SMILES for Kallikrein-7

CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nc2ccccc2nc1-n1ccc(cc1)=NC(=O)c1ccccc1 |(9.75,-10.01,;9.75,-8.47,;8.41,-7.7,;11.08,-7.7,;11.08,-6.16,;9.75,-5.39,;9.75,