(NC(=O)CN3CCOCC3)cc2)c2[nH]c(nc12)-c1ccc(F)cc1

BDBM50293313

Fc1ccc(CNC(=O)c2cc(n[nH]c2=O)-c2ccncc2)c(F)c1

BDBM50293314

CS(=O)(=O)NCCc1ccc(NC(=O)c2ccc(O)c3nc([nH]c23)-c2ccc(Cl)cc2Cl)cc1

BDBM50293315

Cn1cc(ccc1=O)-c1cc(-c2nc3ccccc3[nH]2)c(=O)[nH]n1

BDBM50293316

Nc1nc(Nc2ccccc2)sc1C(=O)C1CC1

BDBM50293317

O=c1sn(CCc2ccccc2)c(=O)n1Cc1ccccc1

BDBM50293318

CNc1nc(C)c(s1)-c1ccnc(Nc2ccc(cc2)N2CCN(Cc3ccccc3)CC2)n1

BDBM50162083

Cc1cc(Nc2nc(nc3ccccc23)-c2ccccc2)[nH]n1

BDBM50293672

Cc1cc(Nc2nc(Nc3ccccc3)nc3ccccc23)[nH]n1

BDBM50293673

CN(c1ccccc1)c1nc(Nc2cc(C)n[nH]2)c2ccccc2n1

BDBM50293674

Cc1cc(Nc2nc(Oc3ccccc3)nc3ccccc23)[nH]n1

BDBM50293675

Cc1cc(Nc2nc(Sc3ccccc3)nc3ccccc23)[nH]n1

BDBM50293676

Cc1cc(Nc2nc(Sc3ccccc3Cl)nc3ccccc23)[nH]n1

BDBM50293677

Cc1cc(Nc2nc(Sc3cccc(Cl)c3)nc3ccccc23)[nH]n1

BDBM50293678

Cc1cc(Nc2nc(Sc3ccc(Cl)cc3)nc3ccccc23)[nH]n1

BDBM50293679

Cc1cc(Nc2nc(Sc3cccc(Cl)c3Cl)nc3ccccc23)[nH]n1

BDBM50293680

Cc1cc(Nc2nc(Sc3ccc(Cl)cc3Cl)nc3ccccc23)[nH]n1

BDBM50293681

Cc1cc(Nc2nc(Sc3c(Cl)cccc3Cl)nc3ccccc23)[nH]n1

BDBM50293682

Cc1cc(Nc2nc(Sc3ccc(Cl)c(Cl)c3)nc3ccccc23)[nH]n1

BDBM50293683

COc1ccccc1Sc1nc(Nc2cc(C)n[nH]2)c2ccccc2n1

BDBM50293684

COc1ccc(Sc2nc(Nc3cc(C)n[nH]3)c3ccccc3n2)cc1

BDBM50293685

COc1ccc(Sc2nc(Nc3cc(C)n[nH]3)c3ccccc3n2)cc1OC

BDBM50293686

Cc1cc(Nc2nc(Sc3ccc4ccccc4c3)nc3ccccc23)[nH]n1

BDBM50293687

Cc1cc(Nc2nc(Sc3ccc(NS(C)(=O)=O)cc3)nc3ccccc23)[nH]n1

BDBM50293688

Cc1cc(Nc2nc(Sc3ccc(NC(=O)OC(C)(C)C)cc3)nc3ccccc23)[nH]n1

BDBM50277585

CC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)c3ccccc3n2)cc1

BDBM50293689

CN(C(C)=O)c1ccc(Sc2nc(Nc3cc(C)n[nH]3)c3ccccc3n2)cc1

BDBM50293690

CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)c3ccccc3n2)cc1

BDBM50293669

Cc1cc(Nc2nc(Sc3ccc(NC(=O)C4CC4)cc3)nc3ccccc23)[nH]n1

BDBM50293670

CC(=O)Nc1ccc(Sc2nc(Nc3ccn[nH]3)c3ccccc3n2)cc1

BDBM50293671

CC(=O)Nc1ccc(Sc2nc(Nc3cc(n[nH]3)C3CC3)c3ccccc3n2)cc1

BDBM50293701

Cc1cc(Nc2nc(nc3ccccc23)-c2ccncc2)[nH]n1

BDBM50295901

O=C1N(C(=O)C(=C1c1cn(CCCn2ccnc2)c2ccccc12)n1ccc2ncccc12)c1ccccc1 |c:5|

BDBM50295905

O=C1NC(=O)C(=C1c1c[nH]c2ccccc12)n1ccc2ncccc12 |c:5|

BDBM50295902

Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCN3CCOCC3)c3ccccc23)c2ncccc12 |t:4|

BDBM50295906

Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCn3ccnc3)c3ccccc23)c2ncccc12 |t:4|

BDBM50295907

Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCN3CCOCC3)c3ccccc23)c2ncccc12 |t:4|

BDBM50295908

Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCO)c3ccccc23)c2ncccc12 |t:4|

BDBM50295909

O=C1NC(=O)C(=C1c1cn(CCCn2ccnc2)c2ccccc12)n1ccc2ncccc12 |c:5|

BDBM50295910

COc1ccc2n(CCCn3ccnc3)cc(C3=C(C(=O)NC3=O)n3ccc4ncccc34)c2c1 |t:18|

BDBM50295903

Brc1ccc2n(CCCn3ccnc3)cc(C3=C(C(=O)NC3=O)n3ccc4ncccc34)c2c1 |t:17|

BDBM50295911

Brc1ccc2c(cn(CCCn3ccnc3)c2c1)C1=C(C(=O)NC1=O)n1ccc2ncccc12 |t:21|

BDBM50295912

Fc1ccc2c(cn(CCCn3ccnc3)c2c1)C1=C(C(=O)NC1=O)n1ccc2ncccc12 |t:21|

BDBM50295913

CN(C)CCCn1cc(C2=C(C(=O)NC2=O)n2ccc3ncccc23)c2ccccc12 |t:9|

BDBM50295914

COc1ccc2n(CCCN(C)C)cc(C3=C(C(=O)NC3=O)n3ccc4ncccc34)c2c1 |t:15|

BDBM50295915

CN(C)CCCn1cc(C2=C(C(=O)NC2=O)n2ccc3ncccc23)c2ccc(Br)cc12 |t:9|

BDBM50295916

CN(C)CCCn1cc(C2=C(C(=O)NC2=O)n2ccc3ncccc23)c2ccc(F)cc12 |t:9|

BDBM50295917

O=C1NC(=O)C(=C1c1cn(CCCN2CCCCC2)c2ccccc12)n1ccc2ncccc12 |c:5|

BDBM50295918

O=C1NC(=O)C(=C1c1cn(CCCN2CCOCC2)c2ccccc12)n1ccc2ncccc12 |c:5|

BDBM50295904

O=C1NC(=O)C(=C1c1cn(CCn2ccnc2)c2ccccc12)n1ccc2ncccc12 |c:5|

BDBM50295919

O=C1NC(=O)C(=C1c1cn(CCCCn2ccnc2)c2ccccc12)n1ccc2ncccc12 |c:5|

BDBM50297455

Cc1ccc2C(N=O)C(=O)N(Cc3cc(F)cc4COCOc34)c2c1

BDBM50299080

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

BDBM50299082

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

BDBM50299070

Cc1ccc(o1)-c1cnc2occ(-c3ccc(cc3)S(C)=O)c2c1

BDBM50299071

Cc1ccc(o1)-c1cc2c(coc2cn1)-c1ccc(cc1)S(C)=O

BDBM50299072

Cc1nnc(s1)-c1ccc2occ(-c3ccc(cc3)S(C)=O)c2c1

BDBM50299073

Cc1nnc([nH]1)-c1ccc2occ(-c3ccc(cc3)S(C)=O)c2c1

BDBM50299074

Cc1ccc(nn1)-c1ccc2occ(-c3ccc(cc3)S(C)=O)c2c1

BDBM50299075

Cc1nc(no1)-c1ccc2occ(-c3ccc(cc3)S(C)=O)c2c1

BDBM50299076

Cc1noc(n1)-c1ccc2occ(-c3ccc(cc3)S(C)=O)c2c1

BDBM50299077

CS(=O)c1ccc(cc1)-c1coc2ccc(cc12)-c1nnc(S)o1

BDBM50299078

CS(=O)c1ccc(cc1)-c1coc2ccc(cc12)-c1n[nH]c(=O)o1

BDBM50299079

CS(=O)c1ccc(cc1)-c1coc2ccc(cc12)-c1nnc(N)o1

BDBM50299081

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

BDBM50299083

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

BDBM50299084

CCS(=O)(=O)c1ccc(cc1)-c1coc2ccc(cc12)-c1ccc(C)o1

BDBM50299085

Cc1ccc(o1)-c1ccc2occ(-c3ccc(cc3)S(C)(=O)=O)c2c1

BDBM50299086

Cc1ccc(o1)-c1ccc2occ(-c3ccc(cc3)C(O)=O)c2c1

BDBM50299087

COc1ccc(cc1)-c1coc2ccc(cc12)-c1ccc(C)o1

BDBM50299088

CSc1ccc(cc1)-c1coc2ccc(cc12)-c1ccc(C)o1

BDBM50299089

Cc1ccc(o1)-c1ccc2occ(-c3ccc(cc3)C(N)=O)c2c1

BDBM50299090

COc1cccc(c1)-c1coc2ccc(cc12)-c1ccc(C)o1

BDBM50299091

Cc1ccc(o1)-c1ccc2occ(-c3ccncc3)c2c1

BDBM50299092

CC(=O)c1ccc(cc1)-c1coc2ccc(cc12)-c1ccc(C)o1

BDBM50299093

Cc1ccc(o1)-c1ccc2occ(-c3ccc(F)cc3)c2c1

BDBM50299094

CC(O)c1ccc(cc1)-c1coc2ccc(cc12)-c1ccc(C)o1

BDBM50299095

Cc1ccc(o1)-c1ccc2occ(-c3ccc(O)cc3)c2c1

BDBM50299096

COC(=O)c1ccc(cc1)-c1coc2ccc(cc12)-c1ccc(C)o1

BDBM50299097

Cc1ccc(o1)-c1ccc2occ(-c3cccc(c3)S(C)=O)c2c1

BDBM50299098

COP(=O)(OC)c1ccc(cc1)-c1coc2ccc(cc12)-c1ccc(C)o1

BDBM50299099

Cc1ccc(o1)-c1ccc2ncn(-c3ccc(cc3)S(C)=O)c2c1

BDBM50299100

Cc1ccc(o1)-c1ccc2scc(-c3ccc(cc3)S(C)=O)c2c1

BDBM50299101

Cc1ccc(o1)-c1ccc2ncc(-c3ccc(cc3)S(C)=O)n2c1

BDBM50299102

Cc1ccc(o1)-c1ccc2occ(-c3ccc(cc3)S(C)=O)c2n1

BDBM50303035

Cc1ccc(s1)-c1ccnc(Nc2ccc(cc2)S(N)(=O)=O)n1

BDBM50303036

CC(=O)NCC1CCN(CC1)c1nccc(n1)-c1ccc2ccccc2c1

BDBM50303037

NCC1CCN(CC1)c1nccc(n1)-c1ccc2ccccc2c1

BDBM50303038

NC1CCN(CC1)c1nccc(n1)-c1ccc2ccccc2c1

BDBM50303039

NS(=O)(=O)c1ccc(Nc2nccc(n2)-c2ccc3ccccc3c2)cc1

BDBM50303040

CN(c1ccc(cc1)S(N)(=O)=O)c1nccc(n1)-c1ccc(C)s1

BDBM50304439

CCSC1=NC(=NN(c2ccccc2)c2ccccc12)c1ccccc1 |c:5,t:3|

BDBM50304440

Clc1ccccc1C(=N)c1ccccc1N(NC(=O)c1ccccc1)c1ccccc1

BDBM50304441

c1ccc(cc1)-c1nc(-c2ccccc2)n(n1)-c1ccccc1

BDBM50304442

CC(N)Cc1cc(Cl)cs1

BDBM50304443

OC(CCl)c1sc(Br)c(Br)c1Br

BDBM50304444

O=C(Nn1c2ccccc2c2ccccc12)c1ccccc1

BDBM50304445

Clc1ccc2n(N=O)c3ccccc3c2c1

BDBM50304446

COc1cc2CCC(=O)c2cc1OC

CC(=O)c1ccc(Cl)cc1

CC(=O)c1ccccc1

CCOC(=O)c1ccccc1

Brc1cc(C=O)sc1Br

CCOC(=O)c1sc(C)c(C)c1O

BDBM50304451

CCOC(=O)c1sc(SC(C)=O)cc1O

c1cc(sc1)C=O

CCOC(=O)c1cccs1

ClCC(=O)c1cscc1Cl

ClCC(=O)c1c(Cl)c(Cl)sc1Br

BDBM7856

ClCC(=O)c1c(Br)sc(Br)c1Br

BDBM7854

ClCC(=O)c1cc(Br)cs1

BDBM7859

ClCC(=O)c1csc(c1)C(=O)CCl

BDBM7861

Cc1sc(cc1C(=O)CCl)C(=O)CCl

BDBM7863

Cc1ccsc1C(=O)CCl

BDBM7864

Cc1csc(c1)C(=O)CCl

BDBM50304453

Cc1c(CC(Cl)=O)csc1C(=O)CCl

BDBM7866

ClCC(=O)c1ccc(Cl)s1

BDBM7868

ClCC(=O)c1scc(Br)c1Br

BDBM7869

ClCC(=O)c1cc(Br)c(Br)s1

BDBM7871

CC(=O)c1ccc(s1)C(=O)CCl

BDBM7872

CC(=O)c1csc(c1)C(=O)CCl

BDBM7870

ClCC(=O)c1cc(Cl)sc1Cl

BDBM7862

Cc1cc(C(=O)CCl)c(C)s1

BDBM50304454

ClCCCC(=O)c1ccc(Cl)s1

BDBM50304455

ClCCCC(=O)c1ccc(Br)s1

BDBM50304456

BrCC(=O)c1scc(Br)c1Br

BDBM50304457

BrCC(=O)c1cc(Br)c(Br)s1

BDBM50304458

BrCC(=O)c1ccc(Br)s1

BDBM50304459

BrCC(=O)c1sc(Br)cc1Br

BDBM50304460

ClCCCC(=O)c1csc(Cl)c1Cl

BDBM50304461

CC(=O)OCC(=O)c1csc(Cl)c1Cl

BDBM50305006

NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12

BDBM50305878

Cc1n[nH]c2ccc(cc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)cnc1-c1ccoc1 |r|

BDBM50305879

Cc1n[nH]c2ncc(cc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)cnc1-c1ccoc1 |r|

BDBM50305880

Cc1n[nH]c2ccc(nc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)cnc1-c1ccoc1 |r|

BDBM50305881

Cc1n[nH]c2ncc(nc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)cnc1-c1ccoc1 |r|

BDBM50305882

Cc1[nH]nc2cnc(nc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)cnc1-c1ccoc1 |r|

BDBM50305883

Cc1n[nH]c2cnc(cc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)cnc1-c1ccoc1 |r|

BDBM50306154

Cc1n[nH]c2ncc(nc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)cnc1-c1ccoc1C |r|

BDBM50306155

Cc1n[nH]c2ccc(cc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c(N)nc1-c1ccoc1C |r|

BDBM50306156

Cc1n[nH]c2ncc(cc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c(N)nc1-c1ccoc1C |r|

BDBM50306157

Cc1n[nH]c2ncc(nc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c(N)nc1-c1ccoc1C |r|

BDBM50306158

Cc1n[nH]c2cnc(cc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c(N)nc1-c1ccoc1C |r|

BDBM50306159

Cc1n[nH]c2ncc(nc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c(nc1-c1ccoc1)C#N |r|

BDBM50306160

Cc1n[nH]c2ncc(nc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c(C)nc1-c1ccoc1 |r|

BDBM50306161

Cc1n[nH]c2ncc(nc12)-c1cc(OC[C@@H](N)Cc2ccccc2)c(N)nc1-c1ccoc1C |r|

BDBM50306162

CCNc1nc(-c2ccoc2)c(cc1OC[C@@H](N)Cc1ccccc1)-c1cnc2[nH]nc(C)c2n1 |r|

BDBM50306163

Cc1n[nH]c2ncc(nc12)-c1cc(OC[C@@H](N)Cc2c(Cl)[nH]c3ccccc23)c(N)nc1-c1ccoc1C |r|

BDBM50306164

Cc1n[nH]c2ncc(nc12)-c1cc(OC[C@@H](N)Cc2c([nH]c3ccccc23)C#N)c(N)nc1-c1ccoc1C |r|

BDBM50306165

Cc1n[nH]c2ncc(nc12)-c1cc(OC[C@@H](N)Cc2c([nH]c3ccccc23)C(N)=O)c(N)nc1-c1ccoc1C |r|

BDBM50307507

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

BDBM50307535

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

BDBM50307506

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

BDBM50310453

Cn1c(nc2ccccc12)-c1nonc1N

BDBM50168588

CCn1c(nc2ccccc12)-c1nonc1N

BDBM50310454

CC(C)n1c(nc2ccccc12)-c1nonc1N

BDBM50310455

Nc1nonc1-c1nc2ccccc2n1C1CC1

BDBM50310456

Nc1nonc1-c1nc2ccccc2n1C1CCC1

BDBM50310457

Nc1nonc1-c1nc2ccccc2n1C1CCCC1

BDBM50310458

Nc1nonc1-c1nc2ccccc2n1C1CCCCC1

BDBM50310459

c1ccc2c(c1)nc(n2CC3CC3)c4c(non4)N

BDBM50310460

Nc1nonc1-c1nc2ccccc2n1CC1CCC1

BDBM50310461

CC(C)Cn1c(nc2ccccc12)-c1nonc1N

BDBM50310462

Nc1nonc1-c1nc2ccccc2n1-c1ccccc1

BDBM50310463

Nc1nonc1-c1nc2ccccc2n1-c1ccccc1C#N |(29.45,-32.67,;29.92,-34.14,;31.39,-34.61,;31.39,-36.15,;29.92,-36.63,;29.02,-35.38,;27.48,-35.38,;26.57,-34.13,;25.09,-34.61,;23.75,-33.84,;22.42,-34.61,;22.42,-36.16,;23.76,-36.93,;25.09,-36.16,;26.57,-36.64,;27.04,-38.1,;28.54,-38.41,;29.03,-39.87,;27.99,-41.03,;26.48,-40.71,;26.01,-39.24,;24.51,-38.92,;23,-38.6,)|

BDBM50310464

Nc1nonc1-c1nc2ccccc2n1-c1cccc(c1)C#N

BDBM50310465

Nc1nonc1-c1nc2ccccc2n1-c1ccc(cc1)C#N

BDBM50310466

COc1ccccc1-n1c(nc2ccccc12)-c1nonc1N |(24.61,-6.88,;25.42,-5.57,;26.96,-5.62,;27.69,-6.97,;29.23,-7.01,;30.03,-5.69,;29.3,-4.35,;27.77,-4.31,;27.04,-2.96,;27.95,-1.7,;27.03,-.45,;25.56,-.93,;24.22,-.16,;22.9,-.93,;22.89,-2.48,;24.23,-3.25,;25.56,-2.48,;29.48,-1.7,;30.39,-2.95,;31.85,-2.47,;31.85,-.93,;30.39,-.46,;29.91,1.01,)|

BDBM50310467

COc1cccc(c1)-n1c(nc2ccccc12)-c1nonc1N

BDBM50310468

COc1ccc(cc1)-n1c(nc2ccccc12)-c1nonc1N

BDBM50310469

Nc1nonc1-c1nc2cc(O)ccc2n1C1CCC1

BDBM50310470

Nc1nonc1-c1nc2cc(N)ccc2n1C1CCC1

BDBM50310471

COc1ccc2n(C3CCC3)c(nc2c1)-c1nonc1N

BDBM50310472

COC(=O)c1ccc2n(C3CCC3)c(nc2c1)-c1nonc1N

BDBM50310473

CC(=O)Nc1ccc2n(C3CCC3)c(nc2c1)-c1nonc1N

BDBM50310474

Cc1ccc2n(C3CCC3)c(nc2c1)-c1nonc1N

BDBM50310475

Nc1nonc1-c1nc2cc(CO)ccc2n1C1CCC1

BDBM50310476

CC(C)Cn1cc(nc1-c1nonc1N)-c1ccccc1

BDBM50310477

CC(C)Cn1cc(C)nc1-c1nonc1N

BDBM50310478

CC(C)Cn1cc(nc1-c1nonc1N)C#N

BDBM50312153

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

BDBM50244787

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

BDBM50313652

CCCC(=O)Nc1n[nH]c2cc(ccc12)-c1ccncc1

BDBM50313653

CCCC(=O)Nc1n[nH]c2cc(ccc12)-c1ccsc1

BDBM50313654

CCCC(=O)Nc1n[nH]c2cc(ccc12)-c1ccc(N)nc1

BDBM50313655

CCCC(=O)Nc1n[nH]c2cc(ccc12)-c1ccc(OCc2ccccc2)cc1

BDBM50313656

CCCC(=O)Nc1n[nH]c2cc(ccc12)-c1ccccc1

BDBM50313657

CCCC(=O)Nc1n[nH]c2cc(ccc12)-c1ccccc1Cl

BDBM50313658

CCCC(=O)Nc1n[nH]c2cc(\C=C\C)ccc12

BDBM50313659

CCCC(=O)Nc1n[nH]c2cc(ccc12)-c1cc(F)cc(F)c1

BDBM50313660

CCCC(=O)Nc1n[nH]c2cc(ccc12)-c1ccc(cc1)C(C)(C)C

BDBM50313661

CCCC(=O)Nc1n[nH]c2cc(Cl)c(cc12)-c1ccccc1

BDBM50313662

CCCC(=O)Nc1n[nH]c2cc(Cl)c(cc12)-c1ccc(N)cc1

BDBM50313663

CCCC(=O)Nc1n[nH]c2cc(Cl)c(cc12)-c1ccc(O)cc1

BDBM50313664

CCCC(=O)Nc1n[nH]c2cc(Cl)c(cc12)-c1ccoc1

BDBM50313665

CCCC(=O)Nc1n[nH]c2cc(Cl)c(cc12)-c1ccc(CC)cc1

BDBM50313666

CCCC(=O)Nc1n[nH]c2cc(Cl)c(cc12)-c1ccc(C)cc1

BDBM50313667

CCCC(=O)Nc1n[nH]c2cc(Cl)c(cc12)-c1ccc(cc1)[N+]([O-])=O

BDBM50313668

CCCC(=O)Nc1n[nH]c2cc(Cl)c(cc12)-c1ccc(F)cc1

BDBM50313669

CCCC(=O)Nc1n[nH]c2cc(Cl)c(cc12)-c1ccc(OCc2ccccc2)cc1

BDBM50313670

CCCC(=O)Nc1n[nH]c2cc(-c3ccc(O)cc3)c(cc12)-c1ccco1

BDBM50313671

CCCC(=O)Nc1n[nH]c2cc(-c3ccc(O)cc3)c(cc12)-c1cccnc1

BDBM50313672

CCCC(=O)Nc1n[nH]c2cc(-c3ccc(O)cc3)c(cc12)-c1ccc(CC)cc1

BDBM50313673

CCCC(=O)Nc1n[nH]c2cc(-c3ccc(O)cc3)c(cc12)-c1ccoc1

BDBM50313674

CCCC(=O)Nc1n[nH]c2cc(-c3ccc(O)cc3)c(cc12)-c1ccc(O)cc1

BDBM50313675

CCCC(=O)Nc1n[nH]c2cc(-c3ccc(Oc4ccccc4)cc3)c(cc12)-c1ccc(Oc2ccccc2)cc1

BDBM50313676

CCCC(=O)Nc1n[nH]c2cc(-c3ccc(O)cc3)c(cc12)-c1ccccc1

BDBM50313677

CCCC(=O)Nc1n[nH]c2cc(-c3ccccc3)c(cc12)-c1ccccc1

BDBM50313678

CCCC(=O)Nc1n[nH]c2cc(c(Br)cc12)-c1ccc(O)cc1

BDBM50313679

CCCC(=O)Nc1n[nH]c2cc(Cc3ccccc3)ccc12

BDBM50313680

CCCC(=O)Nc1n[nH]c2cc(ccc12)-c1ccc(F)cc1

BDBM50313681

CCCC(=O)Nc1n[nH]c2cc(ccc12)-c1cc(Cl)cc(Cl)c1

BDBM50313682

CCCC(=O)Nc1n[nH]c2cc(ccc12)-c1ccc(OC(F)(F)F)cc1

BDBM50313683

CCCC(=O)Nc1n[nH]c2cc(ccc12)-c1ccc(SC)cc1

BDBM50313684

CCCC(=O)Nc1n[nH]c2cc(CCc3ccccc3)ccc12

BDBM50313685

CCCC(=O)Nc1n[nH]c2cc(ccc12)-c1ccc(cc1)C(F)(F)F

BDBM50313686

CCCC(=O)Nc1n[nH]c2cc(ccc12)-c1cccnc1

BDBM50313687

CCCC(=O)Nc1n[nH]c2cc(ccc12)-c1ccc(cc1)N(C)C

BDBM50313688

CCCC(=O)Nc1[nH]nc2cc(ccc12)-c1ccc(=O)[nH]c1

BDBM50313689

Cc1ccc(cc1)-c1ccc2c(NC(=O)CCC(O)=O)n[nH]c2c1

BDBM50313690

OC(=O)CCC(=O)Nc1n[nH]c2cc(ccc12)-c1ccc(cc1)C#N

BDBM50313691

CCCC(=O)Nc1n[nH]c2cc(ccc12)-c1ccc2OOCc2c1

BDBM50313692

CCCC(=O)Nc1n[nH]c2cc(ccc12)-c1ccc(cc1)[N+]([O-])=O

BDBM50313693

CCCC(=O)Nc1n[nH]c2cc(ccc12)-c1ccc(OC)cc1

BDBM50313694

CCCC(=O)Nc1n[nH]c2cc(ccc12)-c1ccc(CC)cc1

BDBM50313695

CCCC(=O)Nc1n[nH]c2cc(ccc12)-c1ccc(Cl)cc1

BDBM50313696

CCCC(=O)Nc1n[nH]c2c(F)c(Cl)c(cc12)-c1ccccc1

BDBM50313697

CCCC(=O)Nc1n[nH]c2c(Cl)c(Cl)c(cc12)-c1ccccc1

BDBM50313699

CCCC(=O)Nc1n[nH]c2cc(Cl)c(cc12)-c1ccncc1

BDBM50313700

CCCC(=O)Nc1n[nH]c2cc(Cl)c(Br)cc12

BDBM50313701

OC(=O)CCC(=O)Nc1n[nH]c2cc(Cl)ccc12

BDBM50313702

CCCC(=O)Nc1n[nH]c2cc(Cl)ccc12

BDBM50313703

CCCC(=O)Nc1n[nH]c2cc(ccc12)-c1ccc(O)c(O)c1

BDBM50313698

CCCC(=O)Nc1n[nH]c2cc(ccc12)-c1ccc(O)cc1

BDBM50313704

CCCC(=O)Nc1n[nH]c2cc(ccc12)-c1ccc(O)cc1Cl

BDBM50313705

CCCC(=O)Nc1n[nH]c2cc(ccc12)-c1ccc(N)cc1

BDBM50313706

CCCC(=O)Nc1n[nH]c2cc(ccc12)-c1cccc(O)c1

BDBM50313707

CCCC(=O)Nc1n[nH]c2cc(ccc12)C(F)(F)F

BDBM50313708

CCCC(=O)Nc1n[nH]c2cc(Br)ccc12

BDBM50313709

CCCC(=O)Nc1n[nH]c2cc(ccc12)-c1ccoc1

BDBM50314344

Cn1cc(\C=C2/Oc3cccc(O)c3C2=O)c2c(ccnc12)-c1ccc(cc1)C(=O)NCCO

BDBM50314525

Clc1cc2[nH]nc(NC(=O)Nc3ccccc3)c2cc1-c1ccccc1

BDBM50315888

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

BDBM25013

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

BDBM50316193

CCn1c(nc2c(nc(CCN)cc12)C#CC(C)(C)O)-c1nonc1N

BDBM50316186

CCn1c(nc2c(nc(CN)cc12)C#CC(C)(C)O)-c1nonc1N

BDBM50316187

CCn1c(nc2c(nc(CCCN)cc12)C#CC(C)(C)O)-c1nonc1N

BDBM50316194

CCn1c(nc2c(nc(CNC)cc12)C#CC(C)(C)O)-c1nonc1N

BDBM50316195

CCn1c(nc2c(nc(CN(C)C)cc12)C#CC(C)(C)O)-c1nonc1N

BDBM50316189

CCn1c(nc2c(nc(OCCN)cc12)C#CC(C)(C)O)-c1nonc1N

BDBM50316188

CCn1c(nc2c(nc(CN3CCCC3)cc12)C#CC(C)(C)O)-c1nonc1N

BDBM50316196

CCn1c(nc2c(nc(OCCCCN)cc12)C#CC(C)(C)O)-c1nonc1N

BDBM50316197

CCn1c(nc2c(nc(OCCCN)cc12)C#CC(C)(C)O)-c1nonc1N

BDBM50316198

CCn1c(nc2c(nc(OCCNC)cc12)C#CC(C)(C)O)-c1nonc1N

BDBM50316199

CCn1c(nc2c(nc(OC[C@@H](C)N)cc12)C#CC(C)(C)O)-c1nonc1N |r|

BDBM50316200

CCn1c(nc2c(nc(OC[C@H](C)N)cc12)C#CC(C)(C)O)-c1nonc1N |r|

BDBM50316190

CCn1c(nc2c(nc(OC[C@H](N)c3ccccc3)cc12)C#CC(C)(C)O)-c1nonc1N |r|

BDBM50316191

CCn1c(nc2c(nc(OC[C@@H](N)c3ccccc3)cc12)C#CC(C)(C)O)-c1nonc1N |r|

BDBM50316183

CCn1c(nc2c(nc(OC[C@H](N)Cc3ccccc3)cc12)C#CC(C)(C)O)-c1nonc1N |r|

BDBM50316201

CCn1c(nc2c(nc(OC[C@@H](N)Cc3ccccc3)cc12)C#CC(C)(C)O)-c1nonc1N |r|

BDBM50316192

CCn1c(nc2c(nc(O[C@@H](CN)c3ccccc3)cc12)C#CC(C)(C)O)-c1nonc1N |r|

BDBM50316182

CCn1c(nc2c(nc(O[C@H](CN)c3ccccc3)cc12)C#CC(C)(C)O)-c1nonc1N |r|

BDBM50316184

CCn1c(nc2c(nc(O[C@@H](CCN)c3ccccc3)cc12)C#CC(C)(C)O)-c1nonc1N |r|

BDBM50316185

CCn1c(nc2c(nc(O[C@H](CCN)c3ccccc3)cc12)C#CC(C)(C)O)-c1nonc1N |r|

BDBM41575

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

BDBM50277583

Cc1nc(N)sc1-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1

BDBM50320969

CC(C)CN(C)C(=O)c1ccc2cc([nH]c2c1)-c1n[nH]cc1-c1ccccc1

BDBM50320970

Cc1oncc1CNC(=O)c1ccc2cc([nH]c2c1)-c1n[nH]cc1-c1ccccc1

BDBM50320968

Cn1nccc1CNC(=O)c1ccc2cc([nH]c2c1)-c1n[nH]cc1-c1ccccc1

BDBM50320967

Cn1cncc1CNC(=O)c1ccc2cc([nH]c2c1)-c1n[nH]cc1-c1ccccc1

BDBM50321062

CN1CCN(CC1)c1ccc(NC(=O)c2ccc3NC(=O)C(=C4Nc5ccccc5C4=O)c3c2)cc1 |w:22.23|

BDBM50322824

CCCCC(=O)Nc1ncnc2nc([nH]c12)-c1ccc2ccccc2c1

BDBM50322825

CCCCC(=O)Nc1ncnc2nc([nH]c12)-c1cccc(c1)C#N

BDBM50322826

O=C(Nc1ncnc2nc([nH]c12)-c1ccc2ccccc2c1)C1CC1

BDBM50322827

O=C(Nc1ncnc2nc([nH]c12)-c1cccc(c1)C#N)C1CC1

BDBM50322828

Clc1cccc(c1)-c1nc2ncnc(NC(=O)C3CC3)c2[nH]1

BDBM50322829

N#Cc1cccc(c1)-c1nc2ncnc(Nc3ccccc3)c2[nH]1

BDBM50322830

N(c1ccccc1)c1ncnc2nc([nH]c12)-c1ccccc1

BDBM50325372

CN(C)CCNC(=O)c1ccc(cc1)-c1cnc2ccc(NCc3ccc(Cl)c(Cl)c3)nn12

BDBM50325373

Clc1ccc(CNc2ccc3ncc(-c4ccc(cc4)C(=O)NCCN4CCCC4)n3n2)cc1Cl

BDBM50325374

Clc1ccc(CNc2ccc3ncc(-c4ccc(cc4)C(=O)NC[C@@H]4CCCN4)n3n2)cc1Cl |r|

BDBM50325375

O=C(NC[C@@H]1CCCN1)c1ccc(cc1)-c1cnc2ccc(NCC3CC3)nn12 |r|

BDBM50325368

Clc1cccc(CNc2ccc3ncc(-c4ccc(cc4)C(=O)NC[C@@H]4CCCN4)n3n2)c1 |r|

BDBM50325369

CN(C)CCNC(=O)c1ccc(cc1)-c1cnc2ccc(NCC3CC3)nn12

BDBM50308060

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

BDBM50300690

CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1

BDBM50326054

CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4[C@H](O)NC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r|

BDBM13535

COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1

BDBM4814

CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C

BDBM50326901

CN1C(=O)C(NCCc2ccc(F)cc2)=C(C1=O)c1c(C)[nH]c2ccccc12 |c:15|

BDBM50327046

Cn1ccc2c1c(ncn2)Oc3ccc(c(c3)F)NC(=O)Nc4cccc(c4)C(F)(F)F

BDBM50327912

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

BDBM50329417

NC(=O)c1cc([nH]c1-c1ccccc1)-c1ccncc1F

BDBM50329427

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

BDBM50329463

NC(=O)c1cc([nH]c1-c1ccccc1)-c1ccnc(Nc2ccccc2)n1

BDBM50330261

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

BDBM50330262

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

BDBM50332495

O=C1NC(=O)\C(N1)=C/c1ccc(\C=C2/NC(=O)NC2=O)cc1

BDBM50232478

O[C@@]12CC\C=C/CCCCN3CC[C@@H](C(=C1)c1nccc4c5ccccc5[nH]c14)[C@]1(C[C@@H]4\C=C/CCCCN4[C@@H]21)C3 |r,c:4,14,36|

BDBM50332496

N(c1nnc(o1)-c1ccccc1)c1ccccc1

BDBM50332497

Clc1ccc(cc1)-c1nnc(Nc2ccccc2)o1

BDBM50332498

FC(F)(F)c1ccc(cc1)-c1nnc(Nc2ccccc2)o1

BDBM38948

Cc1ccc(cc1)-c1nnc(Nc2ccccc2)o1

BDBM50332499

CSc1ccc(cc1)-c1nnc(Nc2ccccc2)o1

BDBM50332500

CS(=O)(=O)c1ccc(cc1)-c1nnc(Nc2ccccc2)o1

BDBM50332501

CN(C)c1ccc(cc1)-c1nnc(Nc2ccccc2)o1

BDBM50332502

N#Cc1ccc(cc1)-c1nnc(Nc2ccccc2)o1

BDBM50332503

[O-][N+](=O)c1ccc(cc1)-c1nnc(Nc2ccccc2)o1

BDBM50332504

COc1ccc(cc1)-c1nnc(Nc2ccccc2)o1

BDBM50332505

Oc1ccc(cc1)-c1nnc(Nc2ccccc2)o1

BDBM50332506

Clc1ccc(Nc2nnc(o2)-c2ccccc2)cc1

BDBM50332507

Clc1ccc(Nc2nnc(o2)-c2ccc(Cl)cc2)cc1

BDBM50332508

FC(F)(F)c1ccc(cc1)-c1nnc(Nc2ccc(Cl)cc2)o1

BDBM50332509

Cc1ccc(cc1)-c1nnc(Nc2ccc(Cl)cc2)o1

BDBM50332510

CSc1ccc(cc1)-c1nnc(Nc2ccc(Cl)cc2)o1

BDBM50332511

CS(=O)(=O)c1ccc(cc1)-c1nnc(Nc2ccc(Cl)cc2)o1

BDBM50332512

CN(C)c1ccc(cc1)-c1nnc(Nc2ccc(Cl)cc2)o1

BDBM50332513

Clc1ccc(Nc2nnc(o2)-c2ccc(cc2)C#N)cc1

BDBM50332514

[O-][N+](=O)c1ccc(cc1)-c1nnc(Nc2ccc(Cl)cc2)o1

BDBM50332515

COc1ccc(cc1)-c1nnc(Nc2ccc(Cl)cc2)o1

BDBM50332516

Oc1ccc(cc1)-c1nnc(Nc2ccc(Cl)cc2)o1

BDBM50332517

COc1ccc(Nc2nnc(o2)-c2ccccc2)cc1

BDBM50332518

COc1ccc(Nc2nnc(o2)-c2ccc(Cl)cc2)cc1

BDBM50332519

COc1ccc(Nc2nnc(o2)-c2ccc(cc2)C(F)(F)F)cc1

BDBM50332520

COc1ccc(Nc2nnc(o2)-c2ccc(C)cc2)cc1

BDBM50332521

COc1ccc(Nc2nnc(o2)-c2ccc(SC)cc2)cc1

BDBM50332522

COc1ccc(Nc2nnc(o2)-c2ccc(cc2)S(C)(=O)=O)cc1

BDBM50332523

COc1ccc(Nc2nnc(o2)-c2ccc(cc2)N(C)C)cc1

BDBM50332524

COc1ccc(Nc2nnc(o2)-c2ccc(cc2)C#N)cc1

BDBM50332525

COc1ccc(Nc2nnc(o2)-c2ccc(cc2)[N+]([O-])=O)cc1

BDBM50332526

COc1ccc(Nc2nnc(o2)-c2ccc(OC)cc2)cc1

BDBM50332527

[O-][N+](=O)c1ccc(Nc2nnc(o2)-c2ccc(cc2)[N+]([O-])=O)cc1

BDBM50332528

O=C1NC(=O)\C(N1)=C\c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1

BDBM50332529

Oc1ccc(Nc2ncnc3nc[nH]c23)cc1CN(CCCl)CCCl

BDBM50332530

CSc1nc(N[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(Cl)c(=O)[nH]1 |r|

BDBM50332531

COc1ccc(cc1OC)-c1c2CCCCc2nc2nc(SCCc3ccccc3)nc(N)c12

BDBM50332532

COc1cc(\C=C2\NC(=O)NC2=O)cc(OC)c1OC

BDBM50332533

OC(=O)CCN(CCC(O)=O)c1ccc(C=C2SC(S)=NC2=O)cc1 |w:15.14,c:19|

BDBM50332534

COc1cc(ccc1O)-c1cc(nc2ncnc(N)c12)-c1cc(C)cc(Cl)c1O

BDBM50332535

COc1ccc(C=C2SC(O)=NC2=O)cc1S(O)(=O)=O |w:6.5,c:10|

BDBM50332536

COC(=O)C(=O)c1c(nc2nnc(N)n2c1-c1ccc(O)c(OC)c1)C(=O)OC

BDBM50332537

COc1ccc(cc1)-c1cc([nH]c(=O)c1O)-c1ccc(F)cc1

BDBM50332538

Cc1ccc(Nc2nnc(o2)-c2ccc(cc2)[N+]([O-])=O)cc1Cl

BDBM50332539

COc1cc(\C=C2/NC(=O)NC2=O)ccc1OCC(=O)C1CCOCC1

BDBM50332540

O=C1NC(=O)\C(N1)=C\c1cccc2OCOc12

BDBM50332541

[#6]-[#8]-c1ccc(-[#6]-[#6]-[#7]-2-[#6]-[#8]-c3c(-[#6]-2)c(-[#6])ccc3-[#6@@H](-[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])cc1-[#8]-[#6] |r|

BDBM50413752

COc1cc(O)c2c(CCCC(=O)C(=O)C(O)CCC[C@H](C)OC2=O)c1 |r|

BDBM50335374

COc1cc(O)c2c(CCC[C@H](O)CC(=O)C=CC[C@H](C)OC2=O)c1 |r,w:17.17|

BDBM50336457

COc1cc(O)c2c(CCCC(=O)C(=O)C(=O)CCC[C@H](C)OC2=O)c1 |r|

BDBM50336459

COc1cc(O)c2c(c1)C=CCCCC(=O)C=CC[C@H](C)OC2=O |r,w:16.16,9.9|

BDBM50337304

CCCc1cn(nn1)-c1ccc2[nH]ncc2c1

BDBM50337305

COCc1cn(nn1)-c1ccc2[nH]ncc2c1

BDBM50337306

OCCCc1cn(nn1)-c1ccc2[nH]ncc2c1

BDBM50337307

C1CC1c1cn(nn1)-c1ccc2[nH]ncc2c1

BDBM50337308

C1CCC(C1)c1cn(nn1)-c1ccc2[nH]ncc2c1

BDBM50337309

C(C1CCCCC1)c1cn(nn1)-c1ccc2[nH]ncc2c1

BDBM50337310

C(c1cn(nn1)-c1ccc2[nH]ncc2c1)c1ccccc1

BDBM50337311

C(Cc1ccccc1)c1cn(nn1)-c1ccc2[nH]ncc2c1

BDBM50337312

C(Cc1cn(nn1)-c1ccc2[nH]ncc2c1)Cc1ccccc1

BDBM50337313

c1[nH]nnc1-c1ccc2n[nH]cc2c1

BDBM50337314

C(c1ccccc1)n1cc(nn1)-c1ccc2[nH]ncc2c1

BDBM50337315

Nc1n[nH]c2ccc(cc12)-c1cn(Cc2ccccc2)nn1

BDBM50337316

Clc1ccccc1Cn1cc(nn1)-c1ccc2[nH]ncc2c1

BDBM50337317

Clc1cccc(Cn2cc(nn2)-c2ccc3[nH]ncc3c2)c1

BDBM50337318

Clc1ccc(Cn2cc(nn2)-c2ccc3[nH]ncc3c2)cc1

BDBM50337319

Fc1ccccc1Cn1cc(nn1)-c1ccc2[nH]ncc2c1

BDBM50337320

Fc1cccc(Cn2cc(nn2)-c2ccc3[nH]ncc3c2)c1

BDBM50337330

Fc1ccc(Cn2cc(nn2)-c2ccc3[nH]ncc3c2)cc1

BDBM50337321

Cc1cccc(Cn2cc(nn2)-c2ccc3[nH]ncc3c2)c1

BDBM50337322

Clc1cccc(Cn2cc(nn2)-c2ccc3[nH]ncc3c2)c1Cl

BDBM50337329

Clc1ccc(Cl)c(Cn2cc(nn2)-c2ccc3[nH]ncc3c2)c1

BDBM50337323

Clc1cc(Cl)cc(Cn2cc(nn2)-c2ccc3[nH]ncc3c2)c1

BDBM50337324

C(c1cc(on1)-c1ccc2[nH]ncc2c1)c1ccccc1

BDBM50337325

Nc1n[nH]c2ccc(cc12)-c1cc(Cc2ccccc2)no1

BDBM50337326

CCCc1cc(on1)-c1ccc2[nH]ncc2c1

BDBM50337327

CNC(=O)c1cc(on1)-c1ccc2[nH]ncc2c1

BDBM50337328

C(N1CCCCC1)c1cc(on1)-c1ccc2[nH]ncc2c1

BDBM50337365

c1n[nH]c2ccc(cc12)-c1cn2cccnc2n1

BDBM50337366

c1n[nH]c2ccc(cc12)-c1nc2ncccn2c1-c1ccccc1

BDBM50337367

Cc1nc(cs1)-c1ccc2[nH]ncc2c1

BDBM50337368

Nc1nc(cs1)-c1ccc2[nH]ncc2c1

BDBM50337369

CCNc1nc(cs1)-c1ccc2[nH]ncc2c1

BDBM50337370

N(c1nc(cs1)-c1ccc2[nH]ncc2c1)c1ccccc1

BDBM50337371

C(Nc1nc(cs1)-c1ccc2[nH]ncc2c1)c1ccccc1

BDBM50337372

C(Cc1ccccc1)Nc1nc(cs1)-c1ccc2[nH]ncc2c1

BDBM50337373

N(c1nc(c(s1)-c1ccccc1)-c1ccc2[nH]ncc2c1)c1ccccc1

BDBM50337374

C(Nc1nc(c(s1)-c1ccccc1)-c1ccc2[nH]ncc2c1)c1ccccc1

BDBM50337375

C1CCC(CC1)Nc1c(nc2ccccn12)-c1ccc2[nH]ncc2c1

BDBM50337377

C1CCC(CC1)Nc1c(nc2ncccn12)-c1ccc2[nH]ncc2c1

BDBM50337378

CC(C)Nc1c(nc2ncccn12)-c1ccc2[nH]ncc2c1

BDBM50337379

CCCCNc1c(nc2ncccn12)-c1ccc2[nH]ncc2c1

BDBM50337380

Clc1ccc(Nc2c(nc3ncccn23)-c2ccc3[nH]ncc3c2)cc1

BDBM50337381

C1CCC(CC1)Nc1c(nc2sccn12)-c1ccc2[nH]ncc2c1

BDBM50337382

CN(C)CCn1cnc(c1-c1ccc2[nH]ncc2c1)-c1ccc(F)cc1

BDBM50337383

Fc1ccc(cc1)-c1ncn(CCN2CCOCC2)c1-c1ccc2[nH]ncc2c1

BDBM50337384

Fc1ccc(cc1)-c1ncn(CCCN2CCOCC2)c1-c1ccc2[nH]ncc2c1

BDBM50337385

Fc1ccc(cc1)-c1ncn(C2CCN(Cc3ccccc3)C2)c1-c1ccc2[nH]ncc2c1

BDBM50272192

Cc1cc(ccc1O)-c1cc(nc(=O)[nH]1)-c1ccccc1

BDBM50337543

Cn1c(cc(cc1=O)-c1ccncn1)-c1ccccc1

BDBM50337544

CCN(CC)c1cc(cc(=O)n1C)-c1ccncn1

BDBM50337545

Cn1c(cc(cc1=O)-c1ccncn1)N1CCCCC1

BDBM50337546

Cn1c(cc(cc1=O)-c1ccncn1)N1CCOCC1

BDBM50337547

Cn1c(NCCc2ccccc2)cc(cc1=O)-c1ccncn1

BDBM50337548

COc1ccccc1CCNc1cc(cc(=O)n1C)-c1ccncn1

BDBM50337549

COc1cccc(CCNc2cc(cc(=O)n2C)-c2ccncn2)c1

BDBM50337550

COc1ccc(CCNc2cc(cc(=O)n2C)-c2ccncn2)cc1

BDBM50337551

COc1ccccc1CNc1cc(cc(=O)n1C)-c1ccncn1

BDBM50337552

COc1ccccc1CCCNc1cc(cc(=O)n1C)-c1ccncn1

BDBM50337553

COc1ccccc1CCN(C)c1cc(cc(=O)n1C)-c1ccncn1

BDBM50337554

COc1ccccc1C1CCCN(C1)c1cc(cc(=O)n1C)-c1ccncn1

BDBM50337555

COc1ccccc1C1CCN(CC1)c1cc(cc(=O)n1C)-c1ccncn1

BDBM50337556

Cn1c(cc(cc1=O)-c1ccncn1)N1CCC(O)(CC1)c1ccccc1

BDBM50337557

COc1ccccc1[C@H]1CN(CCO1)c1cc(cc(=O)n1C)-c1ccncn1 |r|

BDBM50337558

COc1ccccc1[C@@H]1CN(CCO1)c1cc(cc(=O)n1C)-c1ccncn1 |r|

BDBM50337559

Cn1c(cc(cc1=O)-c1ccncn1)N1CCCC(C1)c1ccccc1

BDBM11242

c1cc(c(cc1[N+](=O)[O-])Cl)NC(=O)c2cc(ccc2O)Cl

BDBM50340902

Nc1nc(Nc2cccnc2)sc1C(=O)c1ccccc1F

BDBM50341243

CNc1nc(cc(n1)-c1ccc2c(N)n[nH]c2c1)N1C[C@H](CC[C@H]1C)C(=O)NC1CCCCC1 |r|

BDBM50341519

CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r|

ClCC(=O)c1ccccc1

c1ccc(cc1)C(=O)CBr

ClCC(=O)c1ccc(Cl)cc1

Clc1ccc(cc1)C(=O)CBr

c1cc(ccc1C(=O)CBr)Br

Cc1ccc(cc1)C(=O)CBr

BrCC(=O)c1ccc(cc1)-c1ccccc1

BDBM7879

COc1ccc(cc1)C(=O)CBr

BDBM50119691

[O-][N+](=O)c1ccc(cc1)C(=O)CBr

BDBM50347508

Brc1ccc(cc1)C(=O)CI

BDBM50347509

Brc1ccc(cc1)C(=O)CN1C(=O)c2ccccc2C1=O

BDBM50347510

c1cc(ccc1C(=O)CN)Br

BDBM50347511

CCSCC(=O)c1ccc(Br)cc1

BDBM50347512

Brc1ccc(cc1)C(=O)CSc1ccccc1

BDBM50347513

Brc1ccc(cc1)C(=O)CSCc1ccccc1

BDBM50347514

CC(=O)OCC(=O)c1ccc(Br)cc1

BDBM50347515

OCC(=O)c1ccc(Br)cc1

BDBM50347516

BrCC(N=O)c1ccc(Br)cc1

BDBM50347517

CO\N=C(/CBr)c1ccc(Br)cc1

BDBM50347518

ClCS(=O)c1ccc(Br)cc1

BDBM50347519

BrCC(=O)c1ccc(cc1)C#N

BDBM50347520

BrC(Br)C(=O)c1ccc(cc1)C#N

BDBM50119685

FC(F)(F)c1ccc(cc1)C(=O)CBr

BDBM50347521

FC(F)(F)c1ccc(cc1)C(=O)C(Br)Br

BDBM50347522

BrCC(=O)c1ccc(cc1)N1CCOCC1

BDBM50347523

BrC(Br)C(=O)c1ccc(I)cc1

BDBM50347524

BrCC(=O)c1cccc(c1)C#N

BDBM50347525

BrC(Br)C(=O)c1cccc(c1)C#N

BDBM50347526

Nc1c(Br)cc(cc1Br)C(=O)C(Br)Br

BDBM50347527

BrC(Br)C(=O)c1ccccn1

BDBM50347528

CC(=O)n1cnc2c(N)ncnc12

BDBM50347529

Nc1ncnc2n(cnc12)C(=O)CCl

BDBM50347530

CC(=O)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12 |t:3|

BDBM50347531

BrCC(=O)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12 |t:4|

BDBM50347532

COc1ccc(cc1)-n1cnc2cc(ccc12)C(C)=O

BDBM50347533

COc1ccc(cc1)-n1cnc2cc(ccc12)C(=O)CBr

BDBM50347534

CC(=O)C1=C(C(=O)NC1=O)c1cn(C)c2ccccc12 |t:3|

BDBM50347535

Cn1cc(C2=C(C(=O)CBr)C(=O)NC2=O)c2ccccc12 |c:4|

BDBM50352490

COc1ccc(CNC(=O)Nc2cc(ccn2)-c2cccnc2F)cc1

BDBM50352491

COc1ccc(CNC(=O)Nc2cc(ccn2)C#N)cc1

BDBM50352492

COc1ccc(CNC(=O)Nc2nc3ccc(cc3s2)[N+]([O-])=O)cc1

BDBM50352493

COc1ccc(CNC(=O)Nc2cc(ccn2)-c2nnn[nH]2)cc1

BDBM50352494

COc1ccc(CNC(=O)Nc2nc3ccc(cc3s2)-c2nnn[nH]2)cc1

BDBM50354747

Nc1ccc(CCNc2c(F)c(N)c3c(c2F)n(cc(C(O)=O)c3=O)C2CC2)cc1

BDBM50354748

CC(C)Nc1c(F)c(N)c2c(c1F)n(cc(C(O)=O)c2=O)C1CC1

BDBM50354749

Nc1c(F)c(NC2CCCCC2)c(F)c2n(cc(C(O)=O)c(=O)c12)C1CC1

BDBM50354750

Nc1c(F)c(NCCc2c[nH]c3ccccc23)c(F)c2n(cc(C(O)=O)c(=O)c12)C1CC1

BDBM50354751

Nc1c(F)c(NCCN2CCOCC2)c(F)c2n(cc(C(O)=O)c(=O)c12)C1CC1

BDBM50354752

Nc1c(F)c(NCCc2ccccc2)c(F)c2n(cc(C(O)=O)c(=O)c12)C1CC1

BDBM50354753

Nc1c(F)c(NCCCc2ccccc2)c(F)c2n(cc(C(O)=O)c(=O)c12)C1CC1

BDBM50354754

Nc1c(F)c(NCCCCc2ccccc2)c(F)c2n(cc(C(O)=O)c(=O)c12)C1CC1

BDBM50354755

Nc1c(F)c(NCCn2ccnc2)c(F)c2n(cc(C(O)=O)c(=O)c12)C1CC1

BDBM50354756

Nc1c(F)c(NCCCn2ccnc2)c(F)c2n(cc(C(O)=O)c(=O)c12)C1CC1

BDBM50354757

Nc1c(F)c(NCCNc2cccc3ccccc23)c(F)c2n(cc(C(O)=O)c(=O)c12)C1CC1

BDBM50354758

Nc1c(F)c(NCCc2ccncc2)c(F)c2n(cc(C(O)=O)c(=O)c12)C1CC1

BDBM50354759

Nc1c(F)c(NCCNc2ccccn2)c(F)c2n(cc(C(O)=O)c(=O)c12)C1CC1

BDBM50354760

CC(C)OCCCNc1c(F)c(N)c2c(c1F)n(cc(C(O)=O)c2=O)C1CC1

BDBM50354761

COc1c(NCCCc2ccccc2)c(F)cc2c1n(cc(C(O)=O)c2=O)C1CC1

BDBM50354762

COc1c(NCCCc2ccccc2)c(F)c(N)c2c1n(cc(C(O)=O)c2=O)C1CC1

BDBM50354763

COc1c(NCCNc2cccc3ccccc23)c(F)cc2c1n(cc(C(O)=O)c2=O)C1CC1

BDBM50354764

COc1c(NCCNc2cccc3ccccc23)c(F)c(N)c2c1n(cc(C(O)=O)c2=O)C1CC1

BDBM50354765

Nc1c(F)c(NCCNc2ccccn2)cc2n(cc(C(O)=O)c(=O)c12)C1CC1

BDBM50354766

COc1c(NCCNc2ccccn2)c(F)c(N)c2c1n(cc(C(O)=O)c2=O)C1CCCC1

BDBM50354767

Nc1c(F)c(NCCNc2ccccn2)c(F)c2n(cc(C(O)=O)c(=O)c12)C1CCCC1

BDBM50354768

COc1c(NCCNc2ccccn2)c(F)c(N)c2c(O)c(cnc12)C(O)=O

BDBM50354769

COc1c(NCCNc2ccccn2)c(F)c(N)c2c1n(C)cc(C(O)=O)c2=O

BDBM50354770

COc1c(NCCNc2ccccn2)c(F)c(N)c2c1n(CCC(C)C)cc(C(O)=O)c2=O

BDBM50354771

C[C@@H]1COc2c(NCCNc3ccccn3)c(F)c(N)c3c2n1cc(C(O)=O)c3=O |r|

BDBM50354772

C[C@H]1COc2c(NCCNc3ccccn3)c(F)c(N)c3c2n1cc(C(O)=O)c3=O |r|

BDBM50354773

CC(C)[C@@H]1COc2c(NCCNc3ccccn3)c(F)c(N)c3c2n1cc(C(O)=O)c3=O |r|

BDBM50354774

CC(C)[C@H]1COc2c(NCCNc3ccccn3)c(F)c(N)c3c2n1cc(C(O)=O)c3=O |r|

BDBM50354775

CC1(C)COc2c(NCCNc3ccccn3)c(F)c(N)c3c2n1cc(C(O)=O)c3=O

BDBM50354776

CC1(C)Cn2cc(C(O)=O)c(=O)c3c(N)c(F)c(NCCNc4ccccn4)c(O1)c23

BDBM50354777

CC1(C)COc2c(NCCNc3ccccn3)c(F)c(N)c3c2n(C1)cc(C(O)=O)c3=O

BDBM50354778

Nc1c(F)c(NCCNc2ccccn2)c2OCC3(CCC3)n3cc(C(O)=O)c(=O)c1c23

BDBM50354779

Nc1c(F)c(NCCNc2ccccn2)c2OCC3(CCCC3)n3cc(C(O)=O)c(=O)c1c23

BDBM50354780

COc1c(NCCNc2ccccn2)c(F)c(N)c2c1n(cc(C(O)=O)c2=O)C1CC1

BDBM50355393

CCN1CCN(CC1)c2ccc(cc2)Nc3cc(ncn3)N(C)C(=O)Nc4c(c(cc(c4Cl)OC)OC)Cl

BDBM50026612

CN1CCN(CC1)CC(=O)N(C)c2ccc(cc2)N/C(=C\3/c4ccc(cc4NC3=O)C(=O)OC)/c5ccccc5

BDBM25117

CNC(=O)c1ccccc1Sc2ccc3c(c2)[nH]nc3/C=C/c4ccccn4

BDBM25617

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

BDBM25919

Cc1cnc2c(NCCN)nc3ccc(C)cc3n12

BDBM50355494

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

BDBM32362

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

BDBM4779

C=CC(=O)Nc1cc2c(cc1OCCCN3CCOCC3)ncnc2Nc4ccc(c(c4)Cl)F

BDBM6568

CN1c2c(cnc(n2)Nc3cccc(c3)SC)C=C(C1=O)c4c(cccc4Cl)Cl

BDBM13534

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

BDBM482158

CC(C)S(=O)(=O)c1ccccc1Nc2c(cnc(n2)Nc3ccc(cc3OC)N4CCC(CC4)N5CCN(CC5)C)Cl

BDBM25028

CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1

BDBM36409

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

BDBM31088

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

BDBM26474

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

BDBM50355501

c1c[nH]c2c1c(ncn2)c3cnn(c3)[C@H](CC#N)C4CCCC4

BDBM24773

CC1(CNc2c1ccc(c2)NC(=O)c3cccnc3NCc4ccncc4)C

BDBM4552

CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(c(cn3)C#N)Nc4cc(c(cc4Cl)Cl)OC

BDBM50331096

COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1

BDBM31095

Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1

BDBM15138

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

BDBM50242737

Cc1[nH]c(\C=C2/C(=O)Nc3ccc(cc23)S(=O)(=O)Cc2c(Cl)cccc2Cl)c(C)c1C(=O)N1CCC[C@@H]1CN1CCCC1 |r|

BDBM5447

COc1cc2c(cc1OCCCN3CCOCC3)c(ncn2)Nc4ccc(c(c4)Cl)F

BDBM25628

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

BDBM5446

COCCOc1cc2c(cc1OCCOC)ncnc2Nc3cccc(c3)C#C

BDBM50355497

Cn1cnc2c1cc(c(c2F)Nc3ccc(cc3Cl)Br)C(=O)NOCCO

BDBM5445

CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1

BDBM50306682

C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|

BDBM50184807

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

BDBM60589

Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1

BDBM50355500

C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(CN3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F |r|

BDBM24654

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

BDBM31093

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

BDBM50161957

CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C

BDBM13216

Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl

BDBM50193995

C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|

BDBM21079

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

BDBM25084

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

BDBM50332294

Cc1cnc(nc1Nc2cccc(c2)S(=O)(=O)NC(C)(C)C)Nc3ccc(cc3)OCCN4CCCC4

BDBM50322823

CN(C)C/C=C/C(=O)Nc1cc2c(cc1O[C@H]3CCOC3)ncnc2Nc4ccc(c(c4)Cl)F

BDBM15244

c1cc(c(c(c1)Cl)C2=C3C=CC(=NN3C=NC2=O)Sc4ccc(cc4F)F)Cl

BDBM50355496

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

BDBM50128285

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

BDBM60665

CC1(C(=O)Nc2c(ccc(n2)Nc3c(cnc(n3)Nc4cc(c(c(c4)OC)OC)OC)F)O1)C

BDBM4851

Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1

BDBM26300

CCN(CCCOc1ccc2c(c1)ncnc2Nc3cc(n[nH]3)CC(=O)Nc4cccc(c4)F)CCO

BDBM27817

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

BDBM21

CN1CCC(CC1)COc2cc3c(cc2OC)c(ncn3)Nc4ccc(cc4F)Br

BDBM13530

CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1

BDBM50355499

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

BDBM50309910

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

BDBM50355504

COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)NC4=CCC(F)C=C4)cc3F)ccnc2cc1OCCCN1CCOCC1 |c:26,t:21|

BDBM31085

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

BDBM50355495

Cc1ccc(cc1Nc2nc(cs2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C

BDBM50237710

Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F

BDBM50132260

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

BDBM25045

Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1

BDBM50355903

Oc1ccc(cc1)-c1cncc(c1)-c1cc2cc(O)ccc2[nH]1

BDBM50355904

Oc1ccc2[nH]c(cc2c1)-c1cncc(c1)-c1ccc(cc1)C#N

BDBM50355905

CS(=O)(=O)c1ccc(cc1)-c1cncc(c1)-c1cc2cc(O)ccc2[nH]1

BDBM50355906

Oc1ccc(cc1)-c1cncc(n1)-c1cc2cc(O)ccc2[nH]1

BDBM50355907

Oc1ccc2[nH]c(cc2c1)-c1cncc(n1)-c1ccc(cc1)C#N

BDBM50355908

CS(=O)(=O)c1ccc(cc1)-c1cncc(n1)-c1cc2cc(O)ccc2[nH]1

BDBM50355909

Oc1ccc(cc1)-c1cncc(c1)-c1cc2ccc(O)cc2[nH]1

BDBM50355910

Oc1ccc2cc([nH]c2c1)-c1cncc(c1)-c1ccc(cc1)C#N

BDBM50355911

CS(=O)(=O)c1ccc(cc1)-c1cncc(c1)-c1cc2ccc(O)cc2[nH]1

BDBM50355912

Oc1ccc(cc1)-c1cncc(n1)-c1cc2ccc(O)cc2[nH]1

BDBM50355913

Oc1ccc2cc([nH]c2c1)-c1cncc(n1)-c1ccc(cc1)C#N

BDBM50355914

CS(=O)(=O)c1ccc(cc1)-c1cncc(n1)-c1cc2ccc(O)cc2[nH]1

BDBM50357884

[O-][n+]1ccc2c(ccnc2c1-c1c(Cl)cccc1Cl)-c1ccc(F)cc1Cl |(12.75,-22.82,;14.08,-22.05,;14.08,-20.51,;15.41,-19.74,;16.75,-20.5,;18.08,-19.73,;19.42,-20.51,;19.42,-22.05,;18.08,-22.82,;16.74,-22.05,;15.42,-22.83,;15.42,-24.36,;14.08,-25.13,;12.75,-24.36,;14.09,-26.67,;15.42,-27.44,;16.76,-26.66,;16.75,-25.12,;18.08,-24.34,;18.08,-18.2,;19.42,-17.43,;19.42,-15.89,;18.08,-15.12,;18.08,-13.58,;16.75,-15.89,;16.75,-17.43,;15.42,-18.2,)|

BDBM50358430

CC(C)(CC(=O)NCCn1ccc2c1c(ncn2)Nc3ccc(c(c3)Cl)Oc4cccc(c4)C(F)(F)F)O

BDBM50359359

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

BDBM50360605

Fc1ccc2[nH]c(cc2c1)C(=O)N1C[C@]2(CCN(C2)C2CCCNC2)c2ccccc12 |r|

BDBM50360611

Fc1ccc2cc([nH]c2c1)C(=O)N1C[C@]2(CCN(C2)C2CCNC2)c2ccccc12 |r|

BDBM50360609

C[C@@H]1CCC(CN1)N1CC[C@@]2(C1)CN(C(=O)c1cc3ccccc3[nH]1)c1ccccc21 |r|

BDBM50360610

C[C@@H]1CCC(CN1)N1CC[C@@]2(C1)CN(C(=O)c1cc3ccc(F)cc3[nH]1)c1ccccc21 |r|

BDBM50361089

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

BDBM50361088

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

BDBM50361642

CC(C)n1cc(C(=O)c2cncc(N[C@@H]3CCN(C=O)[C@@H]3c3ccc(F)cc3)n2)c2c(N)ncnc12 |r|

BDBM50361643

CC(C)n1cc(C(=O)c2cncc(N[C@@H]3CCN([C@@H]3c3ccc(F)cc3)C(C)=O)n2)c2c(N)ncnc12 |r|

BDBM50361644

CC(C)n1cc(C(=O)c2cncc(N[C@@H]3CCN([C@@H]3c3ccccc3)C(C)=O)n2)c2c(N)ncnc12 |r|

BDBM50361917

Clc1ccc(cc1)-n1cc(nn1)-c1ccncc1

BDBM50361918

Clc1cccc(c1)-n1cc(nn1)-c1ccncc1

BDBM50361919

Cc1ccc(cc1)-n1cc(nn1)-c1ccccn1

BDBM50361920

Cc1ccccc1-n1cc(nn1)-c1ccccn1

BDBM50361921

C(c1ccccc1)n1cc(nn1)-c1ccc2nccnc2c1

BDBM50361913

Cc1ccccc1-n1nncc1-c1ccncc1

BDBM50361914

C1C2CC3CC1CC(C2)C3n1nncc1-c1ccncc1 |TLB:8:7:4:2.1.0,0:1:9:6.5.4,0:5:9:2.8.1,THB:8:1:9.7.6:4,10:9:4:2.1.0,(12.18,-2.43,;12.28,-3.87,;10.83,-4.39,;9.35,-3.96,;9.3,-2.44,;10.75,-1.91,;9.75,-3.09,;9.76,-4.63,;11.22,-5.09,;8.32,-5.23,;7.01,-6.05,;6.96,-7.59,;5.52,-8.02,;4.64,-6.76,;5.58,-5.54,;5.01,-4.09,;5.78,-2.75,;5,-1.43,;3.44,-1.46,;2.7,-2.78,;3.48,-4.11,)|

BDBM50361916

C1C2CC3CC1CC(C2)C3n1nncc1-c1ccc2nccnc2c1 |TLB:0:1:9:6.5.4,0:5:9:2.8.1,8:7:4:2.1.0,THB:10:9:4:2.1.0,8:1:9.7.6:4,(9.62,-8.52,;9.68,-9.96,;8.21,-10.42,;6.75,-9.94,;6.75,-8.42,;8.22,-7.95,;7.18,-9.08,;7.12,-10.63,;8.57,-11.14,;5.66,-11.17,;4.29,-11.88,;4.33,-13.43,;2.91,-13.94,;1.96,-12.72,;2.84,-11.45,;2.41,-9.96,;3.23,-8.65,;2.5,-7.3,;.96,-7.25,;.23,-5.89,;-1.31,-5.85,;-2.12,-7.17,;-1.39,-8.52,;.15,-8.56,;.87,-9.91,)|

BDBM50362507

C[C@H]1COc2c(NCCNc3ccccn3)c(F)c(N)c3c2n1cc(C(N)=O)c3=O |r|

BDBM50362508

C[C@H]1COc2c(NCCNc3ccccn3)c(F)c(N)c3c2n1cc(C#N)c3=O |r|

BDBM50362509

C[C@H]1COc2c(NCCCc3ccccc3)c(F)c(N)c3c2n1cc(C(O)=O)c3=O |r|

BDBM50362510

C[C@H]1COc2c(NCCCc3ccccc3)c(F)c(N)c3c2n1cc(C(N)=O)c3=O |r|

BDBM50362511

C[C@H]1COc2c(NCCCc3ccccc3)c(F)c(N)c3c2n1cc(C#N)c3=O |r|

BDBM50362512

C[C@H]1COc2c(NCCCn3cccn3)c(F)c(N)c3c2n1cc(C(O)=O)c3=O |r|

BDBM50362513

C[C@H]1COc2c(NCCCn3cccn3)c(F)c(N)c3c2n1cc(C#N)c3=O |r|

BDBM50362514

C[C@H]1COc2c(NCCCn3ccnc3)c(F)c(N)c3c2n1cc(C(O)=O)c3=O |r|

BDBM50362515

C[C@H]1COc2c(NCCCn3ccnc3)c(F)c(N)c3c2n1cc(C(N)=O)c3=O |r|

BDBM50362516

C[C@H]1COc2c(NCCCn3ccnc3)c(F)c(N)c3c2n1cc(C(=N)NO)c3=O |r|

BDBM50362517

C[C@H]1COc2c(NCCCn3ccnc3)c(F)c(N)c3c2n1cc(-c1nnn[nH]1)c3=O |r|

BDBM50362518

C[C@H]1COc2c(NCCCn3ccnc3)c(F)c(N)c3c2n1cc(C#N)c3=O |r|

BDBM50362519

C[C@H]1COc2c(NCCCc3ccccn3)c(F)c(N)c3c2n1cc(C(O)=O)c3=O |r|

BDBM50362520

C[C@H]1COc2c(NCCCc3ccccn3)c(F)c(N)c3c2n1cc(C(=N)NO)c3=O |r|

BDBM50362521

C[C@H]1COc2c(NCCCc3ccccn3)c(F)c(N)c3c2n1cc(-c1nnn[nH]1)c3=O |r|

BDBM50362522

C[C@H]1COc2c(NCCCc3ccccn3)c(F)c(N)c3c2n1cc(C#N)c3=O |r|

BDBM50362878

Nc1c(F)c(NCCNc2ccccn2)c2OCCC3(CCCC3)n3cc(C(O)=O)c(=O)c1c23

BDBM50362882

CC1CC2(CCC2)n2cc(C(O)=O)c(=O)c3c(N)c(F)c(NCCNc4ccccn4)c(O1)c23

BDBM50362881

CC1COc2c(NCCNc3ccccn3)c(F)c(N)c3c2n(cc(C(O)=O)c3=O)C11CCC1

BDBM50362879

Nc1c(F)c(NCCNc2ccccn2)c2OCCC3(CCC3)n3cc(C(O)=O)c(=O)c1c23

BDBM50362880

Nc1c(F)c(NCCNc2ccccn2)c2OCCC3(CC3)n3cc(C(O)=O)c(=O)c1c23

BDBM50362883

Nc1c(F)c(NCCNc2ccccn2)c2NCCC3(CCC3)n3cc(C(O)=O)c(=O)c1c23

BDBM50363167

Cn1c2c(C(C#N)C3(CCNCC3)NC2=O)c2ccc(Cl)c(Cl)c12

BDBM50364832

COc1ccc(cc1\C=C\c1ccc(Cl)cc1)C(=O)NC[C@@H](O)CO |r|

BDBM50364833

COc1ccc(cc1\C=C\c1ccc(Cl)cc1)C(=O)NC[C@H](O)CO |r|

BDBM50026843

CNC(=O)C1CCC(CNC(=O)c2ncoc2-c2ccc(OC)cc2)CC1 |(-8.29,3.86,;-6.97,3.07,;-5.63,3.82,;-5.6,5.36,;-4.3,3.03,;-2.96,3.78,;-1.64,3,;-1.66,1.45,;-.33,.66,;1.01,1.42,;2.33,.63,;2.32,-.91,;3.68,1.38,;4.15,2.85,;5.69,2.85,;6.17,1.39,;4.92,.48,;4.93,-1.06,;3.6,-1.83,;3.6,-3.37,;4.93,-4.14,;4.93,-5.68,;3.6,-6.45,;6.27,-3.37,;6.26,-1.82,;-3,.7,;-4.33,1.49,)|

BDBM50026848

CNC(=O)c1ccc(CN(C)C(=O)c2ncoc2-c2ccc(OC)cc2)cc1

BDBM50026846

CNC(=O)c1ccc(CNC(=O)c2ncoc2-c2ccc(OC)cc2)cc1

BDBM50026845

COc1ccc(cc1)-c1ocnc1C(=O)NCC1CCC(CC1)C(=O)N(C)C |(25.74,-6.11,;27.07,-5.34,;27.07,-3.8,;25.74,-3.03,;25.74,-1.49,;27.07,-.71,;28.41,-1.48,;28.41,-3.03,;27.07,.82,;28.31,1.73,;27.83,3.2,;26.29,3.19,;25.82,1.73,;24.48,.97,;24.46,-.57,;23.15,1.76,;21.81,1,;20.48,1.79,;20.5,3.34,;19.19,4.12,;17.84,3.38,;17.82,1.83,;19.14,1.04,;16.52,4.17,;16.54,5.71,;15.17,3.42,;13.85,4.21,;15.15,1.88,)|

BDBM50365426

COc1ccc(cc1)-c1ocnc1C(=O)NCc1ccncc1

BDBM50026830

COc1ccc(cc1Cl)-c1ocnc1C(=O)NCc1ccnc(Cl)c1

BDBM50026837

COc1ccc(cc1Cl)-c1ocnc1C(=O)NCc1ccnnc1

BDBM50026836

COc1ccc(cc1Cl)-c1ocnc1C(=O)NCc1ccnc(c1)C(F)(F)F

BDBM50026834

COc1cc(CNC(=O)c2ncoc2-c2ccc(OC)c(Cl)c2)ccn1

BDBM50026832

COc1ccc(cc1Cl)-c1ocnc1C(=O)NCc1ccnc(C)c1

BDBM50026862

COc1ccc(cc1Cl)-c1ocnc1C(=O)NCCc1ccncc1

BDBM50026840

COc1ccc(cc1Cl)-c1ocnc1C(=O)NCc1ccnc(C)n1

BDBM50026835

COc1ccc(cc1)-c1ocnc1C(=O)NCc1cccnc1

BDBM50026833

COc1ccc(cc1)-c1ocnc1C(=O)NCc1ccccn1

BDBM50026831

COc1ccc(cc1)-c1ocnc1C(=O)NCc1ccccc1

BDBM50026867

COc1ccc(cc1Cl)-c1ocnc1C(=O)NCc1ccncc1

BDBM50026865

COc1cccc(c1)-c1ocnc1C(=O)NCc1ccncc1

BDBM50026864

O=C(NCc1ccncc1)c1ncoc1-c1ccc(cc1)C#N

BDBM50026839

FC(F)(F)c1ccc(cc1)-c1ocnc1C(=O)NCc1ccncc1

BDBM50026838

Oc1cccc(c1)-c1ocnc1C(=O)NCc1ccncc1

BDBM50026866

NC(=O)c1cccc(c1)-c1ocnc1C(=O)NCc1ccncc1

BDBM50026851

COc1ccc(-c2ocnc2C(=O)NCc2ccncc2)c(F)c1

BDBM50026850

COc1ccc(cc1F)-c1ocnc1C(=O)NCc1ccncc1

BDBM50026860

Clc1cc(ccc1Oc1ccccc1)-c1ocnc1C(=O)NCc1ccncc1

BDBM50026857

COc1ccc(cc1N1CCOCC1)-c1ocnc1C(=O)NCc1ccncc1

BDBM50026856

COc1ccc(cc1-c1ccncc1)-c1ocnc1C(=O)NCc1ccncc1

BDBM50026854

COc1ccc(-c2ocnc2C(=O)NCc2ccncc2)c(C)c1

BDBM50026849

COc1ccc(cc1Cl)-c1ocnc1C(=O)NCc1ccn2ccnc2c1

BDBM50026844

COc1cnc(cc1Cl)-c1ocnc1C(=O)NCc1ccncc1

BDBM50026842

COc1ccc(nc1Cl)-c1ocnc1C(=O)NCc1ccncc1

BDBM50026841

COc1ncc(cc1Cl)-c1ocnc1C(=O)NCc1ccncc1

BDBM50026861

COc1ccc(cn1)-c1ocnc1C(=O)NCc1ccncc1

BDBM50365596

Oc1ccc(C(=O)NCCc2ccc(cc2)[N+]([O-])=O)c2[nH]c(Cc3ccccc3)nc12

BDBM50365597

Cc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC(=O)c2ccc(O)c3nc(Cc4ccccc4)[nH]c23)cc1

BDBM50365598

CS(=O)(=O)Nc1ccc(CCNC(=O)c2ccc(O)c3nc(Cc4ccccc4)[nH]c23)cc1

BDBM50365599

CS(=O)(=O)Nc1ccc(CCNC(=O)c2ccc(O)c3nc([nH]c23)C2CC2)cc1

BDBM50365600

CS(=O)(=O)Nc1ccc(CCNC(=O)c2ccc(O)c3nc([nH]c23)C2CCCC2)cc1

BDBM50365601

CS(=O)(=O)Nc1ccc(CCNC(=O)c2ccc(O)c3nc([nH]c23)-c2ccc(Cl)cc2)cc1

BDBM50365602

CS(=O)(=O)Nc1ccc(CCNC(=O)c2ccc(O)c3nc([nH]c23)-c2ccc(F)cc2)cc1

BDBM50365603

CS(=O)(=O)Nc1ccc(CCNC(=O)c2ccc(O)c3nc([nH]c23)-c2ccc(F)cc2Cl)cc1

BDBM50365604

CS(=O)(=O)Nc1ccc(CCNC(=O)c2ccc(O)c3nc([nH]c23)-c2ccncc2)cc1

BDBM50365605

Cc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC(=O)c2ccc(O)c3nc([nH]c23)-c2ccc(F)cc2)cc1

BDBM50365606

OC(=O)COc1cccc(CCCNC(=O)c2ccc(O)c3nc([nH]c23)-c2ccc(Cl)cc2)c1

BDBM50365607

Oc1ccc(C(=O)NCCCn2ccnc2)c2[nH]c(nc12)-c1ccc(Cl)cc1Cl

BDBM50365608

Oc1ccc(C(=O)NCCCn2cnc(Cl)c2Cl)c2[nH]c(nc12)-c1ccc(Cl)cc1Cl

BDBM50365609

Oc1ccc(C(=O)NCCCn2ccnc2)c2[nH]c(nc12)-c1ccc(F)c(Cl)c1

BDBM50365610

Cc1cn(CCCNC(=O)c2ccc(O)c3nc([nH]c23)-c2cccs2)cn1

BDBM50365611

CS(=O)(=O)Nc1ccc(CCNC(=O)c2ccc(O)c3nc([nH]c23)-c2ccc(F)cc2F)cc1

BDBM50365612

Oc1ccc(C(=O)NCCCn2cnc(Cl)c2Cl)c2[nH]c(nc12)-c1ccco1

BDBM50365613

CCN1CCN(CC1)C(=O)c1ccc(CCNC(=O)c2ccc(O)c3nc([nH]c23)-c2cccs2)cc1

BDBM50365614

Oc1ccc(C(=O)NCCCn2cnc(Cl)c2Cl)c2[nH]c(nc12)-c1cccs1

BDBM50365615

Cc1nc2c(O)ccc(C(=O)NCCc3ccc(NS(C)(=O)=O)cc3)c2[nH]1

BDBM50130721

CCN(CC)Cc1c(nnn1-c1nonc1N)C(=O)NN

BDBM50130722

CN(C)Cc1c(nnn1-c1nonc1N)-c1nnc([nH]1)-c1ccncc1

BDBM50130723

CN(CCc1ccncc1)C(=O)c1nnn(c1CN1CCCCC1)-c1nonc1N

BDBM50130726

Nc1nonc1-n1nnc(C(=O)NCCc2ccncc2)c1CN1CCCC1

BDBM50130727

Nc1nonc1-n1nnc(C(=O)N\N=C\c2ccncc2)c1CN1CCCC1

BDBM50130720

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

BDBM50130728

CCN(CC)Cc1c(nnn1-c1nonc1N)C(=O)NCCc1ccncc1

BDBM50130729

CC(C)CNCc1c(nnn1-c1nonc1N)C(=O)NCc1ccncc1

BDBM50130731

NNC(=O)c1nnn(c1CN1CCCCC1)-c1nonc1N

BDBM50130732

Nc1nonc1-n1nnc(-c2nnc([nH]2)-c2ccncc2)c1CN1CCCC1

BDBM50130733

Nc1nonc1-n1nnc(C(=O)NCc2ccncc2)c1CN1CCCCC1

BDBM50133060

O=C1NC(=O)C2=C1c1cn(CCOCCOCCOCCOCCOCCn3cc2c2cccnc32)c2ncccc12 |c:5|

BDBM50133061

O=C1NC(=O)C2=C1c1cn(CCOCCOCCOCCOCCn3cc2c2ccccc32)c2ccccc12 |c:5|

BDBM50133063

O=C1NC(=O)C2=C1c1cn(CCOCCOCCn3cc2c2ccccc32)c2ccccc12 |c:5|

BDBM50133066

O=C1NC(=O)C2=C1c1cn(CCOCCOCCn3cc2c2cccnc32)c2ncccc12 |c:5|

BDBM50133065

O=C1NC(=O)C2=C1c1cn(CCOCCOCCOCCOCCOCCn3cc2c2ccccc32)c2ccccc12 |c:5|

BDBM50133067

O=C1NC(=O)C2=C1c1cn(CCOCCOCCn3cc2c2cccnc32)c2ccccc12 |c:5|

BDBM50133064

O=C1NC(=O)C2=C1c1cn(CCOCCOCCOCCn3cc2c2cccnc32)c2ncccc12 |c:5|

BDBM50133058

O=C1NC(=O)C2=C1c1cn(CCOCCOCCOCCOCCn3cc2c2cccnc32)c2ncccc12 |c:5|

BDBM50150700

CC(C)OC(=O)N1CCn2cc(C3=C(C(=O)NC3=O)c3cnc4ccccn34)c3cccc(C1)c23 |t:12|

BDBM50150697

Cc1cc2CN(CCn3cc(C4=C(C(=O)NC4=O)c4cnc5ccccn45)c(c1)c23)C(=O)N1CCCCC1 |t:11|

BDBM50192071

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

BDBM50207804

O=C1NC(=O)C2=C1c1cn(CCCc3cc(CCCn4cc2c2ccccc42)nc(c3)N2CCCC2)c2ccccc12 |c:5|

BDBM50207807

O=C1NC(=O)C2=C1c1cn(CCCc3ccc(CCCn4cc2c2ccccc42)c(n3)N2CCCC2)c2ccccc12 |c:5|

BDBM50207805

CN(C)c1cc2CCCn3cc(C4=C(C(=O)NC4=O)c4cn(CCCc(c2)n1)c1ccccc41)c1ccccc31 |t:12|

BDBM50207806

CN(C)c1nc2CCCn3cc(C4=C(C(=O)NC4=O)c4cn(CCCc1cc2)c1ccccc41)c1ccccc31 |t:12|

BDBM50371215

CN(C)c1nc2CCn3cc(C4=C(C(=O)NC4=O)c4cn(CCCc1cc2)c1ccccc41)c1ccccc31 |t:11|

BDBM50207808

O=C1NC(=O)C2=C1c1cn(CCCCc3ccc(CCCCn4cc2c2ccccc42)c(n3)N2CCCC2)c2ccccc12 |c:5|

BDBM50224883

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

BDBM50219729

O[C@@]12CC\C=C/CCCCN3CCC(C(=C1)c1nccc4c5cccc(OS(=O)(=O)c6ccc(Br)cc6)c5[nH]c14)[C@]1(C[C@@H]4CCC(=O)CCCN4[C@@H]21)C3 |w:13.12,c:4,14|

BDBM50219730

C1[C@@H]2\C=C/CCCCN2[C@H]2\C3=C/C\C=C/CCCCN4CCC(C(=C3)c3nccc5c6ccccc6[nH]c35)[C@@]12C4 |w:22.22,c:2,11,14,24|

BDBM50219731

CC(=O)Nc1nc(C)c(s1)S(=O)(=O)Oc1cccc2c3ccnc(C4=C[C@@]5(O)CC\C=C/CCCCN6CCC4[C@]4(C[C@@H]7CCC(=O)CCCN7[C@@H]54)C6)c3[nH]c12 |w:39.39,c:31,t:25|

BDBM50219732

O[C@@]12CC\C=C/CCCCN3CCC(C(=C1)c1nccc4c5ccccc5[nH]c14)[C@]1(C[C@@H]4CCC(=O)CCCN4[C@@H]21)C3 |w:13.12,c:4,14|

BDBM50219733

CCOc1cccc2c3ccnc(C4=C[C@@]5(O)CC\C=C/CCCCN6CCC4[C@]4(C[C@@H]7\C=C/CCCCN7[C@@H]54)C6)c3n(CC)c12 |w:28.27,c:19,33,t:13|

BDBM50219734

Oc1ccc2[nH]c3c(nccc3c2c1)C1=C[C@@]2(O)CC\C=C/CCCCN3CCC1[C@]1(C[C@@H]4\C=C/CCCCN4[C@@H]21)C3 |w:29.31,c:23,37,t:17|

BDBM50219735

CC(=O)Oc1cccc2c3ccnc(C4=C\C5=C\C\C=C/CCCCN6CCC4[C@]4(C[C@@H]7\C=C/CCCCN7[C@@H]54)C6)c3[nH]c12 |w:28.27,c:19,33,t:14,16|

BDBM50219736

O[C@@]12CC\C=C/CCCCN3CCC(C(=C1)c1nccc4c5cccc(OS(=O)(=O)c6ccc(Cl)cc6)c5[nH]c14)[C@]1(C[C@@H]4CCC(=O)CCCN4[C@@H]21)C3 |w:13.12,c:4,14|

BDBM50371948

COc1ccc(-c2ccc(C=C3SC(S)=NC3=O)o2)c(c1)[N+]([O-])=O |w:10.9,c:14|

BDBM50371949

Oc1ccc(C=C2SC(S)=NC2=O)cc1[N+]([O-])=O |w:5.4,c:9|

BDBM50371950

Cc1ccc(cc1)S(=O)(=O)n1cc(C=C2SC(=S)NC2=O)c2ccccc12 |w:13.13|

BDBM50371951

COc1cc(C=C2SC(=S)NC2=O)cc(Br)c1OCc1ccccc1C |w:5.4|

BDBM50371952

Cc1ccc(NC2=NC(=O)SC2=Cc2ccccc2Cl)cc1 |w:12.13,t:6|

BDBM8218

O=C1NC(=O)C(=C1Nc1ccccc1)c1ccccc1 |c:5|

BDBM8392

Brc1cc2c(NC(=O)C3CC3)n[nH]c2nc1-c1ccco1

BDBM50371953

CN1CCN(Cc2ccc3nc([nH]c3c2)-c2cc(n[nH]c2=O)-c2cc(C)c(O)c(C)c2)CC1

BDBM50371954

CCCC1=Nc2[nH]ncc2C(C1c1nnc(C)o1)c1cccc(C#N)c1Br |t:3|

BDBM50371956

CN1CCC(CC1)C1=C(C#N)[C@@H](c2c[nH]nc2N1)c1cccc2nonc12 |r,c:8|

BDBM50371957

[O-][N+](=O)c1ccccc1S(=O)(=O)Oc1ccccc1C=C1SC(S)=NC1=O |w:19.20,c:25|

BDBM50371958

OC1=NC(=O)C(S1)=Cc1ccc(o1)-c1cc(ccc1Cl)[N+]([O-])=O |w:7.8,t:1|

BDBM50373013

Nc1ncnc2oc(c(-c3ccc(NS(=O)(=O)c4ccccc4)cc3)c12)-c1cccnc1

BDBM50373014

CS(=O)(=O)Nc1ccc(cc1)-c1c(oc2ncnc(N)c12)-c1cccnc1

BDBM50373015

Nc1ncnc2oc(c(-c3ccc(NC(=O)c4cccc(F)c4)cc3)c12)-c1cccnc1

BDBM5802

COc1ccc(cc1)-c1oc2ncnc(N)c2c1-c1ccc(OC)cc1

BDBM50373016

COc1ccc(cc1)-c1oc2ncnc(N)c2c1-c1ccc(NS(=O)(=O)c2ccccc2)cc1

BDBM50373017

CC(=O)Nc1ccc(cc1)-c1c(oc2ncnc(N)c12)-c1cccnc1

BDBM50373018

Nc1ncnc2oc(c(-c3ccc(NS(=O)(=O)c4cccs4)cc3)c12)-c1cccnc1

BDBM8389

Brc1cc2c(NC(=O)C3CC3)n[nH]c2nc1-c1cccs1

BDBM8357

CCN1CCN(CCCC(=O)Nc2n[nH]c3nc(c(Br)cc23)-c2ccc(O)cc2)CC1

BDBM8348

Oc1ccc(cc1)-c1nc2[nH]nc(NC(=O)C3CC3)c2cc1-c1ccccc1

BDBM8365

Oc1ccc(cc1Cl)-c1ccc2c(NC(=O)C3CC3)n[nH]c2n1

BDBM8305

Nc1c[nH]c2ncc(cc12)-c1ccccc1

BDBM8303

Cn1nc(N)c2cc(cnc12)-c1ccccc1

BDBM8312

CS(=O)(=O)Nc1n[nH]c2ncc(cc12)-c1ccccc1

BDBM8302

Nc1n[nH]c2cnc(cc12)-c1ccccc1

BDBM8300

Nc1n[nH]c2ncc(cc12)-c1ccccc1

BDBM7476

Nc1n[nH]c2nnc(cc12)-c1ccccc1

BDBM8379

Fc1ccc(F)c(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1

BDBM8388

O=C(Nc1n[nH]c2cc(ccc12)-c1ccsc1)C1CC1

BDBM8387

O=C(Nc1n[nH]c2cc(ccc12)-c1cccs1)C1CC1

BDBM8384

O=C(Nc1n[nH]c2cc(ccc12)-c1ccc[nH]1)C1CC1

BDBM8382

Fc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1

BDBM8371

O=C(Nc1n[nH]c2cc(ccc12)-c1ccc2[nH]ccc2c1)C1CC1

BDBM8369

O=C(Nc1n[nH]c2cc(ccc12)-c1ccccc1)C1CC1

BDBM8360

CCN1CCN(CCCC(=O)Nc2n[nH]c3nc(ccc23)-c2cccc(O)c2)CC1

BDBM8359

CN1CCC(CC1)C(=O)Nc1n[nH]c2nc(c(Br)cc12)-c1ccc(O)cc1

BDBM8358

CN1CCC(CC1)C(=O)Nc1n[nH]c2nc(ccc12)-c1ccc(O)cc1

BDBM8355

O=C(Nc1n[nH]c2nc(-c3ccccc3)c(cc12)C#N)C1CC1

BDBM8354

Clc1cc2c(NC(=O)C3CC3)n[nH]c2nc1-c1ccccc1

BDBM8352

O=C(Nc1n[nH]c2nc(-c3ccccc3)c(cc12)-c1ccccc1)C1CC1

BDBM8350

Oc1ccc(cc1)-c1nc2[nH]nc(NC(=O)C3CC3)c2cc1Cl

BDBM8347

COc1ccccc1-c1ccc2c(NC(=O)C3CC3)n[nH]c2n1

BDBM8345

COc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2n1

BDBM8343

Oc1ccc(cc1O)-c1ccc2c(NC(=O)C3CC3)n[nH]c2n1

BDBM8340

O=C(Nc1n[nH]c2nc(ccc12)-c1ccccc1)C1CC1

BDBM8322

CCCC(=O)Nc1n[nH]c2ncc(cc12)-c1ccc2ccccc2c1

BDBM8321

CCCC(=O)Nc1n[nH]c2ncc(cc12)-c1ccc(cc1)-c1ccccc1

BDBM8319

CCCC(=O)Nc1n[nH]c2ncc(cc12)-c1cccnc1

BDBM8318

CCCC(=O)Nc1n[nH]c2ncc(cc12)-c1ccccc1Cl

BDBM8317

CCCC(=O)Nc1n[nH]c2ncc(cc12)-c1cccc(F)c1F

BDBM8315

CCCC(=O)Nc1n[nH]c2ncc(cc12)-c1ccccc1F

BDBM8314

CCCC(=O)Nc1n[nH]c2ncccc12

BDBM8313

CCCC(=O)Nc1n[nH]c2ncc(cc12)B1OC(C)(C)C(C)(C)O1

BDBM8310

O=C(Nc1n[nH]c2ncc(cc12)-c1ccccc1)C1CCCC1

BDBM8309

CC(C)C(=O)Nc1n[nH]c2ncc(cc12)-c1ccccc1

BDBM8307

CCC(=O)Nc1n[nH]c2ncc(cc12)-c1ccccc1

BDBM8306

CC(=O)Nc1n[nH]c2ncc(cc12)-c1ccccc1

BDBM8396

Brc1cc2c(NC(=O)C3CCN(Cc4ccccc4)C3)n[nH]c2nc1-c1ccco1

BDBM8394

Brc1cc2c(NC(=O)C3CCCC3)n[nH]c2nc1-c1nccs1

BDBM8393

Brc1cc2c(NC(=O)C3CC3)n[nH]c2nc1-c1nccs1

BDBM8390

Brc1cc2c(NC(=O)C3CCCC3)n[nH]c2nc1-c1cccs1

BDBM8341

Oc1ccc(cc1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2n1

BDBM8349

Oc1ccc(cc1)-c1nc2[nH]nc(NC(=O)C3CC3)c2cc1Br

BDBM8334

CCN1CCN(CCCCC(=O)Nc2n[nH]c3nnc(cc23)-c2ccccc2)CC1

BDBM8333

CN1CCC(CC1)C(=O)Nc1n[nH]c2nnc(cc12)-c1ccccc1

BDBM8332

O=C(CCCN1CCOCC1)Nc1n[nH]c2nnc(cc12)-c1ccccc1

BDBM8328

O=C(CCCN1CCCC1)Nc1n[nH]c2nnc(cc12)-c1ccccc1

BDBM8327

CN(C)CCCC(=O)Nc1n[nH]c2nnc(cc12)-c1ccccc1

BDBM8292

COc1ccc(cc1)C1=C(N2CCc3ccccc23)C(=O)NC1=O |c:9|

BDBM8291

Clc1ccc(cc1)C1=C(N2CCc3ccccc23)C(=O)NC1=O |c:8|

BDBM50373073

[O-][N+](=O)c1cccc(c1)C1=C(N2CCc3ccccc23)C(=O)NC1=O |c:10|

BDBM8289

Clc1cccc(c1)C1=C(N2CCc3ccccc23)C(=O)NC1=O |c:8|

BDBM8326

CCCC(=O)Nc1n[nH]c2nnc(-c3ccccc3)c(-c3ccccc3)c12

BDBM8325

CCCC(=O)Nc1[nH]nc2cnc(nc12)-c1ccccc1

BDBM8329

CCCC(=O)Nc1n[nH]c2cnc(cc12)-c1ccccc1

BDBM8324

CCCC(=O)Nc1n[nH]c2ccc(cc12)-c1ccccc1

BDBM50373074

[O-][N+](=O)c1ccccc1C1=C(N2CCc3ccccc23)C(=O)NC1=O |c:10|

BDBM8287

COc1ccccc1C1=C(N2CCc3ccccc23)C(=O)NC1=O |c:9|

BDBM8286

Clc1ccccc1C1=C(N2CCc3ccccc23)C(=O)NC1=O |c:8|

BDBM8285

CN(C1=C(C(=O)NC1=O)c1ccc(Cl)cc1)c1ccccc1 |t:2|

BDBM50373075

CN(C1=C(C(=O)NC1=O)c1cccc(c1)[N+]([O-])=O)c1ccccc1 |t:2|

BDBM8282

CN(C1=C(C(=O)NC1=O)c1ccccc1)c1ccccc1 |t:2|

BDBM50373076

CSc1ccc(NC2=C(C(=O)NC2=O)c2ccc(cc2)[N+]([O-])=O)cc1 |t:7|

BDBM50373077

Oc1c(Cl)cc(NC2=C(C(=O)NC2=O)c2ccc(cc2)[N+]([O-])=O)cc1Cl |t:7|

BDBM8280

COc1ccc(cc1)C1=C(Nc2ccc(SC)cc2)C(=O)NC1=O |c:9|

BDBM8265

COc1ccc(cc1)C1=C(Nc2cccc(c2)C(O)=O)C(=O)NC1=O |c:9|

BDBM8257

COc1ccc(cc1)C1=C(Nc2cc(Cl)c(O)c(Cl)c2)C(=O)NC1=O |c:9|

BDBM8240

COc1ccc(cc1)C1=C(Nc2cccc(O)c2)C(=O)NC1=O |c:9|

BDBM8231

COc1ccc(cc1)C1=C(Nc2cccc(Cl)c2)C(=O)NC1=O |c:9|

BDBM8223

COc1ccc(cc1)C1=C(Nc2ccccc2)C(=O)NC1=O |c:9|

BDBM8279

CSc1ccc(NC2=C(C(=O)NC2=O)c2ccc(Cl)cc2)cc1 |t:7|

BDBM8272

OC(=O)c1cc(NC2=C(C(=O)NC2=O)c2ccc(Cl)cc2)ccc1Cl |t:7|

BDBM8264

OC(=O)c1cccc(NC2=C(C(=O)NC2=O)c2ccc(Cl)cc2)c1 |t:9|

BDBM8256

Oc1c(Cl)cc(NC2=C(C(=O)NC2=O)c2ccc(Cl)cc2)cc1Cl |t:7|

BDBM8248

Oc1ccc(NC2=C(C(=O)NC2=O)c2ccc(Cl)cc2)cc1Cl |t:6|

BDBM8242

Oc1ccc(NC2=C(C(=O)NC2=O)c2ccc(Cl)cc2)cc1 |t:6|

BDBM8239

Oc1cccc(NC2=C(C(=O)NC2=O)c2ccc(Cl)cc2)c1 |t:7|

BDBM8230

Clc1ccc(cc1)C1=C(Nc2cccc(Cl)c2)C(=O)NC1=O |c:8|

BDBM8222

Clc1ccc(cc1)C1=C(Nc2ccccc2)C(=O)NC1=O |c:8|

BDBM50373078

CSc1ccc(NC2=C(C(=O)NC2=O)c2cccc(c2)[N+]([O-])=O)cc1 |t:7|

BDBM50373079

OC(=O)c1cc(NC2=C(C(=O)NC2=O)c2cccc(c2)[N+]([O-])=O)ccc1Cl |t:7|

BDBM50373080

OC(=O)c1cccc(NC2=C(C(=O)NC2=O)c2cccc(c2)[N+]([O-])=O)c1 |t:9|

BDBM8255

Oc1c(Cl)cc(NC2=C(C(=O)NC2=O)c2cccc(c2)N(=O)=O)cc1Cl |t:7|

BDBM50373081

Oc1ccc(NC2=C(C(=O)NC2=O)c2cccc(c2)[N+]([O-])=O)cc1Cl |t:6|

BDBM50373082

Oc1ccc(NC2=C(C(=O)NC2=O)c2cccc(c2)[N+]([O-])=O)cc1 |t:6|

BDBM50373083

Oc1cccc(NC2=C(C(=O)NC2=O)c2cccc(c2)[N+]([O-])=O)c1 |t:7|

BDBM50373084

[O-][N+](=O)c1cccc(c1)C1=C(Nc2cccc(Cl)c2)C(=O)NC1=O |c:10|

BDBM50373085

[O-][N+](=O)c1cccc(c1)C1=C(Nc2ccccc2)C(=O)NC1=O |c:10|

BDBM8277

COc1cccc(c1)C1=C(Nc2ccc(SC)cc2)C(=O)NC1=O |c:9|

BDBM8270

COc1cccc(c1)C1=C(Nc2ccc(Cl)c(c2)C(O)=O)C(=O)NC1=O |c:9|

BDBM8262

COc1cccc(c1)C1=C(Nc2cccc(c2)C(O)=O)C(=O)NC1=O |c:9|

BDBM8254

COc1cccc(c1)C1=C(Nc2cc(Cl)c(O)c(Cl)c2)C(=O)NC1=O |c:9|

BDBM8237

COc1cccc(c1)C1=C(Nc2cccc(O)c2)C(=O)NC1=O |c:9|

BDBM8228

COc1cccc(c1)C1=C(Nc2cccc(Cl)c2)C(=O)NC1=O |c:9|

BDBM8276

CSc1ccc(NC2=C(C(=O)NC2=O)c2cccc(Cl)c2)cc1 |t:7|

BDBM8261

OC(=O)c1cccc(NC2=C(C(=O)NC2=O)c2cccc(Cl)c2)c1 |t:9|

BDBM8236

Oc1cccc(NC2=C(C(=O)NC2=O)c2cccc(Cl)c2)c1 |t:7|

BDBM50373086

OC(=O)c1cc(NC2=C(C(=O)NC2=O)c2ccccc2[N+]([O-])=O)ccc1Cl |t:7|

BDBM50373087

Oc1cccc(NC2=C(C(=O)NC2=O)c2ccccc2[N+]([O-])=O)c1 |t:7|

BDBM8275

COc1ccccc1C1=C(Nc2ccc(SC)cc2)C(=O)NC1=O |c:9|

BDBM8251

COc1ccccc1C1=C(Nc2cc(Cl)c(O)c(Cl)c2)C(=O)NC1=O |c:9|

BDBM8244

COc1ccccc1C1=C(Nc2ccc(O)c(Cl)c2)C(=O)NC1=O |c:9|

BDBM8220

COc1ccccc1C1=C(Nc2ccccc2)C(=O)NC1=O |c:9|

BDBM8274

CSc1ccc(NC2=C(C(=O)NC2=O)c2ccccc2Cl)cc1 |t:7|

BDBM8260

OC(=O)c1cccc(NC2=C(C(=O)NC2=O)c2ccccc2Cl)c1 |t:9|

BDBM8250

Oc1c(Cl)cc(NC2=C(C(=O)NC2=O)c2ccccc2Cl)cc1Cl |t:7|

BDBM8233

Oc1cccc(NC2=C(C(=O)NC2=O)c2ccccc2Cl)c1 |t:7|

BDBM8225

Clc1cccc(NC2=C(C(=O)NC2=O)c2ccccc2Cl)c1 |t:7|

BDBM8219

Clc1ccccc1C1=C(Nc2ccccc2)C(=O)NC1=O |c:8|

BDBM8266

OC(=O)c1cc(NC2=C(C(=O)NC2=O)c2ccccc2)ccc1Cl |t:7|

BDBM8259

OC(=O)c1cccc(NC2=C(C(=O)NC2=O)c2ccccc2)c1 |t:9|

BDBM8249

Oc1c(Cl)cc(NC2=C(C(=O)NC2=O)c2ccccc2)cc1Cl |t:7|

BDBM8224

Clc1cccc(NC2=C(C(=O)NC2=O)c2ccccc2)c1 |t:7|

BDBM8364

Oc1ccc(cc1Br)-c1ccc2c(NC(=O)C3CC3)n[nH]c2n1

BDBM8353

Brc1cc2c(NC(=O)C3CC3)n[nH]c2nc1-c1ccccc1

BDBM8331

CCN1CCN(CCCC(=O)Nc2n[nH]c3nnc(cc23)-c2ccccc2)CC1

BDBM8253

Oc1c(Cl)cc(NC2=C(C(=O)NC2=O)c2cccc(Cl)c2)cc1Cl |t:7|

BDBM50373088

Oc1c(Cl)cc(NC2=C(C(=O)NC2=O)c2ccccc2[N+]([O-])=O)cc1Cl |t:7|

BDBM50373089

[O-][N+](=O)c1ccccc1C1=C(Nc2cccc(Cl)c2)C(=O)NC1=O |c:10|

BDBM8234

COc1ccccc1C1=C(Nc2cccc(O)c2)C(=O)NC1=O |c:9|

BDBM8267

OC(=O)c1cc(NC2=C(C(=O)NC2=O)c2ccccc2Cl)ccc1Cl |t:7|

BDBM8243

Oc1ccc(NC2=C(C(=O)NC2=O)c2ccccc2Cl)cc1Cl |t:6|

BDBM8273

CSc1ccc(NC2=C(C(=O)NC2=O)c2ccccc2)cc1 |t:7|

BDBM8232

Oc1cccc(NC2=C(C(=O)NC2=O)c2ccccc2)c1 |t:7|

BDBM8304

Nc1noc2ncc(cc12)-c1ccccc1

BDBM8301

Nc1n[nH]c2nccc(-c3ccccc3)c12

BDBM7463

Nc1n[nH]c2nnc(-c3ccccc3)c(-c3ccccc3)c12

BDBM8386

O=C(Nc1n[nH]c2cc(ccc12)-c1ccoc1)C1CC1

BDBM8374

NS(=O)(=O)c1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1

BDBM8342

COc1ccc(cc1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2n1

BDBM8356

CN1CCC(CC1)C(=O)Nc1n[nH]c2nc(c(Br)cc12)-c1ccccc1

BDBM8351

Cc1cc2c(NC(=O)C3CC3)n[nH]c2nc1-c1ccc(O)cc1

BDBM8346

Oc1ccccc1-c1ccc2c(NC(=O)C3CC3)n[nH]c2n1

BDBM8323

CCCC(=O)Nc1n[nH]c2ncc(cc12)-c1cccc2ccccc12

BDBM8320

CCCC(=O)Nc1n[nH]c2ncc(cc12)-c1ccncc1

BDBM8316

CCCC(=O)Nc1n[nH]c2ncc(cc12)-c1cccc(F)c1

BDBM8311

CCNC(=O)Nc1n[nH]c2ncc(cc12)-c1ccccc1

BDBM8308

CCCC(=O)Nc1n[nH]c2ncc(cc12)-c1ccccc1

BDBM50373090

CN1CCC(CC(=O)Nc2n[nH]c3nc(-c4cccs4)c(Br)cc23)CC1

BDBM8391

O=C(Nc1n[nH]c2nc(ccc12)-c1ccco1)C1CC1

BDBM50374681

CC(C)(C)CN1CCC(CC1)NC(=O)c1csc(NC(=O)c2ccc3cc4C(=O)NCC5(CCC5)n4c3c2)n1

BDBM50132003

Oc1[nH]c2ccccc2c1-c1[nH]c2ccccc2c1N=O |(1.71,2.82,;2.18,1.35,;3.65,.86,;3.62,-.68,;4.77,-1.7,;4.44,-3.2,;2.97,-3.66,;1.85,-2.62,;2.18,-1.13,;1.27,.12,;-.27,.12,;-1.18,-1.12,;-2.65,-.64,;-3.96,-1.41,;-5.29,-.64,;-5.29,.9,;-3.96,1.68,;-2.63,.9,;-1.16,1.38,;-.69,2.84,;-1.7,3.98,)|

BDBM50005298

Oc1[nH]c2ccc(I)cc2c1-c1[nH]c2ccccc2c1N=O |(3.16,-9.8,;3.62,-8.34,;5.09,-7.85,;5.07,-6.31,;6.21,-5.28,;5.89,-3.79,;4.42,-3.31,;4.09,-1.8,;3.27,-4.35,;3.6,-5.84,;2.71,-7.09,;1.17,-7.1,;.26,-8.36,;-1.21,-7.89,;-2.54,-8.66,;-3.87,-7.89,;-3.87,-6.35,;-2.54,-5.58,;-1.21,-6.35,;.26,-5.86,;.73,-4.39,;-.32,-3.25,)|

BDBM50113707

CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(NCCO)nc12

BDBM50375644

OS(=O)(=O)c1ccc2NC(=O)C(c2c1)c1[nH]c2ccccc2c1N=O

BDBM50229973

Cc1nc(N)sc1-c1ccnc(Nc2cccc(c2)[N+]([O-])=O)n1

BDBM50216157

O=C1NC(=O)c2c1c1cncn1c1[nH]c3ccccc3c21

BDBM6878

c1cc(c(c(c1)F)NC(=S)n2c(nc(n2)Nc3ccc(cc3)S(=O)(=O)N)N)F

BDBM50237622

NC1(Cc2ccc(Cl)cc2)CCN(CC1)c1ncnc2[nH]ccc12

BDBM50376059

NC1(CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1

BDBM50376067

NCC1(Cc2ccc(Cl)cc2)CCN(CC1)c1ncnc2[nH]ccc12

BDBM50376069

NC(C1CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1

BDBM50376063

NCC1(CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1

BDBM50376064

NC(C1CCN(CC1)c1ccnc2[nH]ccc12)c1ccc(Cl)cc1

BDBM50376057

NC1CCN(CC1)c1ncnc2[nH]ccc12

BDBM50376061

NCC1(Cc2ccc(Cl)cc2)CCN(CC1)c1ncnc2nc[nH]c12

BDBM50376062

NCC1(CCN(CC1)c1ccnc2[nH]ccc12)c1ccc(Cl)cc1

BDBM50376068

NCC1(CCN(CC1)c1ncnc2nc[nH]c12)c1ccc(Cl)cc1

BDBM50376066

NC(C1CCN(CC1)c1ncnc2[nH]ccc12)c1ccccc1

BDBM15211

c1cc2cnccc2c(c1)S(=O)(=O)NCCNC\C=C\c3ccc(cc3)Br

BDBM50376072

NC1CCN(CC1)c1ncnc2n[nH]cc12

BDBM50376076

NCC1CCN(CC1)c1ncnc2n[nH]cc12

BDBM50376071

NCC1CCN(CC1)c1ncnc2[nH]ccc12

BDBM12915

O=c1cc(oc2c(cccc12)-c1ccccc1)N1CCOCC1

BDBM50377190

Cc1ccc(cc1C)N1CCN(CCCNC(=O)c2nc(no2)-c2cccnc2)CC1

BDBM50377191

Clc1cccc(c1)N1CCN(CCCNC(=O)c2nc(no2)-c2ccncc2)CC1

BDBM50377192

CC1CN(CCCNC(=O)c2nc(no2)-c2ccncc2)CCN1c1cccc(C)c1 |w:1.0|

BDBM50377193

Cc1ccc(cc1C)N1CCN(CCCNC(=O)c2nc(no2)-c2cncnc2)CC1

BDBM50377194

Cc1ccc(C)c(c1)N1CCN(CCCNC(=O)c2nc(no2)-c2cncnc2)CC1

BDBM50377195

Cc1ccc(N2CCN(CCCNC(=O)c3nc(no3)-c3cncnc3)CC2)c(C)c1

BDBM50377196

CC1CN(CCN1CCCNC(=O)c1nc(no1)-c1cncnc1)c1cccc(C)c1 |w:1.0|

BDBM50377197

Cc1ccc(Cl)cc1N1CCN(CCCNC(=O)c2nc(no2)-c2cccnc2)CC1

BDBM50377198

Fc1ccccc1N1CCN(CCCNC(=O)c2nc(no2)-c2cccnc2)CC1

BDBM50377199

Cc1ccc(cc1)N1CCN(CCCNC(=O)c2nc(no2)-c2cccnc2)CC1

BDBM50377200

Cc1cccc(c1)N1CCN(CCCNC(=O)c2nc(no2)-c2cccnc2)CC1

BDBM50377201

Cc1cc(C)cc(c1)N1CCN(CCCNC(=O)c2nc(no2)-c2cccnc2)CC1

BDBM50377202

Cc1ccc(C)c(c1)N1CCN(CCCNC(=O)c2nc(no2)-c2cccnc2)CC1

BDBM50377203

O=C(NCCCN1CCN(CC1)c1ccccc1)c1nc(no1)-c1cccnc1

BDBM50377204

Cc1ccccc1N1CCN(CCCNC(=O)c2nc(no2)-c2cccnc2)CC1

BDBM50377205

CC1CN(CCN1CCCNC(=O)c1nc(no1)-c1cccnc1)c1cccc(C)c1 |w:1.0|

BDBM50377206

Cc1cccc(N2CCN(CCCNC(=O)c3nc(no3)-c3cccnc3)CC2)c1C

BDBM50377207

CC1CN(CCCNC(=O)c2nc(no2)-c2cccnc2)CCN1c1cccc(C)c1 |w:1.0|

BDBM50377208

COc1ccccc1N1CCN(CCCNC(=O)c2nc(no2)-c2cccnc2)CC1

BDBM50377209

O=C(NCCCN1CCN(CC1)c1ccccc1)c1nc(no1)-c1ccncc1

BDBM50377210

Cc1ccc(Cl)cc1N1CCN(CCCNC(=O)c2nc(no2)-c2cncnc2)CC1

BDBM50377211

Fc1ccccc1N1CCN(CCCNC(=O)c2nc(no2)-c2cncnc2)CC1

BDBM50377212

Cc1ccc(N2CCN(CCCNC(=O)c3nc(no3)-c3cccnc3)CC2)c(C)c1

BDBM50377213

Clc1cccc(c1)N1CCN(CCCNC(=O)c2nc(no2)-c2cccnc2)CC1

BDBM50377234

OC(=O)c1ccc(Nc2ncc(c(NC34CC5CC(CC(O)(C5)C3)C4)n2)[N+]([O-])=O)cc1 |w:18.25,16.15,TLB:13:14:17:22.19.20,21:20:17.18.24:15,THB:19:18:15:22.20.23,19:20:17.18.24:15,23:20:17:24.14.15,23:14:17:22.19.20,21:20:17:24.14.15,TEB:24:18:22:14.15.23|

BDBM50377230

OC(=O)c1ccc(Nc2ncc3nnn(c3n2)C23CC4CC(CC(C4)C2)C3)cc1 |THB:22:21:18:24.23.25,22:23:20.21.26:18,25:23:20:26.17.18,25:17:20:24.22.23|

BDBM50377231

OC(=O)c1ccc(Nc2ncc(c(NC34CC5CC(CC(C5)C3)C4)n2)[N+]([O-])=O)cc1 |TLB:13:14:17:21.19.20,THB:19:18:15:21.20.22,19:20:17.18.23:15,22:20:17:23.14.15,22:14:17:21.19.20|

BDBM50377232

O=C1OC(Nc2ncc3nnn(-c4ccccc4)c3n2)c2ccccc12 |w:3.3|

BDBM50377233

COC(=O)COc1ccc(Nc2ncc3nnn(-c4ccccc4)c3n2)cc1

BDBM50377235

OC(=O)COc1ccc(Nc2ncc3nnn(-c4ccccc4)c3n2)cc1

BDBM50377236

OC(=O)COc1ccc(Nc2ncc(c(Nc3ccccc3)n2)[N+]([O-])=O)cc1

BDBM50377237

OC(=O)\C=C/c1ccc(Nc2ncc3nnn(-c4ccccc4)c3n2)cc1

BDBM50377238

O[C@H]1CC[C@@H](CC1)Nc1ncc2nnn(-c3ccccc3)c2n1 |wU:4.7,wD:1.0,(22.09,-29.69,;22.09,-28.15,;23.43,-27.38,;23.43,-25.84,;22.1,-25.08,;20.76,-25.84,;20.76,-27.38,;22.09,-23.54,;20.76,-22.77,;20.75,-21.21,;19.41,-20.45,;18.08,-21.23,;16.61,-20.76,;15.71,-22.01,;16.62,-23.25,;16.15,-24.71,;14.64,-25.03,;14.17,-26.5,;15.21,-27.64,;16.72,-27.31,;17.19,-25.84,;18.09,-22.77,;19.42,-23.54,)|

BDBM50377239

O[C@H]1CC[C@@H](CC1)Nc1ncc(c(Nc2ccccc2)n1)[N+]([O-])=O |wU:4.7,wD:1.0,(10.05,-30.85,;10.05,-29.31,;11.38,-28.53,;11.38,-26.99,;10.05,-26.23,;8.71,-27,;8.71,-28.54,;10.05,-24.69,;8.71,-23.92,;8.7,-22.37,;7.36,-21.61,;6.04,-22.38,;6.04,-23.92,;4.7,-24.69,;4.7,-26.23,;3.36,-26.99,;3.36,-28.53,;4.69,-29.31,;6.03,-28.53,;6.03,-26.99,;7.37,-24.69,;4.7,-21.61,;4.7,-20.07,;3.37,-22.38,)|

BDBM50377240

OC(=O)CCc1ccc(Nc2ncc3nnn(-c4ccccc4)c3n2)cc1

BDBM50377241

OC(=O)c1ccc(Nc2ncc3nnn(-c4ccccc4)c3n2)cc1

BDBM50377242

N(c1ccccc1)c1ncc2nnn(-c3ccccc3)c2n1

BDBM50377244

[O-][N+](=O)c1cnc(Nc2ccccc2)nc1Nc1ccccc1

BDBM50377254

OC(=O)c1ccc(Nc2ncc(F)c(Nc3ccccc3)n2)cc1

BDBM50377255

OC(=O)c1ccc(Nc2ncc(c(Nc3ccccc3)n2)C(F)(F)F)cc1

BDBM50377256

OC(=O)c1ccc(Nc2ncc(c(Nc3ccccc3)n2)-c2ccncc2)cc1

BDBM50377257

OC(=O)c1ccc(Nc2ncc(Br)c(Nc3ccccc3)n2)cc1

BDBM50377246

O[C@H]1CC[C@@H](CC1)Nc1ncc(Cl)c(NC23CC4CC(CC(O)(C4)C2)C3)n1 |w:17.24,19.20,wU:4.7,wD:1.0,TLB:14:15:18:23.20.21,22:21:18.19.25:16,THB:20:21:18.19.25:16,22:21:18:25.15.16,24:21:18:25.15.16,24:15:18:23.20.21,TEB:20:19:16:23.21.24,(19.93,-27.3,;19.92,-25.76,;21.26,-24.98,;21.25,-23.45,;19.92,-22.69,;18.59,-23.46,;18.59,-24.99,;19.92,-21.15,;18.59,-20.38,;18.58,-18.83,;17.24,-18.06,;15.91,-18.84,;14.58,-18.07,;15.91,-20.38,;14.58,-21.15,;14.57,-22.69,;13.22,-23.17,;13.23,-24.65,;12.03,-25.93,;13.53,-25.51,;14.94,-26.07,;15.95,-24.79,;17.49,-24.73,;14.56,-25.14,;15.97,-23.27,;13.53,-23.92,;17.24,-21.15,)|

BDBM50377247

O[C@H]1CC[C@@H](CC1)Nc1ncc(Br)c(NC23CC4CC(CC(O)(C4)C2)C3)n1 |w:17.24,19.20,wU:4.7,wD:1.0,TLB:14:15:18:23.20.21,22:21:18.19.25:16,THB:20:21:18.19.25:16,22:21:18:25.15.16,24:21:18:25.15.16,24:15:18:23.20.21,TEB:20:19:16:23.21.24,(8.63,-27.96,;8.63,-26.42,;9.97,-25.64,;9.96,-24.1,;8.63,-23.34,;7.29,-24.11,;7.29,-25.65,;8.63,-21.8,;7.29,-21.03,;7.28,-19.48,;5.94,-18.72,;4.62,-19.49,;3.28,-18.72,;4.62,-21.03,;3.28,-21.8,;3.27,-23.34,;1.93,-23.82,;1.94,-25.31,;.74,-26.58,;2.24,-26.16,;3.65,-26.72,;4.66,-25.45,;6.2,-25.39,;3.26,-25.79,;4.67,-23.92,;2.23,-24.57,;5.95,-21.8,)|

BDBM50377262

OC(=O)c1ccc(Nc2ncc3[nH]c(=O)n(-c4ccccc4)c3n2)cc1

BDBM50377263

CCn1c2cnc(Nc3ccccc3)nc2n(-c2ccccc2)c1=O

BDBM50377264

CC(C)n1c2cnc(Nc3ccccc3)nc2n(-c2ccccc2)c1=O

BDBM50377265

OC(=O)c1ccc(Nc2ncc3NC(=O)CN(c4ccccc4)c3n2)cc1

BDBM50377258

OC(=O)c1ccc(Nc2ncc3c(Cl)nn(-c4ccccc4)c3n2)cc1

BDBM50377260

Cn1n(-c2ccccc2)c2nc(Nc3ccc(cc3)C(O)=O)ncc2c1=O

BDBM50377249

O[C@H]1CC[C@@H](CC1)Nc1ncc2nnn(c2n1)C12CC3CC(CC(O)(C3)C1)C2 |w:19.28,21.24,wU:4.7,wD:1.0,TLB:24:23:20.21.27:18,THB:22:23:20.21.27:18,26:23:20:27.17.18,26:17:20:25.22.23,24:23:20:27.17.18,TEB:22:21:18:25.23.26,(27.96,-16.98,;27.96,-15.44,;29.3,-14.66,;29.3,-13.13,;27.97,-12.36,;26.63,-13.13,;26.63,-14.67,;27.97,-10.82,;26.64,-10.05,;26.64,-8.5,;25.3,-7.73,;23.96,-8.5,;22.5,-8.03,;21.59,-9.28,;22.5,-10.52,;23.97,-10.04,;25.29,-10.82,;22.03,-11.99,;20.68,-12.46,;20.69,-13.95,;19.49,-15.23,;20.99,-14.81,;22.4,-15.37,;23.41,-14.09,;24.95,-14.03,;22.02,-14.44,;23.43,-12.56,;20.99,-13.22,)|

BDBM50377250

O[C@H]1CC[C@@H](CC1)Nc1ncc(c(NC23CC4CC(CC(O)(C4)C2)C3)n1)[N+]([O-])=O |w:18.19,16.16,wU:4.7,wD:1.0,TLB:13:14:17:22.19.20,21:20:17.18.24:15,THB:19:20:17.18.24:15,23:20:17:24.14.15,23:14:17:22.19.20,21:20:17:24.14.15,TEB:19:18:15:22.20.23,(12.04,-16.8,;12.03,-15.26,;13.37,-14.48,;13.36,-12.94,;12.03,-12.18,;10.7,-12.95,;10.7,-14.49,;12.03,-10.64,;10.7,-9.87,;10.69,-8.32,;9.35,-7.56,;8.02,-8.33,;8.02,-9.87,;6.69,-10.64,;6.68,-12.18,;5.33,-12.66,;5.34,-14.14,;4.14,-15.42,;5.64,-15,;7.05,-15.56,;8.06,-14.29,;9.6,-14.22,;6.67,-14.63,;8.08,-12.76,;5.64,-13.41,;9.35,-10.64,;6.68,-7.56,;6.68,-6.02,;5.35,-8.33,)|

BDBM50377252

OC(=O)CCc1ccc(Nc2ncc(c(NC34CC5CC(CC(C5)C3)C4)n2)[N+]([O-])=O)cc1 |TLB:15:16:19:23.21.22,THB:21:20:17:23.22.24,21:22:19.20.25:17,24:22:19:25.16.17,24:16:19:23.21.22|

BDBM50377253

OC(=O)c1ccc(Nc2ncc3nnn(c3n2)C23CC4CC(CC(O)(C4)C2)C3)cc1 |w:21.23,19.20,TLB:24:23:20.21.27:18,THB:22:23:20.21.27:18,26:23:20:27.17.18,26:17:20:25.22.23,24:23:20:27.17.18,TEB:22:21:18:25.23.26|

BDBM50377266

CC(C)(C)n1c2cnc(Nc3ccccc3)nc2n(-c2ccccc2)c1=O

BDBM50377267

Cn1c2cnc(Nc3ccccc3)nc2n(-c2ccccc2)c1=O

BDBM50377243

OC(=O)c1ccc(Nc2ncc(c(Nc3ccccc3)n2)[N+]([O-])=O)cc1

BDBM50377259

COc1nn(-c2ccccc2)c2nc(Nc3ccc(cc3)C(O)=O)ncc12

BDBM50377261

OC(=O)c1ccc(Nc2ncc(-c3c[nH]nn3)c(Nc3ccccc3)n2)cc1

BDBM50377248

O[C@H]1CC[C@@H](CC1)Nc1ncc(c(NC23CC4CC(CC(O)(C4)C2)C3)n1)C(F)(F)F |w:18.19,16.16,wU:4.7,wD:1.0,TLB:13:14:17:22.19.20,21:20:17.18.24:15,THB:19:20:17.18.24:15,21:20:17:24.14.15,23:20:17:24.14.15,23:14:17:22.19.20,TEB:19:18:15:22.20.23,(-3.23,-28.53,;-3.23,-26.99,;-1.9,-26.21,;-1.9,-24.67,;-3.23,-23.91,;-4.57,-24.68,;-4.57,-26.22,;-3.24,-22.37,;-4.57,-21.6,;-4.58,-20.05,;-5.92,-19.29,;-7.24,-20.06,;-7.24,-21.6,;-8.58,-22.37,;-8.59,-23.91,;-9.93,-24.39,;-9.93,-25.88,;-11.12,-27.15,;-9.62,-26.73,;-8.22,-27.3,;-7.2,-26.02,;-5.66,-25.96,;-8.6,-26.37,;-7.19,-24.49,;-9.63,-25.15,;-5.91,-22.37,;-8.58,-19.29,;-9.92,-18.52,;-7.81,-17.95,;-9.34,-20.63,)|

BDBM50377251

OC(=O)COc1ccc(Nc2ncc3nnn(c3n2)C23CC4CC(CC(O)(C4)C2)C3)cc1 |w:23.25,21.22,TLB:26:25:22.23.29:20,THB:24:25:22.23.29:20,28:25:22:29.19.20,28:19:22:27.24.25,26:25:22:29.19.20,TEB:24:23:20:27.25.28|

BDBM27216

CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1

BDBM7478

CC(C)[C@H](CO)Nc1nc(Nc2ccc(C(O)=O)c(Cl)c2)c2ncn(C(C)C)c2n1 |r|

BDBM50240462

Oc1ccc(\C=C2/NC(=O)NC2=O)cc1

BDBM50276690

CCSc1ccc(\C=C2/NC(=O)NC2=O)cc1

BDBM50297152

CCN(CC)c1ccc(\C=C2/NC(=O)NC2=O)cc1

BDBM50297153

COc1ccc(\C=C2/NC(=O)NC2=O)cc1

BDBM50297154

CSc1ccc(\C=C2/NC(=O)NC2=O)cc1

BDBM50297155

O=C1NC(=O)\C(N1)=C\c1ccc(cc1)-c1cccs1

BDBM50297156

O=C1NC(=O)\C(N1)=C\c1ccc(cc1)-c1ccsc1

BDBM50297157

Clc1ccc(\C=C2/NC(=O)NC2=O)cc1

BDBM50169959

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

BDBM50110208

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

BDBM31340

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

BDBM31090

CCOc1cc2c(cc1NC(=O)/C=C/CN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)Cl)F

BDBM50300044

CCCCCCCCOC(=O)c1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1

BDBM50300045

CCCCCCOC(=O)c1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1

BDBM50300046

CCCCCOC(=O)c1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1

BDBM50300047

CCCCOC(=O)c1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1

BDBM50300048

CCCOC(=O)c1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1

BDBM50300049

CCOC(=O)c1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1

BDBM50300050

CC(C)(C)c1ccc2[nH]c-3c(CC(=O)N(Cc4ccc(Cl)c(Cl)c4)c4ccccc-34)c2c1

BDBM50300051

Clc1ccc(CN2c3ccccc3-c3[nH]c4ccccc4c3CC2=O)cc1Cl

BDBM50300052

Cc1ccc(CN2c3ccccc3-c3[nH]c4ccccc4c3CC2=O)cc1

BDBM50300053

Clc1ccc(CN2c3ccccc3-c3[nH]c4ccc(Br)cc4c3CC2=O)cc1Cl

BDBM50300054

COc1ccc(CN2c3ccccc3-c3[nH]c4ccc(Br)cc4c3CC2=O)cc1

BDBM50300055

Cc1ccc(CN2c3ccccc3-c3[nH]c4ccc(Br)cc4c3CC2=O)cc1

BDBM50300056

COc1ccc2[nH]c-3c(CC(=O)N(Cc4ccccc4)c4ccccc-34)c2c1

BDBM50300057

Cc1ccc2[nH]c-3c(CC(=O)N(Cc4ccccc4)c4ccccc-34)c2c1

BDBM50300058

FC(F)(F)c1ccc2[nH]c-3c(CC(=O)N(Cc4ccccc4)c4ccccc-34)c2c1

BDBM50300059

CC(C)(C)c1ccc2[nH]c-3c(CC(=O)N(Cc4ccccc4)c4ccccc-34)c2c1

BDBM50300060

Clc1ccc2[nH]c-3c(CC(=O)N(Cc4ccccc4)c4ccccc-34)c2c1

BDBM50300062

COc1ccc2NC(=O)Cc3c([nH]c4ccc(Br)cc34)-c2c1

BDBM50300063

CS(=O)c1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1

BDBM50300064

CSc1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1

BDBM50300061

COC(=O)c1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1

BDBM50300065

OC(=O)c1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1

BDBM50300206

CCc1cc2C(=O)NC(=O)c2c2cc(OC)c(OC)cc12

BDBM50300207

COC(=O)c1cccc2c3C(=O)NC(=O)c3c(CC(C)C)cc12

BDBM50307987

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

BDBM50378657

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

BDBM50312990

Cn1cc(c2c1ccc(c2)F)C3=C(C(=O)NC3=O)c4cccc(c4)NC[C@@H](CO)O

BDBM50312991

Cn1cc(C2=C(N3CCOCC3)C(=O)NC2=O)c2ccccc12 |c:4|

BDBM50312992

Cn1cc(C2=C(N(C(=O)OC(C)(C)C)c3ccccc3)C(=O)NC2=O)c2ccccc12 |c:4|

BDBM50312993

Cn1cc(C2=C(Oc3ccccc3)C(=O)NC2=O)c2ccccc12 |c:4|

BDBM50312994

Cn1cc(C2=C(Nc3ccccc3)C(=O)NC2=O)c2ccccc12 |c:4|

BDBM50312995

Cn1cc(C2=C(Sc3ccccc3)C(=O)NC2=O)c2ccccc12 |c:4|

BDBM50312996

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

BDBM50312997

Cn1cc(C2=C(C(=O)NC2=O)c2cccc(NCCCO)c2)c2ccccc12 |t:4|

BDBM50312998

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

BDBM50312999

Cn1cc(C2=C(C(=O)NC2=O)c2cccc(C[C@H](O)CO)c2)c2ccccc12 |r,t:4|

BDBM50313000

Cn1cc(C2=C(C(=O)NC2=O)c2cccc(C[C@@H](O)CO)c2)c2ccccc12 |r,t:4|

BDBM50313001

COc1cccc(c1)C1=C(C(=O)NC1=O)c1cn(C)c2cccc(OC)c12 |t:9|

BDBM50313002

COc1cccc(c1)C1=C(C(=O)NC1=O)c1cn(C)c2cc(C)ccc12 |t:9|

BDBM50313003

COc1cccc(c1)C1=C(C(=O)NC1=O)c1cn(C)c2ccc(Cl)cc12 |t:9|

BDBM50313004

COc1cccc(c1)C1=C(C(=O)NC1=O)c1cn(C)c2cc(F)ccc12 |t:9|

BDBM50313005

COc1cccc(c1)C1=C(C(=O)NC1=O)c1c(C)n(C)c2ccccc12 |t:9|

BDBM2645

COc1cccc(c1)C1=C(C(=O)NC1=O)c1cn(C)c2ccccc12 |t:9|

BDBM50313006

Cn1cc(C2=C(C(=O)NC2=O)c2ccc(cc2)-c2ccccc2)c2ccccc12 |t:4|

BDBM50313007

Cn1cc(C2=C(C(=O)NC2=O)c2cccnc2)c2ccccc12 |t:4|

BDBM2604

Cn1cc(C2=C(C(=O)NC2=O)c2cccs2)c2ccccc12 |t:4|

BDBM50313008

COc1ccc(OC)c(c1)C1=C(C(=O)NC1=O)c1cn(C)c2ccccc12 |t:11|

BDBM50313009

COc1ccc(cc1OC)C1=C(C(=O)NC1=O)c1cn(C)c2ccccc12 |t:11|

BDBM50313010

COc1ccc(C2=C(C(=O)NC2=O)c2cn(C)c3ccccc23)c(OC)c1 |t:6|

BDBM2647

Cn1cc(C2=C(C(=O)NC2=O)c2cccc(N)c2)c2ccccc12 |t:4|

BDBM2651

Cn1cc(C2=C(C(=O)NC2=O)c2ccccc2Cl)c2ccccc12 |t:4|

BDBM50313011

CN(C)c1nc2CCCn3cc(C4=C(C(=O)NC4=O)C4=CN(CCCc1cc2)C1C=CC=CN41)c1ccccc31 |c:32,34,t:12,20|

BDBM50282633

CN(C)C[C@H]1CCn2c(C1)c(C1=C(C(=O)NC1=O)c1cn(C)c3ccccc13)c1ccccc21 |t:12|

BDBM50313012

Cn1cc(C2=C(C(=O)NC2=O)c2c3CN(CCn3c3ccccc23)C(N)=S)c2ccccc12 |t:4|

BDBM50313060

COc1ccc(cc1OC)-c1[nH][nH]c(=O)c1N=Nc1ccc(cc1)N1CCOCC1 |w:16.17|

BDBM50313061

COc1ccncc1-c1[nH][nH]c(=O)c1N=Nc1ccccc1 |w:14.15|

BDBM50313062

COc1ccncc1-c1[nH][nH]c(=O)c1N=Nc1ccc(Cl)cc1 |w:14.15|

BDBM50313063

COc1ccccc1N=Nc1c([nH][nH]c1=O)-c1cnccc1OC |w:9.10|

BDBM50313064

COc1cccc(c1)N=Nc1c([nH][nH]c1=O)-c1cnccc1OC |w:9.10|

BDBM50313065

COc1ccncc1-c1[nH][nH]c(=O)c1N=Nc1ccc(cc1)C#N |w:14.15|

BDBM50313066

COc1ccncc1-c1[nH][nH]c(=O)c1N=Nc1cccnc1 |w:14.15|

BDBM50313067

COc1ccncc1-c1[nH][nH]c(=O)c1N=Nc1ccncc1 |w:14.15|

BDBM50313068

COc1ccncc1-c1[nH][nH]c(=O)c1N=Nc1ccc(cc1)C(O)=O |w:14.15|

BDBM50313069

COc1ccncc1-c1[nH][nH]c(=O)c1N=Nc1ccc(cc1)N1CCOCC1 |w:14.15|

BDBM50313041

COc1cccc(c1)-c1[nH][nH]c(=O)c1N=Nc1ccc(cc1)C#N |w:14.15|

BDBM50313042

COc1cccc(c1)-c1[nH][nH]c(=O)c1N=Nc1ccccn1 |w:14.15|

BDBM50313043

COc1cccc(c1)-c1[nH][nH]c(=O)c1N=Nc1cccnc1 |w:14.15|

BDBM50313044

COc1cccc(c1)-c1[nH][nH]c(=O)c1N=Nc1ccncc1 |w:14.15|

BDBM50313045

COc1cccc(c1)-c1[nH][nH]c(=O)c1N=Nc1ccc(cc1)C(O)=O |w:14.15|

BDBM50313046

COc1cccc(c1)-c1[nH][nH]c(=O)c1N=Nc1ccc(cc1)N(C)C |w:14.15|

BDBM50313047

COc1cccc(c1)-c1[nH][nH]c(=O)c1N=Nc1ccc(cc1)N1CCOCC1 |w:14.15|

BDBM50313048

COc1ccc(cc1)-c1[nH][nH]c(=O)c1N=Nc1cccc(Cl)c1 |w:14.15|

BDBM50313049

COc1ccc(cc1)-c1[nH][nH]c(=O)c1N=Nc1ccc(Cl)cc1 |w:14.15|

BDBM50313050

COc1ccc(cc1)-c1[nH][nH]c(=O)c1N=Nc1cccc(OC)c1 |w:14.15|

BDBM50313051

COc1ccc(cc1)-c1[nH][nH]c(=O)c1N=Nc1cccnc1 |w:14.15|

BDBM50313052

COc1ccc(cc1)-c1[nH][nH]c(=O)c1N=Nc1ccncc1 |w:14.15|

BDBM50313053

COc1ccc(cc1)-c1[nH][nH]c(=O)c1N=Nc1ccc(cc1)N(C)C |w:14.15|

BDBM50313054

CCN(CC)c1ccc(cc1)N=Nc1c([nH][nH]c1=O)-c1ccc(OC)cc1 |w:12.13|

BDBM50313055

COc1ccc(cc1)-c1[nH][nH]c(=O)c1N=Nc1ccc(cc1)N1CCOCC1 |w:14.15|

BDBM50313056

COc1ccc(cc1OC)-c1[nH][nH]c(=O)c1N=Nc1cccc(Cl)c1 |w:16.17|

BDBM50313057

COc1cccc(c1)N=Nc1c([nH][nH]c1=O)-c1ccc(OC)c(OC)c1 |w:9.10|

BDBM50313058

COc1ccc(cc1OC)-c1[nH][nH]c(=O)c1N=Nc1ccc(cc1)N(C)C |w:16.17|

BDBM50313059

CCN(CC)c1ccc(cc1)N=Nc1c([nH][nH]c1=O)-c1ccc(OC)c(OC)c1 |w:12.13|

BDBM50313015

Clc1ccccc1N=Nc1c[nH][nH]c1=O |w:8.9|

BDBM50313016

Cc1[nH][nH]c(=O)c1N=Nc1ccccc1Cl |w:7.7|

BDBM50313017

CC(C)c1[nH][nH]c(=O)c1N=Nc1ccccc1Cl |w:9.9|

BDBM50313018

Clc1ccccc1N=Nc1c([nH][nH]c1=O)-c1ccccc1 |w:8.9|

BDBM50313019

Clc1ccccc1N=Nc1c([nH][nH]c1=O)-c1ccccn1 |w:8.9|

BDBM50313020

Clc1ccccc1N=Nc1c([nH][nH]c1=O)-c1cccnc1 |w:8.9|

BDBM50313021

Clc1ccccc1N=Nc1c([nH][nH]c1=O)-c1ccncc1 |w:8.9|

BDBM50313022

COc1cccc(c1)-c1[nH][nH]c(=O)c1N=Nc1ccccc1Cl |w:14.15|

BDBM50313023

COc1ccc(cc1OC)-c1[nH][nH]c(=O)c1N=Nc1ccccc1Cl |w:16.17|

BDBM50313024

O=c1[nH][nH]c(c1N=Nc1ccccc1)-c1ccccc1 |w:6.6|

BDBM50313025

Clc1cccc(c1)N=Nc1c([nH][nH]c1=O)-c1ccccc1 |w:8.9|

BDBM50313026

Clc1ccc(cc1)N=Nc1c([nH][nH]c1=O)-c1ccccc1 |w:8.9|

BDBM50313027

COc1ccccc1N=Nc1c([nH][nH]c1=O)-c1ccccc1 |w:9.10|

BDBM50313028

COc1cccc(c1)N=Nc1c([nH][nH]c1=O)-c1ccccc1 |w:9.10|

BDBM50313029

COc1ccc(cc1)N=Nc1c([nH][nH]c1=O)-c1ccccc1 |w:9.10|

BDBM50313030

COc1ccc(cc1)N=Nc1c([nH][nH]c1=O)-c1ccccn1 |w:9.10|

BDBM50313031

COc1ccc(cc1)N=Nc1c([nH][nH]c1=O)-c1cccnc1 |w:9.10|

BDBM50313032

COc1ccc(cc1)N=Nc1c([nH][nH]c1=O)-c1ccncc1 |w:9.10|

BDBM50313033

COc1ccc(cc1)N=Nc1c([nH][nH]c1=O)-c1cccc(OC)c1 |w:9.10|

BDBM50313034

COc1ccc(cc1)N=Nc1c([nH][nH]c1=O)-c1ccc(OC)cc1 |w:9.10|

BDBM50313035

COc1ccc(cc1)N=Nc1c([nH][nH]c1=O)-c1cc(OC)c(OC)c(OC)c1 |w:9.10|

BDBM50313036

COc1ccc(cc1)N=Nc1c([nH][nH]c1=O)-c1cnccc1OC |w:9.10|

BDBM50313037

COc1cccc(c1)-c1[nH][nH]c(=O)c1N=Nc1ccccc1 |w:14.15|

BDBM50313038

COc1cccc(c1)-c1[nH][nH]c(=O)c1N=Nc1cccc(Cl)c1 |w:14.15|

BDBM50313039

COc1cccc(c1)-c1[nH][nH]c(=O)c1N=Nc1ccc(Cl)cc1 |w:14.15|

BDBM50313040

COc1cccc(c1)N=Nc1c([nH][nH]c1=O)-c1cccc(OC)c1 |w:9.10|

BDBM50321657

c1nc2cnc(cn2c1-c1ccccc1)-c1ccncc1

BDBM50321655

c1n[nH]cc1-c1cn2c(cnc2cn1)-c1c[nH]c2ccccc12

BDBM27344

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

BDBM50325985

O=C1NC(=O)C2=C1c1cn(CCCc3ccc(CCCn4cc2c2cccnc42)s3)c2ncccc12 |c:5|

BDBM50335231

CC(C)(O)C(=O)N1CCN(CC1)c1ccc(c(c1)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12)C(F)(F)F |t:20|

BDBM50335913

Oc1ccc(CC2=C(C(=O)OC2)c2ccc(O)cc2)cc1 |t:6|

BDBM50335914

Oc1ccc(cc1)C1=C(Cc2ccc(O)c(O)c2)COC1=O |c:8|

BDBM50335915

Oc1ccc(CC2=C(C(=O)OC2)c2cc(O)cc(O)c2)cc1 |t:6|

BDBM50335916

Oc1cc(O)cc(c1)C1=C(Cc2ccc(O)c(O)c2)COC1=O |c:9|

BDBM50338873

COc1ccc(Cn2ncc(NC(=O)c3cc(NC(=O)Nc4ccc(Cl)c(c4)C(F)(F)F)ccc3C)c2N)cc1

BDBM50380246

CSc1ccccc1Nc2c3c(c(ncn3)NCC4CC4)nc(n2)N5CCNCC5

BDBM50382600

C(\N=c1/nc(-c2ccccc2)n(Cc2ccccc2)s1)c1cccnc1

BDBM50382601

CCOC(=O)C\N=c1/nc(-c2ccccc2)n(s1)-c1ccccc1

BDBM50382602

c1ccc(cc1)\N=c1/nc(-c2ccccc2)n(s1)-c1ccccc1

BDBM50382603

C(CN1CCOCC1)\N=c1/nc(-c2ccccc2)n(s1)-c1ccccc1

BDBM50382604

CCCCC\N=c1/nc(-c2ccc(OC)cc2)n(s1)-c1ccccc1

BDBM50382605

C(\N=c1/nc(-c2cccc3ccccc23)n(s1)-c1ccccc1)c1cccnc1

BDBM50382606

OCC\N=c1/nc(-c2ccccc2)n(s1)-c1ccccc1

BDBM50382607

CCCCCc1n\c(=N/Cc2cccnc2)sn1-c1ccccc1

BDBM50382608

OCC\N=c1/nc(-c2cccc3ccccc23)n(s1)-c1ccccc1

BDBM50382610

OCC\N=c1/nc(-c2ccccc2)n(s1)-c1cccc2ccccc12

BDBM50382611

C(\N=c1/nc(-c2ccccc2)n(s1)-c1cccc2ccccc12)c1cccnc1

BDBM50382612

FC(F)(F)c1ccc(cc1)-c1n\c(=N/Cc2cccnc2)sn1-c1ccccc1

BDBM50382613

COc1ccc(cc1)-c1n\c(=N/c2ccccc2)sn1-c1ccccc1

BDBM50382615

CCOC(=O)C\N=c1/nc(-c2ccc(OC)cc2)n(s1)-c1ccccc1

BDBM50382616

COc1ccc(cc1)-c1n\c(=N/CCO)sn1-c1ccccc1

BDBM50382617

COc1ccc(cc1)-c1n\c(=N/Cc2cccnc2)sn1-c1ccccc1

BDBM50382618

COc1ccc(cc1)-n1s\c(=N\CCO)nc1-c1ccccc1

BDBM50382619

Cc1n\c(=N/Cc2cccnc2)sn1-c1ccccc1

BDBM50382620

CCOC(=O)C\N=c1/nc(-c2ccccc2)n(s1)-c1ccc(cc1)[N+]([O-])=O

BDBM50382621

[O-][N+](=O)c1ccc(cc1)-n1s\c(=N\Cc2cccnc2)nc1-c1ccccc1

BDBM50382622

CCOC(=O)C\N=c1/nc(-c2ccccc2)n(s1)-c1ccc(OC)cc1

BDBM50382623

COc1ccc(cc1)-n1s\c(=N\Cc2cccnc2)nc1-c1ccccc1

BDBM50382624

C1CCC(CC1)\N=c1/nc(-c2ccccc2)n(s1)-c1ccccc1

BDBM50382625

c4ccc(N=c3nc(c1ccccc1)n(c2ccccc2)s3)cc4

BDBM50382626

CCCCC\N=c1/nc(-c2ccccc2)n(s1)-c1ccccc1

BDBM50382630

C(\N=c1/nc(-c2ccccc2)n(s1)-c1ccccc1)c1cccnc1

BDBM7779

CCCCn1c(=O)sn(CC)c1=O

BDBM50385915

C[C@@H](Oc1cc(ccc1C(N)=O)-c1cc(cnc1N)-c1cc(CN(C)C)cs1)\C=C/C(F)(F)F |r|

BDBM50386693

CC(C)(N)C(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc5sncc45)c(Cl)c3)c12

BDBM50386912

CCS(=O)(=O)Nc1ccc(CCNC(=O)c2ccnc3nc([nH]c23)-c2ccccc2)cc1

BDBM50386913

CCS(=O)(=O)Nc1ccc(CCNC(=O)c2ccc(O)c3nc([nH]c23)-c2ccccc2)cc1

BDBM50386914

CCS(=O)(=O)Nc1ccc(CCNC(=O)c2ccnc3nc([nH]c23)-c2ccc(F)cc2)cc1

BDBM50386915

CCS(=O)(=O)Nc1ccc(CCNC(=O)c2ccnc3nc([nH]c23)-c2ccc(F)cc2F)cc1

BDBM50386916

CCS(=O)(=O)Nc1ccc(CCNC(=O)c2ccnc3nc([nH]c23)-c2cccs2)cc1

BDBM50386917

CCS(=O)(=O)Nc1ccc(CCNC(=O)c2ccnc3nc([nH]c23)-c2ccsc2)cc1

BDBM50386918

CCS(=O)(=O)Nc1ccc(CCNC(=O)c2ccnc3nc([nH]c23)-c2ccoc2)cc1

BDBM50386919

Fc1ccc(cc1)-c1nc2nccc(C(=O)NCCc3ccc(F)nc3)c2[nH]1

BDBM50386920

Fc1ccc(cc1)-c1nc2nccc(C(=O)Nc3cccnc3)c2[nH]1

BDBM50386921

Fc1ccc(cc1)-c1nc2nccc(C(=O)NCCCc3ccc(Cl)nc3)c2[nH]1

BDBM50386922

Oc1cccc(CCNC(=O)c2ccnc3nc([nH]c23)-c2ccc(F)cc2)c1

BDBM50386923

CS(=O)(=O)Nc1ccc(CCNC(=O)c2ccnc3nc([nH]c23)-c2ccc(F)cc2)cc1

BDBM50386924

CN(C)S(=O)(=O)Nc1ccc(CCNC(=O)c2ccnc3nc([nH]c23)-c2ccc(F)cc2)cc1

BDBM50386925

CS(=O)(=O)Nc1ccc(CCNC(=O)c2ccnc3nc([nH]c23)-c2ccoc2)cc1

BDBM50386926

CS(=O)(=O)Nc1ccc(CCNC(=O)c2ccnc3nc([nH]c23)-c2cccs2)cc1

BDBM50386927

CN(C)S(=O)(=O)Nc1ccc(CCNC(=O)c2ccnc3nc([nH]c23)-c2ccsc2)cc1

BDBM50386928

Clc1ncccc1CCNC(=O)c1ccnc2nc([nH]c12)-c1ccoc1

BDBM50386930

Cc1ccncc1NC(=O)c1ccnc2nc([nH]c12)N1CCC(C1)c1ccccc1

BDBM50386931

CCN(CC)c1ccc(cc1)-c1nc2nccc(C(=O)Nc3cnccc3C)c2[nH]1

BDBM50386932

COc1ccncc1NC(=O)c1ccnc2nc([nH]c12)-c1ccc(F)cc1

BDBM50386933

CCOc1ccncc1NC(=O)c1ccnc2nc([nH]c12)-c1ccc(F)cc1

BDBM50386934

Cc1ccc(NC(=O)c2ccnc3nc([nH]c23)-c2ccc(F)cc2)cn1

BDBM50386935

COc1ccc(cc1)-c1nc2nccc(C(=O)Nc3cnccc3C)c2[nH]1

BDBM50386936

COc1cccc(c1)-c1nc2nccc(C(=O)Nc3cnccc3C)c2[nH]1

BDBM50386937

CCOc1ccncc1NC(=O)c1ccnc2nc([nH]c12)-c1cccnc1

BDBM50386938

CCOc1ccncc1NC(=O)c1ccnc2nc([nH]c12)-c1cccc(OC)c1

BDBM50386939

COc1ccncc1NC(=O)c1ccnc2nc([nH]c12)-c1cccc(Cl)c1

BDBM50386940

COc1ccncc1NC(=O)c1ccnc2nc([nH]c12)-c1ccncc1

BDBM50386941

CS(=O)(=O)Nc1ccc(CCNC(=O)c2ccnc3nc([nH]c23)-c2ccc(Cl)cc2)cc1

BDBM50388782

CC(=O)Nc1ccc2cnn(-c3cc(NC4CC4)n4ncc(C#N)c4n3)c2c1

BDBM50388783

CC(=O)Nc1cnc2ccn(-c3cc(NC4CC4)n4ncc(C#N)c4n3)c2c1

BDBM50388784

CN(C)CCCNc1cc(nc2c(cnn12)C#N)-n1ccc2ccc(NC(C)=O)cc12

BDBM50388785

CN(C(C)=O)c1ccc2ccn(-c3cc(NC4CC4)n4ncc(C#N)c4n3)c2c1

BDBM50388776

CC(=O)Nc1ccc2[nH]cc(-c3cc(NC4CC4)n4ncc(C#N)c4n3)c2c1

BDBM50388781

CC(=O)Nc1ccc2n(CCC(O)=O)cc(-c3cc(NC4CC4)n4ncc(C#N)c4n3)c2c1

BDBM50388786

CC(=O)Nc1ccc2ccn(-c3cc(NC4CC4)n4ncc(C#N)c4n3)c2c1

BDBM50389081

N#Cc1ccccc1-c1ccc(CSc2nnc(o2)-c2ccc3OCCOc3c2)cc1

BDBM50389078

COC[C@H]1COc2ccc(cc2O1)-c1nnc(SCc2ccc(cc2)-c2ccccc2C#N)o1 |r|

BDBM50389088

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

BDBM50389089

N#Cc1ccc(CSc2nnc(o2)-c2ccc3OCOc3c2)cc1

BDBM50389090

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

BDBM50389091

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

BDBM50389085

COC(=O)c1ccc(CSc2nnc(o2)-c2ccc3OCCOc3c2)cc1

BDBM50389092

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

BDBM50389093

C(Sc1nnc(o1)-c1ccc2OCOc2c1)c1ccc(cc1)-c1nnn[nH]1

BDBM50389086

C(Sc1nnc(o1)-c1ccc2OCOc2c1)c1ccc(cc1)-c1ccccc1

BDBM50389079

Fc1ccc(-c2ccc(CSc3nnc(o3)-c3ccc4OCOc4c3)cc2)c(c1)C#N

BDBM50389087

N#Cc1ccccc1-c1ccc(CSc2nnc(o2)-c2ccc3OCOc3c2)cc1

BDBM50389080

N#Cc1ccc(cc1)-c1ccc(CSc2nnc(o2)-c2ccc3OCOc3c2)cc1

BDBM50389082

N#Cc1ccccc1-c1ccc(CSc2nnc(o2)-c2ccncc2)cc1

BDBM50389084

COC[C@@H]1COc2ccc(cc2O1)-c1nnc(SCc2ccc(cc2)-c2ccccc2C#N)o1 |r|

BDBM50389121

CN(C)C[C@@H](OC(=O)N1Cc2c(NC(=O)C(C)(C)C)[nH]nc2C1(C)C)c1ccccc1 |r|

BDBM50389205

C[C@@H](O[C@H]1CC[C@H](O[C@@H]2CC[C@@H](OC(=O)[C@H](C)[C@@H](O)C(\C)=C\c3ccc4C(=O)C=CC(=O)c4c3)[C@H](C)O2)[C@H](C)O1)[C@H](C)[C@H](O)[C@@H](C)[C@H](O)[C@H](C)[C@H]1OC(=O)\C=C\[C@H](C)[C@@H](O)C[C@H](O)\C=C\CC[C@@H](C)[C@@H](O)[C@H](O)[C@@]2(O)O[C@H](C[C@@H](O)[C@@H]2O)C[C@H](C[C@@H](O)C[C@H](O)C[C@@H](O)[C@@H]2O[C@H]2[C@H]1C)OC(C)=O |r,c:28,t:58,67|

BDBM50389320

CSc1ccccc1Nc1nc(nc2c(NCC3CC3)ncnc12)N1CCN(CC1)C1CCNCC1

BDBM50389975

Cn1cc(Nc2ncc(Br)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)cn1 |r,c:16|

BDBM124350

c1cc(c(nc1)Oc2ccc(cc2)Nc3[nH]c4cc(ccc4n3)C#N)C(F)(F)F

BDBM50390495

N#Cc1ccc2nc(Nc3ccc(cc3)-c3ccccc3)[nH]c2c1

BDBM50390496

Fc1ncccc1-c1ccc(Nc2nc3ccc(cc3[nH]2)C#N)cc1

BDBM50390498

CC(C)(C)c1ccc(cc1)Nc2[nH]c3cc(ccc3n2)C#N

BDBM50390500

CC(C)(O)c1ccc(Nc2nc3ccc(cc3[nH]2)C#N)cc1

BDBM50390499

Cc1ccc(Nc2nc3ccc(cc3[nH]2)C#N)cc1

BDBM50391643

CC(C)(C(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(Cl)c4)c(Cl)c3)c12)S(C)(=O)=O

BDBM50394165

CCN(CC)S(=O)(=O)c1cc(ccc1Cl)Nc2nccc(n2)c3ccnc(c3)c4ccc(cc4)NC(=O)NC

BDBM50395262

N[C@H]1CC[C@@H](CC1)Nc1cc(Nc2ccc(F)c(Cl)c2)n2nccc2n1 |r,wU:4.7,wD:1.0,(19.34,-11.51,;18,-12.28,;16.67,-11.51,;15.33,-12.28,;15.33,-13.82,;16.67,-14.59,;18,-13.82,;14,-14.59,;12.67,-13.82,;12.67,-12.28,;11.33,-11.51,;11.33,-9.97,;12.67,-9.2,;12.67,-7.66,;14,-6.89,;15.33,-7.66,;16.67,-6.89,;15.33,-9.2,;16.67,-9.97,;14,-9.97,;10,-12.28,;8.54,-11.8,;7.63,-13.05,;8.54,-14.29,;10,-13.82,;11.33,-14.59,)|

BDBM50395887

Oc1cc2c(oc3ncc(OCc4ccccc4)c(-c4ccccc4)c23)c2ccccc12

BDBM50395888

Cc1cc2oc3ncc(OCc4ccccc4)c(-c4ccccc4)c3c2cc1O

BDBM50395889

COc1ccc2oc3ncc(O)c(-c4ccccc4)c3c2c1

BDBM50395890

COc1ccc2oc3ncc(OCc4ccccc4)c(-c4ccccc4)c3c2c1

BDBM50395891

COc1ccc2oc3ncc(OC)c(-c4ccccc4)c3c2c1

BDBM50395892

Oc1ccc2oc3ncc(O)c(-c4ccccc4)c3c2c1

BDBM50395893

Oc1ccc2oc3ncc(OCc4ccccc4)c(-c4ccccc4)c3c2c1

BDBM7453

COc1cnc2oc3ccc(O)cc3c2c1-c1ccccc1

BDBM50395894

Oc1cnc2oc3c(cc(O)c4ccccc34)c2c1-c1ccccc1

BDBM50397741

CCN(CCN(C)C)S(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)C(=O)Nc1cccnc1

BDBM50397742

CN(C)CCNS(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)C(=O)Nc1cccnc1

BDBM50397743

Nc1ncc(nc1C(=O)Nc1cccnc1)-c1ccc(cc1)S(=O)(=O)N1CCOCC1

BDBM50397744

Nc1ncc(nc1C(=O)Nc1cccnc1)-c1ccc(cc1)S(=O)(=O)N1CCCCC1

BDBM50397746

COCCNS(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)C(=O)Nc1cccnc1

BDBM50397747

CN1CCN(CC1)S(=O)(=O)c1ccc(cc1F)-c1cnc(N)c(n1)C(=O)Nc1cccnc1

BDBM50397748

CN1CCN(CC1)S(=O)(=O)c1ccc(-c2cnc(N)c(n2)C(=O)Nc2cccnc2)c(c1)C(F)(F)F

BDBM50397749

CN1CCN(CC1)S(=O)(=O)c1ccc(c(C)c1)-c1cnc(N)c(n1)C(=O)Nc1cccnc1

BDBM50397750

COCCCNC(=O)c1nc(cnc1N)-c1ccc(cc1)S(=O)(=O)N1CCN(C)CC1

BDBM50397751

COCCNC(=O)c1nc(cnc1N)-c1ccc(cc1)S(=O)(=O)N1CCN(C)CC1

BDBM50397752

COc1cccc(NC(=O)c2nc(cnc2N)-c2ccc(cc2)S(=O)(=O)N2CCN(C)CC2)c1

BDBM50397753

CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)C(=O)Nc1ncns1

BDBM50397754

COc1ccc(NC(=O)c2nc(cnc2N)-c2ccc(cc2)S(=O)(=O)N2CCN(C)CC2)cc1

BDBM50397756

CN(C)Cc1ccncc1NC(=O)c1nc(cnc1N)-c1ccc(cc1)S(=O)(=O)N1CCCC1

BDBM50397757

CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)C(=O)Nc1cnccc1CN1CCCC1

BDBM50397758

CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)-c1cncc(n1)C(=O)Nc1cccnc1

BDBM50397759

CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)Nc1cccnc1

BDBM50397760

CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)-c1ccc(N)c(c1)C(=O)Nc1cccnc1

BDBM50397761

CN(C)CCN(C)C(=O)c1ccc(cc1)-c1cnc(N)c(n1)C(=O)Nc1cccnc1

BDBM50397762

CN1CCN(CC1)C(=O)c1ccc(cc1)-c1cnc(N)c(n1)C(=O)Nc1cccnc1

BDBM50397763

Nc1ncc(nc1C(=O)Nc1cccnc1)-c1ccc(cc1)S(N)(=O)=O

BDBM50397764

Nc1ncc(nc1C(=O)Nc1cccnc1)-c1ccc(cc1)S(=O)(=O)N1CCCC1

BDBM50397765

Nc1ncc(nc1C(=O)Nc1cccnc1)-c1ccc(OCCN2CCCCC2)cc1

BDBM50397766

CN1CCN(CC1)S(=O)(=O)c1ccc(cc1C)-c1cnc(N)c(n1)C(=O)Nc1cccnc1

BDBM50397767

CN1CCN(CC1)S(=O)(=O)c1cc(C)c(cc1C)-c1cnc(N)c(n1)C(=O)Nc1cccnc1

BDBM50397768

CN1CCN(CC1)S(=O)(=O)c1ccc(c(F)c1)-c1cnc(N)c(n1)C(=O)Nc1cccnc1

BDBM50397769

CN1CCN(CC1)S(=O)(=O)c1ccccc1-c1cnc(N)c(n1)C(=O)Nc1cccnc1

BDBM50397770

CN1CCN(CC1)S(=O)(=O)c1cccc(c1)-c1cnc(N)c(n1)C(=O)Nc1cccnc1

BDBM50399676

CN1CCN(CC1)c2ccc(cc2)Nc3ncc4c(n3)n(c(n4)Nc5ccccc5)C6CCCC6

BDBM50400753

COc1cnc(COc2cc(F)c(F)cc2C)cc1-c1cc2c(CCNC2=O)[nH]1

BDBM50400754

COc1cnc(COc2ccc(F)cc2C)cc1-c1cc2c(CCNC2=O)[nH]1

BDBM50400755

COc1cnc(COc2ccc(F)c(F)c2)cc1-c1cc2c(CCNC2=O)[nH]1

BDBM50400756

COc1cnc(COc2ccc(F)cc2F)cc1-c1cc2c(CCNC2=O)[nH]1

BDBM50400757

COc1cnc(COc2ccc(F)cc2)cc1-c1cc2c(CCNC2=O)[nH]1

BDBM50400744

COc1cnc(CCc2ccc(F)cc2)cc1-c1cc2c(CCNC2=O)[nH]1

BDBM50400745

COc1cnc(COc2ccc(F)cc2)nc1-c1cc2c(CCNC2=O)[nH]1

BDBM50400746

COc1cnc(Oc2ccccc2)nc1-c1cc2c(CCNC2=O)[nH]1

BDBM50400747

COc1cnc(OCc2ccc(F)cc2)nc1-c1cc2c(CCNC2=O)[nH]1

BDBM50400748

COc1cnc(Nc2ccccc2)nc1-c1cc2c(CCNC2=O)[nH]1

BDBM50400749

COc1cnc(NCc2ccccc2)nc1-c1cc2c(CCNC2=O)[nH]1

BDBM50400750

COc1cnc(CCc2ccc(F)cc2)nc1-c1cc2c(CCNC2=O)[nH]1

BDBM50400751

COc1cnc(\C=C\c2ccc(F)cc2)nc1-c1cc2c(CCNC2=O)[nH]1

BDBM50400752

COc1cnc(nc1-c1cc2c(CCNC2=O)[nH]1)-c1cnc2ccccc2c1

BDBM50401152

CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccn2nc(N)nc2c1

BDBM50401285

CC(C)(C#N)Oc1cccc(c1Cl)C(=O)Nc2cc(ccc2F)N(C)c3ccc4c(n3)sc(n4)NC(=O)C5CC5

BDBM50401955

[O-][N+](=O)c1ccccc1CN1c2ccccc2SC(CC1=O)c1ccccc1

BDBM50401956

Clc1cccc(CN2c3ccccc3SC(CC2=O)c2ccco2)c1

BDBM50401957

O=C1CC(Sc2ccccc2N1Cc1ccccc1)c1ccco1

BDBM50401958

CC(C)N1c2ccccc2SC(CC1=O)c1ccco1

BDBM50401959

CN1c2ccccc2SC(CC1=O)c1ccco1

BDBM50401960

O=C1CC(Sc2ccccc2N1Cc1ccccc1)c1cccs1

BDBM50401961

CC(C)N1c2ccccc2SC(CC1=O)c1cccs1

BDBM50401962

CCN1c2ccccc2SC(CC1=O)c1cccs1

BDBM50401963

CN1c2ccccc2SC(CC1=O)c1cccs1

BDBM50401964

O=C1CC(Sc2ccccc2N1)c1cccs1

BDBM50401965

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

BDBM50401966

CCCCCCCCCCCCCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](COP(O)(O)=O)C(=O)N1CCC[C@@H]1C(O)=O |r|

BDBM50402020

CC(C)(C)Nc1c(Nc2ccnc(Nc3ccc(cc3)-c3ccncc3)n2)c(=O)c1=O

BDBM50402339

FC(F)(F)c1cccc(c1)C(=O)Nc1cccc(Oc2ccc3nccn3n2)c1

BDBM50334268

CC(C)(C)c1ccc(cc1)C(=O)Nc2cn3cc(ccc3n2)n4ccnc4

BDBM86638

O=C(Nc1sc2CCCCc2c1C#N)c1cccc2ccccc12

BDBM50411406

O=C(Nc1sc2N(CCCc2c1C#N)C(=O)C1CC1)c1cccc2ccccc12

BDBM50350908

CN(CCO)S(=O)(=O)c1ccc(cc1)-c1ccnc2[nH]c(C)cc12

BDBM50415616

COc1cc2CCN=C(c3ccc(Cl)c(Cl)c3)c2cc1Cl |t:7|

BDBM50415620

COc1cc2CCN=C(c3cccc(Cl)c3)c2cc1Cl |t:7|

BDBM50418986

CS(=O)(=O)Nc1cccc(c1)-c1c[nH]c(=O)c2cc(sc12)-c1ccnc2[nH]ccc12

BDBM50418987

O=c1[nH]cc(-c2ccc(cc2)N2CCOCC2)c2sc(cc12)-c1cn[nH]c1

BDBM50418988

Cn1cc(-c2ccc(cc2)N2CCOCC2)c2sc(cc2c1=O)-c1ccncc1

BDBM50418997

COc1ncc(-c2ccc(cc2)N2CCOCC2)c2sc(cc12)-c1ccncc1

BDBM50418989

Fc1ccc(cc1-c1c[nH]c(=O)c2cc(sc12)-c1ccncc1)C#N

BDBM50418991

O=c1[nH]cc(-c2cccc(CC#N)c2)c2sc(cc12)-c1ccncc1

BDBM50418992

Clc1cccc(n1)-c1c[nH]c(=O)c2cc(sc12)-c1ccncc1

BDBM50418998

O=c1[nH]cc(-c2cscc2C#N)c2sc(cc12)-c1ccncc1

BDBM50418999

COCc1ccccc1-c1c[nH]c(=O)c2cc(sc12)-c1ccncc1

BDBM50418994

COc1cc(F)ccc1-c1c[nH]c(=O)c2cc(sc12)-c1ccncc1

BDBM50418995

CN(C)C(=O)c1ccccc1-c1c[nH]c(=O)c2cc(sc12)-c1ccncc1

BDBM50419000

O=c1[nH]cc(-c2ccc(cc2)N2CCOCC2)c2sc(cc12)-c1ccncc1

BDBM50419001

O=c1[nH]ccc2oc(cc12)-c1ccncc1

BDBM50419002

Cc1cc(ccn1)-c1cc2c(s1)c(c[nH]c2=O)-c1cccc(NS(C)(=O)=O)c1

BDBM50418990

O=c1[nH]cc(-c2ccc3OCCOc3c2)c2sc(cc12)-c1ccncc1

BDBM50418993

CCOc1ccc(cn1)-c1c[nH]c(=O)c2cc(sc12)-c1ccncc1

BDBM50418996

O=c1[nH]cc(-c2cccc3cccnc23)c2sc(cc12)-c1ccncc1

BDBM50419003

Brc1c[nH]c(=O)c2cc(sc12)-c1ccncc1

BDBM50419004

Oc1ccc(cc1)-c1c[nH]c(=O)c2cc(sc12)-c1ccncc1

BDBM50424221

Nc1c(sc2nc(N)c(C#N)c(-c3ccccc3I)c12)C(=O)c1ccc(Cl)cc1 |(23.63,-18.92,;23.15,-20.39,;24.07,-21.64,;23.15,-22.9,;21.68,-22.42,;20.35,-23.19,;19.01,-22.42,;17.67,-23.19,;19.02,-20.88,;17.69,-20.12,;16.35,-19.35,;20.34,-20.1,;20.33,-18.57,;21.67,-17.8,;21.66,-16.26,;20.33,-15.49,;18.99,-16.27,;19,-17.81,;17.67,-18.59,;21.68,-20.87,;25.61,-21.64,;26.37,-20.3,;26.38,-22.97,;25.61,-24.31,;26.39,-25.64,;27.93,-25.63,;28.71,-26.96,;28.69,-24.28,;27.92,-22.96,)|

BDBM50424222

Nc1c(sc2nc(N)c(C#N)c(-c3ccccc3Cl)c12)C(=O)c1cccc(c1)C#N |(27.74,-14.77,;27.26,-16.24,;28.17,-17.49,;27.26,-18.75,;25.79,-18.27,;24.45,-19.04,;23.12,-18.27,;21.78,-19.04,;23.12,-16.72,;21.78,-15.94,;20.45,-15.17,;24.45,-15.95,;24.44,-14.42,;25.77,-13.64,;25.77,-12.11,;24.43,-11.34,;23.1,-12.12,;23.11,-13.66,;21.78,-14.43,;25.78,-16.72,;29.71,-17.49,;30.48,-16.16,;30.48,-18.82,;29.71,-20.15,;30.48,-21.49,;32.02,-21.49,;32.79,-20.14,;32.01,-18.82,;34.32,-20.14,;35.86,-20.13,)|

BDBM50424223

Nc1c(sc2nc(N)c(C#N)c(-c3ccccc3Cl)c12)C(=O)c1cccc(Cl)c1 |(27.03,-4.45,;26.56,-5.91,;27.47,-7.17,;26.56,-8.42,;25.08,-7.94,;23.75,-8.72,;22.42,-7.94,;21.08,-8.71,;22.42,-6.4,;21.08,-5.62,;19.75,-4.85,;23.75,-5.63,;23.74,-4.1,;25.07,-3.32,;25.07,-1.78,;23.73,-1.02,;22.4,-1.8,;22.41,-3.33,;21.08,-4.11,;25.08,-6.39,;29.01,-7.17,;29.78,-5.83,;29.78,-8.5,;29,-9.83,;29.77,-11.17,;31.32,-11.17,;32.08,-9.82,;33.62,-9.82,;31.31,-8.5,)|

BDBM50424224

Nc1c(sc2nc(N)c(C#N)c(-c3ccccc3Br)c12)C(=O)c1cccc(Cl)c1 |(50.21,-49.5,;49.73,-50.97,;50.65,-52.22,;49.74,-53.48,;48.26,-53,;46.93,-53.77,;45.59,-53,;44.26,-53.77,;45.6,-51.45,;44.26,-50.67,;42.93,-49.9,;46.92,-50.68,;46.91,-49.15,;48.25,-48.38,;48.24,-46.84,;46.91,-46.07,;45.57,-46.85,;45.58,-48.39,;44.25,-49.17,;48.26,-51.45,;52.19,-52.22,;52.96,-50.89,;52.96,-53.56,;52.18,-54.89,;52.95,-56.22,;54.49,-56.22,;55.26,-54.88,;56.8,-54.87,;54.49,-53.55,)|

BDBM50424225

Nc1c(sc2nc(N)c(C#N)c(-c3ccccc3I)c12)C(=O)c1cccc(Cl)c1 |(12,-38.21,;11.52,-39.68,;12.44,-40.93,;11.53,-42.18,;10.05,-41.71,;8.72,-42.48,;7.38,-41.71,;6.05,-42.47,;7.39,-40.16,;6.05,-39.38,;4.72,-38.61,;8.71,-39.39,;8.7,-37.86,;10.04,-37.08,;10.03,-35.55,;8.7,-34.78,;7.36,-35.56,;7.37,-37.1,;6.04,-37.87,;10.05,-40.15,;13.98,-40.93,;14.75,-39.6,;14.75,-42.26,;13.97,-43.59,;14.74,-44.93,;16.28,-44.93,;17.05,-43.58,;18.59,-43.58,;16.28,-42.26,)|

BDBM50424226

COc1ccccc1-c1c(C#N)c(N)nc2sc(C(=O)c3ccccc3)c(N)c12 |(2.87,-6.42,;4.21,-7.18,;5.54,-6.4,;5.53,-4.87,;6.86,-4.1,;8.2,-4.85,;8.2,-6.39,;6.87,-7.16,;6.87,-8.7,;5.54,-9.47,;4.21,-8.69,;2.87,-7.92,;5.54,-11.02,;4.21,-11.79,;6.87,-11.79,;8.21,-11.02,;9.68,-11.5,;10.59,-10.24,;12.13,-10.24,;12.9,-8.91,;12.91,-11.57,;12.13,-12.91,;12.9,-14.24,;14.44,-14.24,;15.21,-12.89,;14.44,-11.57,;9.68,-8.99,;10.16,-7.52,;8.21,-9.47,)|

BDBM50425829

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

BDBM50425830

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

BDBM50425831

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

BDBM50425832

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

BDBM50425862

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

BDBM50425863

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

BDBM50425864

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

BDBM50425865

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

BDBM50425861

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

BDBM50426175

CCCCCCCC(=O)OC[C@H](O)[C@H]1OC(=O)C(O)C1=O

BDBM50426172

C[C@H](CCC\C(C)=C\CCc1coc(Cc2ccoc2)c1)C=C1OC(=O)C(C)C1=O |r,w:22.24|

BDBM50426171

C[C@H](CC\C=C(\C)CCCc1coc(Cc2ccoc2)c1)C=C1OC(=O)C(C)C1=O |r,w:22.24|

BDBM50426173

CCCCCCCCCCCCCC(=O)OC[C@H](O)[C@H]1OC(=O)C(O)C1=O

BDBM50426174

CCCCCCCCCC(=O)OC[C@H](O)[C@H]1OC(=O)C(O)C1=O

BDBM50191405

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

BDBM50191425

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

BDBM50191442

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

BDBM50426316

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

BDBM50426315

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

BDBM50426317

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

BDBM50426338

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

BDBM50426318

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

BDBM50426337

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

BDBM50426319

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

BDBM50426320

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

BDBM50426321

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

BDBM50426322

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

BDBM50426324

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

BDBM50426325

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

BDBM50426326

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

BDBM50426333

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

BDBM50426327

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

BDBM50426328

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

BDBM50426330

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

BDBM50426329

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

BDBM50426306

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

BDBM50426307

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

BDBM50426308

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

BDBM50426310

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

BDBM50426309

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

BDBM50426313

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

BDBM50426335

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

BDBM50426314

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

BDBM50426331

Brc1cccc2C(C(=O)Nc12)c1[nH]c2ccc(CN=O)cc2c1N=O

BDBM50426332

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

BDBM50426312

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

BDBM50426334

Brc1cccc2C(C(=O)Nc12)=C1Nc2ccc(CN=O)cc2C1=O |w:11.13|

BDBM50426339

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

BDBM50426336

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

BDBM50426461

c1cc2c(c[nH]c2nc1)c3cc(nc(c3)Cl)NC4CCCCC4

BDBM50428451

O=C1CC(Sc2ccccc2N1Cc1ccccc1C#N)c1ccccc1

BDBM50428452

O=C1CC(Sc2ccccc2N1Cc1ccccc1)c1ccccc1

BDBM50428453

O=C1CC(Sc2ccccc2N1Cc1ccccc1)c1cccnc1

BDBM50428454

CC1CC(=O)N(Cc2ccccc2)c2ccccc2S1

BDBM50428455

O=C1CCSc2ccccc2N1Cc1ccccc1

BDBM50428456

O=C(N1c2ccccc2SC(CC1=O)c1cccs1)c1ccccc1

BDBM50428457

O=C1CC(Sc2ccccc2N1CC1CCCCC1)c1cccs1

BDBM50428458

CCCCN1c2ccccc2SC(CC1=O)c1cccs1

BDBM50428459

BDBM50428460

[O-][N+](=O)c1ccccc1CN1c2ccccc2SC(CC1=O)c1ccc(Br)cc1

BDBM50428463

[O-][N+](=O)c1ccccc1CN1c2ccccc2SC(Cc2ccccc2)CC1=O

BDBM50428464

Clc1cccc(c1)C(=O)CN1c2ccccc2SC(CC1=O)c1ccccc1

BDBM50428465

COC(=O)c1cccc(CN2c3ccccc3SC(CC2=O)c2ccccc2)c1

BDBM50428466

OC(=O)c1cccc(CN2c3ccccc3SC(CC2=O)c2ccccc2)c1

BDBM50428467

COc1ccc(CN2c3ccccc3SC(CC2=O)c2ccccc2)cc1

BDBM50428468

Cc1ccccc1CN1c2ccccc2SC(CC1=O)c1ccccc1

BDBM50428469

Brc1ccccc1CN1c2ccccc2SC(CC1=O)c1ccccc1

BDBM50428470

Clc1ccccc1CN1c2ccccc2SC(CC1=O)c1ccccc1

BDBM50428471

Fc1ccccc1CN1c2ccccc2SC(CC1=O)c1ccccc1

BDBM50429867

Cc1c(F)c(ccc1C(=O)N1CCOc2ccc(cc2C1)-c1ccc(N)nc1)S(C)(=O)=O

BDBM50431812

[O-][N+](=O)c1ccccc1-c1n[nH]cc1C=C1C(=O)Nc2ccccc12 |w:14.15|

BDBM50432373

c1cc(c2ccsc2c1)Oc3ccc(cc3Cl)Nc4c5c(ncn4)NCCC(=C5)C(=O)NCCO

BDBM50001733

Oc1cccc(Nc2ccnc3[nH]c4ccccc4c23)c1

BDBM50012060

Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1nc(Nc2ccc(cc2)C(=O)N2CCOCC2)c2nc[nH]c2n1

BDBM50019437

NC(=N)Nc1ccc(Oc2ccc(NC(N)=N)cc2)cc1

BDBM50019441

NC(=N)Nc1ccc(Oc2cccc(NC(N)=N)c2)cc1

BDBM50019442

NC(=N)Nc1ccc(cc1)C(=O)c1cccc(NC(N)=N)c1

BDBM50019444

NC(=N)Nc1ccc(Cc2cccc(NC(N)=N)c2)cc1

BDBM50019445

NC(=N)Nc1ccc(Nc2cccc(NC(N)=N)c2)cc1

BDBM50019446

C1CN=C(Nc2ccc(Oc3cccc(NC4=NCCN4)c3)cc2)N1

BDBM50019447

O=C(c1ccc(NC2=NCCN2)cc1)c1cccc(NC2=NCCN2)c1

BDBM50019448

C(c1ccc(NC2=NCCN2)cc1)c1cccc(NC2=NCCN2)c1

BDBM50019449

NC(=N)Nc1cccc(Oc2ccc(NC(=N)Nc3ccccc3)cc2)c1

BDBM50019450

NC(=N)Nc1cccc(c1)C(=O)c1ccc(NC(=N)Nc2ccccc2)cc1

BDBM50019451

NC(=N)Nc1cccc(Cc2ccc(NC(=N)Nc3ccccc3)cc2)c1

BDBM50019452

NC(=N)Nc1cccc(Nc2ccc(NC(=N)Nc3ccccc3)cc2)c1

BDBM50019453

NC(=N)Nc1ccc(Oc2cccc(NC(=N)Nc3ccccc3)c2)cc1

BDBM50019454

NC(=N)Nc1ccc(Cc2cccc(NC(=N)Nc3ccccc3)c2)cc1

BDBM50019455

NC(=N)Nc1cccc(Oc2ccc(NC(=N)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)c1

BDBM50019456

NC(=N)Nc1cccc(c1)C(=O)c1ccc(NC(=N)Nc2ccc(Cl)c(c2)C(F)(F)F)cc1

BDBM50019459

NC(=N)Nc1cccc(Cc2ccc(NC(=N)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)c1

BDBM50019460

NC(=N)Nc1cccc(Nc2ccc(NC(=N)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)c1

BDBM50019428

NC(=N)Nc1ccc(Oc2cccc(NC(=N)Nc3ccc(Cl)c(c3)C(F)(F)F)c2)cc1

BDBM50019429

NC(=N)Nc1ccc(Cc2cccc(NC(=N)Nc3ccc(Cl)c(c3)C(F)(F)F)c2)cc1

BDBM50019432

CC(=O)Nc1cccc(Oc2ccc(NC(=N)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)c1

BDBM50019436

CC(=O)Nc1cccc(Nc2ccc(NC(=N)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)c1

BDBM50021626

CC(C)(C)CNC(=O)CC1CNC(=O)c2cc(cn12)-c1ccsc1

BDBM50021627

CC(C)(C)CNC(=O)CC1CNC(=O)c2cc(cn12)-c1ccncc1

BDBM50021625

Fc1cccc(CNC(=O)CC2CNC(=O)c3cc(cn23)-c2cn[nH]c2)c1

BDBM50021618

CN1CCN(C[C@@H](NC(=O)C[C@H]2CNC(=O)c3cc(cn23)-c2cccc(Cl)c2)C2CCCCC2)CC1 |r|

BDBM50030881

CC(=O)c1ccc(cc1)N2CCN(CC2)C(=O)CN3CC[C@H](C3)C(=O)Nc4ccc(c(c4)Cl)O

BDBM50031747

COc1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12

BDBM50038423

Oc1ccc(\C=C2\Oc3ccccc3C2=O)cc1O

BDBM50039984

CCCCCCCCCCCC(=O)NNC(=O)C1Sc2ccccc2N(CC)C1=O

BDBM50039985

CCCCCCCCCCCC(=O)NNC(=O)C1Sc2ccccc2N(Cc2ccccc2)C1=O

BDBM50039986

BDBM50043416

CN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1

BDBM50044849

COc1ccc(cc1)S(=O)(=O)Nc1c(C)cc(C)cc1C

BDBM50045370

Clc1ccc(cc1)-c1ccc(o1)-c1nccn1-c1ccc(cc1)N1CCNCC1

BDBM50046523

COc1cc(NCCCN)c2nccc(C)c2c1Oc1cccc(c1)C(F)(F)F

BDBM50046524

COc1cc(NCc2ccc(O)cc2)c2nccc(C)c2c1Oc1cccc(c1)C(F)(F)F

BDBM50046525

COc1cc(NCc2cccc3cccnc23)c2nccc(C)c2c1Oc1cccc(c1)C(F)(F)F

BDBM50046526

Cc1ccnc2c(NCc3ccc(O)cc3)cc(O)c(Oc3cccc(c3)C(F)(F)F)c12

BDBM50048357

c1cc2c(c(c1)F)c3nc(nn3c(n2)Cc4ccc5c(c4)OCO5)N

BDBM50048362

Nc1nc2c3ccc(N)cc3nc(Cc3ccc4OCOc4c3)n2n1

BDBM50048364

OCCCNc1ccc2c3ncnn3c(nc2c1)-c1ccc2OCOc2c1

BDBM50048365

c1cc2c(cc1Cc3nc4cc(ccc4c5n3nc(n5)N)NCCO)OCO2

BDBM50048374

CN1CCN(CC1)c1cc(F)c2c3nc(N)nn3c(Cc3ccc4OCOc4c3)nc2c1

BDBM50050712

OC(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wU:3.2,wD:10.12,(15.61,-25.66,;14.11,-26.02,;13.05,-24.9,;13.67,-27.49,;14.73,-28.62,;14.29,-30.09,;12.8,-30.45,;11.74,-29.34,;12.83,-28.23,;13.22,-29.72,;12.18,-27.86,;11.12,-26.75,;9.63,-27.1,;9.19,-28.58,;7.69,-28.94,;6.63,-27.82,;7.06,-26.35,;8.56,-25.99,;9,-24.51,;7.25,-30.41,;8.2,-31.63,;7.32,-32.91,;5.84,-32.47,;4.53,-33.27,;3.18,-32.54,;3.14,-31,;1.79,-30.27,;4.45,-30.19,;5.8,-30.93,)|

BDBM50064139

Cn1c(nc(cc1=O)-c1ccncc1F)N1CCOCC1

BDBM50064140

CC(C)C1CN(CCO1)c1nc(cc(=O)n1C)-c1ccncc1F

BDBM50064141

CCCCC1CN(CCO1)c1nc(cc(=O)n1C)-c1ccncc1F

BDBM50064142

Cn1c(nc(cc1=O)-c1ccncc1F)N1CCOC(C1)C1CCC1

BDBM50064143

C[C@@H]1COCCN1c1nc(cc(=O)n1C)-c1ccncc1F |r|

BDBM50064144

CC[C@@H]1COCCN1c1nc(cc(=O)n1C)-c1ccncc1F |r|

BDBM50064145

CC(C)[C@@H]1COCCN1c1nc(cc(=O)n1C)-c1ccncc1F |r|

BDBM50064146

C[C@H]1COCCN1c1nc(cc(=O)n1C)-c1ccncc1F |r|

BDBM50064147

CC[C@H]1COCCN1c1nc(cc(=O)n1C)-c1ccncc1F |r|

BDBM50443871

Cn1c(nc(cc1=O)-c1ccncn1)N1CCO[C@H](C1)c1ccc(F)cc1 |r|

BDBM50064148

C[C@@H]1CN([C@H](C)CO1)c1nc(cc(=O)n1C)-c1ccncc1F |r|

BDBM50064149

C[C@H]1CN([C@H](C)CO1)c1nc(cc(=O)n1C)-c1ccncc1F |r|

BDBM50064150

C[C@@H]1OCCN([C@@H]1C)c1nc(cc(=O)n1C)-c1ccncc1F |r|

BDBM50064151

C[C@@H]1OCCN([C@H]1C)c1nc(cc(=O)n1C)-c1ccncc1F |r|

BDBM50064152

C[C@H]1OCCN([C@@H]1C)c1nc(cc(=O)n1C)-c1ccncc1F |r|

BDBM50064153

CC1N(CCOC1(C)C)c1nc(cc(=O)n1C)-c1ccncc1F

BDBM50064154

[H][C@@]12CCC[C@@]1([H])N(CCO2)c1nc(cc(=O)n1C)-c1ccncc1F |r|

BDBM50064155

[H][C@]12CCC[C@]1([H])N(CCO2)c1nc(cc(=O)n1C)-c1ccncc1F |r|

BDBM50064156

[H][C@@]12CCCC[C@@]1([H])N(CCO2)c1nc(cc(=O)n1C)-c1ccncc1F |r|

BDBM50064157

[H][C@@]12COC[C@@]1([H])N(CCO2)c1nc(cc(=O)n1C)-c1ccncc1F |r|

BDBM50074575

NC(=O)c1ccc(nn1)-c1ccnc(NC(=O)C2CC2)c1

BDBM50074576

CC(C)Oc1nc(ncc1C(N)=O)-c1ccnc(NC(=O)C2CC2)c1

BDBM50074578

COc1nc(ncc1C(N)=O)-c1ccnc(NC(=O)C2CC2)c1

BDBM50074579

NC(=O)c1cnc(cn1)-c1ccnc(NC(=O)C2CC2)c1

BDBM50074580

Cn1nc(cc1-c1ccnc(NC(=O)C2CC2)c1)C(N)=O

BDBM50074581

CC(C)Oc1cc(ncc1C(N)=O)-c1ccnc(NC(=O)C2CC2)c1

BDBM50074582

NC(=O)c1cnc(cc1OCC(F)(F)F)-c1ccnc(NC(=O)C2CC2)c1

BDBM50074583

COc1cc(ncc1C(N)=O)-c1ccnc(NC(=O)C2CC2)c1

BDBM50074584

COc1cc(cnc1C(N)=O)-c1ccnc(NC(=O)C2CC2)c1

BDBM50074585

NC(=O)c1ccc(cn1)-c1ccnc(NC(=O)C2CC2)c1

BDBM50074586

O=C(Nc1cc(ccn1)-c1ccc2ccccc2c1)C1CC1

BDBM50074587

O=C(Nc1cc(ccn1)-c1ccc2ncccc2c1)C1CC1

BDBM50074588

O=C(Nc1cc(ccn1)-c1ccc2ccncc2c1)C1CC1

BDBM50074589

O=C(Nc1cc(ccn1)-c1ccc2cccnc2c1)C1CC1

BDBM50074591

O=C(Nc1cc(ccn1)-c1ccc2NC(=O)CCCc2c1)C1CC1

BDBM50074593

O=C(Nc1cc(ccn1)-c1ccc2c(OCCNC2=O)c1)C1CC1

BDBM50074595

O=C(Nc1cc(ccn1)-c1ccc2c(CCCNC2=O)c1)C1CC1

BDBM50074640

O=C(Nc1cc(ccn1)-c1ccc2C(=O)NCc2c1)C1CC1

BDBM50074663

O=C(Nc1cc(ccn1)-c1ccc2C(=O)NCCc2c1)C1CC1

BDBM50074671

COc1sc(nc1C(N)=O)-c1ccnc(NC(=O)C2CC2)c1

BDBM50074675

NC(=O)c1sc(nc1OC1CCC1)-c1ccnc(NC(=O)C2CC2)c1

BDBM50074676

NC(=O)c1sc(nc1OCC1CC1)-c1ccnc(NC(=O)C2CC2)c1

BDBM50074677

CC(C)Oc1nc(sc1C(N)=O)-c1ccnc(NC(=O)C2CC2)c1

BDBM50074691

Cc1nc(sc1C(N)=O)-c1ccnc(NC(=O)C2CC2)c1

BDBM50074692

NC(=O)c1cnc(s1)-c1ccnc(NC(=O)C2CC2)c1

BDBM50086441

CCn1nc(C#Cc2cc(ccc2C)C(=O)Nc2ccc(CN3CCN(C)CC3)c(c2)C(F)(F)F)c2c(N)ncnc12

BDBM50090907

Oc1ccc2c3ccnc4ccc(=O)n(c2c1)c34

BDBM50090908

[H][C@@]1(COC(=O)C1)[C@]1([H])CC=C2[C@@]1(C)CC[C@@]1([H])[C@@]2(C)[C@@H](C[C@@]2([H])C(C)(C)C(=O)C=C[C@]12C)OC(C)=O |r,c:11,32|

BDBM50090909

OC[C@H]1O[C@@H](Oc2ccc3c4ccnc5ccc(=O)n(c3c2)c45)[C@H](O)[C@@H](O)[C@@H]1O |r|

BDBM50093351

COc1cc(cnc1Cl)N1CCc2nc(NC(=O)NCCc3cn(CC(F)F)cn3)sc2C1

BDBM50093352

COc1cncc(n1)N1CCc2nc(NC(=O)NCCc3cn(CC(F)F)cn3)sc2C1

BDBM50095952

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

BDBM50103374

O=C1NC(=O)C(=C1c1cn(CCCN2CCOCC2)c2ccccc12)c1nnc2ccccn12 |c:5|

BDBM50103375

OCCCn1cc(C2=C(C(=O)NC2=O)c2nnc3ccccn23)c2ccccc12 |t:7|

BDBM50103376

O=C1NC(=O)C(=C1c1cn(CCCn2ccnc2)c2ccccc12)c1nnc2ccccn12 |c:5|

BDBM50103377

CC(C)n1cc(C2=C(C(=O)NC2=O)c2nnc3ccccn23)c2ccccc12 |t:6|

BDBM50103378

CCCCn1cc(C2=C(C(=O)NC2=O)c2nnc3ccccn23)c2ccccc12 |t:7|

BDBM50103379

C=CCn1cc(C2=C(C(=O)NC2=O)c2nnc3ccccn23)c2ccccc12 |t:6|

BDBM50103380

COc1ccc2n(C)cc(C3=C(C(=O)NC3=O)c3nnc4ccccn34)c2c1 |t:10|

BDBM50103381

Cn1cc(C2=C(C(=O)NC2=O)c2nnc3ccccn23)c2ccc(Br)cc12 |t:4|

BDBM50103382

Cn1cc(C2=C(C(=O)NC2=O)c2nnc3ccccn23)c2cc(Br)ccc12 |t:4|

BDBM50103383

Cn1cc(C2=C(C(=O)NC2=O)c2nnc3ccccn23)c2ccc(Cl)cc12 |t:4|

BDBM50103384

Cn1cc(C2=C(C(=O)NC2=O)c2nnc3ccccn23)c2cc(Cl)ccc12 |t:4|

BDBM50103385

Cn1cc(C2=C(C(=O)NC2=O)c2nnc3ccccn23)c2ccc(F)cc12 |t:4|

BDBM50103386

Cn1cc(C2=C(C(=O)NC2=O)c2nnc3ccccn23)c2cc(F)ccc12 |t:4|

BDBM50103387

Cc1cccc2c(cn(C)c12)C1=C(C(=O)NC1=O)c1nnc2ccccn12 |t:13|

BDBM50103388

Cn1cc(C2=C(C(=O)NC2=O)c2nnc3ccccn23)c2ccccc12 |t:4|

BDBM50103389

O=C1NC(=O)C(=C1c1c[nH]c2ccccc12)c1nnc2ccccn12 |c:5|

BDBM138348

c1c(cc(c2c1CN(C2=O)C3CCN(CC3)C4CCC(CC4)(F)F)C(=O)N)F

BDBM50123803

CN(C)CCCNC(=O)c1csc2nc(cn12)-c1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1

BDBM50128294

c1cnc(cc1C#N)Nc2cc(n(n2)C3CCCC3)C4CCN(CC4)C5COC5

BDBM50134188

CCOC(=O)CN1CCC(CNC(=O)c2n[nH]c3ccc(Br)cc23)CC1

BDBM50134914

[O-]C(=O)c1ccc(CN2CCC(CNC(=O)c3n[nH]c4ccc(Br)cc34)CC2)o1

BDBM50134240

BrCC(=O)c1ccc(cc1)C1C(=O)c2ccccc2C1=O

BDBM50145900

O\C(\C=C\c1ccc(OCc2cc(F)cc(F)c2)cc1)=C/C(=O)/C=C/c1ccc(OCc2cc(F)cc(F)c2)cc1

BDBM50145902

O\C(\C=C\c1ccc(OCc2ccc(F)cc2F)cc1)=C/C(=O)/C=C/c1ccc(OCc2ccc(F)cc2F)cc1

BDBM50145903

O\C(\C=C\c1ccc(OCc2ccccc2)cc1)=C/C(=O)/C=C/c1ccc(OCc2ccccc2)cc1

BDBM50145904

O\C(\C=C\c1ccc(OCc2ccccc2)cc1)=C/C(=O)/C=C/c1ccc(O)cc1

BDBM50145905

COc1ccc(\C=C\C(=O)\C=C(/O)\C=C\c2ccc(OCc3ccccc3)cc2)cc1

BDBM50145907

O\C(\C=C\c1ccc(O)cc1)=C/C(=O)/C=C/c1ccc(O)cc1

BDBM50145908

COc1cc(\C=C\C(\O)=C\C(=O)\C=C\c2ccc(C)cc2)ccc1O

BDBM50145917

O\C(\C=C\c1ccc(OCc2ccc(F)cc2)cc1)=C/C(=O)/C=C/c1ccc(OCc2ccc(F)cc2)cc1

BDBM50059982

COc1ccc(C=CC(=O)CC(=O)C=Cc2ccc(OC)cc2)cc1 |w:6.5,14.14|

BDBM50145913

O=C(CC(=O)\C=C\c1ccc(OCc2ccccc2)cc1)\C=C\c1ccc(OCc2ccccc2)cc1

BDBM50145912

Fc1ccc(COc2ccc(\C=C\C(=O)CC(=O)\C=C\c3ccc(OCc4ccc(F)cc4F)cc3)cc2)c(F)c1

BDBM50145910

Fc1cc(F)cc(COc2ccc(\C=C\C(=O)CC(=O)\C=C\c3ccc(OCc4cc(F)cc(F)c4)cc3)cc2)c1

BDBM50157879

[H][C@]1(CN2CCC2)C[C@]([H])(C1)n1cc(-c2cccc(OCc3ccccc3)c2)c2c(N)ncnc12 |wD:8.9,1.0,(6.47,-15.11,;5.71,-13.78,;4.93,-15.11,;5.69,-16.44,;5.68,-17.98,;7.22,-17.99,;7.23,-16.45,;5.31,-12.3,;6.81,-11.9,;6.02,-10.55,;7.2,-13.39,;7.59,-10.56,;6.61,-9.37,;7.45,-8.07,;7.04,-6.58,;5.56,-6.19,;5.15,-4.71,;6.24,-3.6,;7.73,-3.99,;8.81,-2.89,;10.15,-3.66,;11.48,-2.89,;12.81,-3.66,;14.12,-2.9,;14.13,-1.36,;12.8,-.59,;11.48,-1.36,;8.13,-5.47,;8.94,-8.47,;10.35,-7.7,;10.34,-6.15,;11.69,-8.46,;11.69,-10.01,;10.35,-10.79,;9.02,-10.01,)|

BDBM50156383

CC(=O)N1CCN(CC1)[C@H]1C[C@H](C1)n1cc(-c2cc(OC[C@@H]3CCCO3)ccc2F)c2c(N)ncnc12 |r,wU:21.22,wD:11.14,9.9,(4.28,-11.46,;5,-10.46,;6.22,-10.59,;4.36,-9.06,;2.83,-8.9,;2.2,-7.5,;3.1,-6.26,;4.64,-6.41,;5.27,-7.81,;2.74,-4.76,;3.54,-3.45,;2.24,-2.7,;1.42,-3.96,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.91,;4.33,4.34,;5.86,4.56,;6.43,5.99,;7.96,6.21,;9.01,5.1,;10.39,5.78,;10.17,7.31,;8.66,7.57,;3.38,5.55,;1.86,5.34,;1.29,3.91,;.07,3.74,;.3,.77,;-1.03,1.55,;-1.03,2.79,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,)|

BDBM50157628

CC(=O)N1CCN(CC1)[C@H]1C[C@H](C1)n1cc(-c2cccc(OC[C@@H]3CCCO3)c2F)c2c(N)ncnc12 |r,wD:11.14,23.24,9.9,(4.28,-11.46,;5,-10.46,;6.22,-10.59,;4.36,-9.06,;2.83,-8.9,;2.2,-7.5,;3.1,-6.26,;4.64,-6.41,;5.27,-7.81,;2.74,-4.76,;3.54,-3.45,;2.24,-2.7,;1.42,-3.96,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.91,;4.33,4.34,;3.38,5.55,;1.86,5.34,;.91,6.55,;1.49,7.98,;.54,9.2,;-.98,9.12,;-1.51,10.57,;-.3,11.52,;.98,10.66,;1.29,3.91,;.07,3.74,;.3,.77,;-1.03,1.55,;-1.03,2.79,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,)|

BDBM50158429

Nc1ncnc2n(cc(-c3cccc(OCC45CCC(CC4)O5)c3)c12)[C@@H]1C[C@H](CN2CCC2)C1 |r,wD:25.29,27.32,(-1.03,2.79,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.92,;4.34,4.35,;3.39,5.56,;1.86,5.34,;.91,6.56,;1.49,7.99,;.54,9.2,;-.78,8.6,;-1.87,9.66,;-1.5,11.15,;-.02,11.55,;1.07,10.5,;-.08,10.34,;1.29,3.91,;.3,.77,;2.24,-2.7,;3.54,-3.45,;2.74,-4.76,;3.1,-6.26,;4.58,-6.69,;5.27,-8.03,;6.62,-7.29,;5.88,-5.94,;1.42,-3.96,)|

BDBM50157880

Nc1ncnc2n(cc(-c3cccc(O)c3)c12)[C@@H]1C[C@H](CN2CCC2)C1 |r,wD:17.19,19.22,(-1.03,2.79,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.91,;4.33,4.34,;3.38,5.56,;1.86,5.34,;1.1,6.31,;1.29,3.91,;.3,.77,;2.24,-2.7,;3.54,-3.45,;2.74,-4.76,;3.1,-6.25,;4.58,-6.69,;5.27,-8.02,;6.62,-7.28,;5.88,-5.93,;1.42,-3.96,)|

BDBM50166588

C[C@@H](N1c2cc(ccc2C(=O)NC1(C)C)-n1c2cccnc2[nH]c1=O)c1ccccc1 |r|

BDBM50135214

COc1ccc(CNC(=O)Nc2nc(C)c(s2)C(C)=O)cc1

BDBM158154

CN1CCN(CC1)c2ccc(c(c2)NC3CCOCC3)C(=O)Nc4c5cc(ccc5[nH]n4)Cc6cc(cc(c6)F)F

BDBM50182493

CN1C(=O)COc2c1cnc1ccc(Sc3nnc4c(F)cc(cn34)-c3cnn(C)c3)cc21

BDBM50190169

Cc1nc2ccccc2n1Cc1nnc(Nc2ccccc2Br)s1

BDBM50190170

Cc1nc2ccccc2n1CC(=O)NNC(=O)Cc1ccc(Cl)cc1

BDBM50190171

Cc1nc2ccccc2n1CC(=O)NNC(=O)Cc1ccccc1C

BDBM50190172

COc1ccc(CC(=O)NNC(=O)Cn2c(C)nc3ccccc23)cc1

BDBM50190173

Cc1nc2ccccc2n1CC(=O)NNC(=O)Cc1ccc(cc1)[N+]([O-])=O

BDBM50190174

Cc1nc2ccccc2n1CC(=O)NNC(=O)c1c[nH]c2ccccc12

BDBM50190175

Cc1nc2ccccc2n1CC(=O)NNC(=O)c1ccc[nH]1

BDBM50190176

Cc1nc2ccccc2n1CC(=O)NNC(=O)CCC(=O)c1ccc(Oc2ccccc2)cc1

BDBM50190177

Cc1nc2ccccc2n1CC(=O)NNC(=O)Cc1ccccc1

BDBM50190178

Cc1nc2ccccc2n1CC(=O)NNC(=O)C(=O)c1c[nH]c2ccccc12

BDBM50190179

Cc1nc2ccccc2n1CC(=O)NNC(=O)Cc1cc2ccccc2[nH]1

BDBM50190180

Cc1nc2ccccc2n1CC(=O)NNC(=O)Cc1cccc2ccccc12

BDBM50190181

COc1ccc(cc1)C(=O)CCC(=O)NNC(=O)Cn1c(C)nc2ccccc12

BDBM50190182

CCCCNc1nnc(Cn2c(C)nc3ccccc23)s1

BDBM50190183

Cc1nc2ccccc2n1Cc1nnc(NC2CCCCC2)s1

BDBM50190184

Cc1nc2ccccc2n1Cc1nnc(Nc2ccc(cc2)[N+]([O-])=O)s1

BDBM50190185

CCOc1ccc(Nc2nnc(Cn3c(C)nc4ccccc34)s2)cc1

BDBM50190257

COc1ccccc1Nc1nnc(Cn2c(C)nc3ccccc23)s1

BDBM50190310

COc1ccc(Nc2nnc(Cn3c(C)nc4ccccc34)s2)cc1

BDBM50190311

Cc1nc2ccccc2n1Cc1nnc(Nc2ccccc2F)s1

BDBM50190312

Cc1nc2ccccc2n1Cc1nnc(Nc2ccc(Br)cc2)s1

BDBM50190313

Cc1nc2ccccc2n1Cc1nnc(Nc2ccc(F)cc2)s1

BDBM50190314

Cc1nc2ccccc2n1Cc1nnc(Nc2ccccc2Cl)s1

BDBM50190315

Cc1nc2ccccc2n1Cc1nnc(Nc2ccc(Cl)cc2)s1

BDBM50190316

Cc1nc2ccccc2n1Cc1nnc(Nc2ccccc2)s1

BDBM50192838

O=C1Nc2ncccc2N[C@H]1Cc1c[nH]c2ccccc12 |r|

BDBM50192839

C[C@@H]1C(=O)Nc2c(cccn2)N1

BDBM50192879

c1ccc2c(c1)c(c[nH]2)C[C@@H]3C(=O)Nc4c(cccn4)N3

BDBM50193561

Oc1ccc(\C=C2/S\C(NC2=O)=N/c2ccccc2)cc1

BDBM50193567

Oc1ccc(\C=C2/SC(NCc3ccccc3)=NC2=O)cc1 |c:17|

BDBM50193568

COc1ccc(\C=C2/S\C(NC2=O)=N/Cc2ccccc2)cc1OC

BDBM50193588

COc1ccc(\C=C2/SC(=N)NC2=O)cc1OC

BDBM50193589

[O-][N+](=O)c1cc(\C=C2/S\C(NC2=O)=N/Cc2ccccc2)ccc1Cl

BDBM50193590

Fc1ccc(\C=C2/S\C(NC2=O)=N/c2ccccc2)cc1

BDBM50193591

COc1ccc(\C=C2/S\C(NC2=O)=N/Cc2ccccc2)cc1[N+]([O-])=O

BDBM50193592

OC(=O)c1cc(\C=C2/SC(=N)NC2=O)ccc1O

BDBM50193593

CCOc1cc(\C=C2/S\C(NC2=O)=N/Cc2ccccc2)ccc1O

BDBM50202377

Cc1cc2\C(=N\NC(=O)c3ccccc3O)C(=O)Nc2cc1Br

BDBM50203547

O=C(CNC(=O)c1cnc2[nH]ccc2c1)NCCc1c[nH]c2ccccc12

BDBM50203549

O=C(NCCc1c[nH]cn1)\C=C\c1cnc2[nH]cc(-c3ccccc3)c2c1

BDBM50203550

O=C(NCCc1ccccn1)\C=C\c1cnc2[nH]cc(-c3ccccc3)c2c1

BDBM50203551

OC[C@@H](Cc1ccccc1)NC(=O)\C=C\c1cnc2[nH]cc(-c3ccccc3)c2c1 |r|

BDBM50203631

O=C(CNC(=O)c1ccc2[nH]cc(-c3ccccc3)c2c1)NCCc1c[nH]c2ccccc12

BDBM50203632

O=C(CNC(=O)c1cnc2[nH]cc(-c3ccccc3)c2c1)NCCc1c[nH]cn1

BDBM50203634

C[C@@H](NC(=O)\C=C\c1cnc2[nH]cc(-c3ccccc3)c2c1)[C@@H](O)c1ccccc1 |r|

BDBM50203635

O=C(NCCc1cccnc1)\C=C\c1cnc2[nH]cc(-c3ccccc3)c2c1

BDBM50203637

O=C(CNC(=O)c1cnc2[nH]cc(C(=O)c3ccccc3)c2c1)NCCc1c[nH]c2ccccc12

BDBM50203638

O=C(CNC(=O)c1cnc2[nH]c(cc2c1)-c1ccccc1)NCCc1c[nH]c2ccccc12

BDBM50208911

CC1(C)C(=O)N([C@H]2CCc3c2cccc3O)c2nc(Nc3ccccc3)ncc12 |r|

BDBM50234990

CN(C)CCn1cc(cn1)-c1ccn2c(cnc2c1)-c1ccc(C(N)=O)c(OCc2cccc(F)c2)c1

BDBM50235816

CC1(C)OCC(=O)Nc2cc(Nc3nc(NCC(F)(F)F)c4occc4n3)ccc12

BDBM50235820

FC(F)(F)CNc1nc(Nc2ccc3cn[nH]c3c2)nc2ccoc12

BDBM50235833

Cc1c2ccc(cc2[nH]n1)Nc3nc4ccoc4c(n3)NC5CC5

BDBM50235817

FC(F)(F)CNc1nc(Nc2ccc(N3CCOCC3)c(Cl)c2)nc2ccoc12

BDBM50235830

CCCNC(=O)c1ccc(Nc2nc(NCC(F)(F)F)c3cc[nH]c3n2)cc1

BDBM50237288

COCCn1cc(NC(=O)c2csc(n2)-c2nncn2C(C)C)cn1

BDBM50237672

COC(=O)C1=C(Nc2ccccc2Cl)O\C(=C/c2c[nH]c3ncccc23)C1=O |c:4|

BDBM50238867

C[C@@H](c1ccc(F)cc1)n1nnc2cnc3ccc(cc3c12)-c1ccc2ocnc2c1 |r|

BDBM50238990

CCOc1cc(\C=C2/Oc3ccc(OC)cc3C2=O)ccc1O

BDBM50238989

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

BDBM50580

Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(O)c(O)c1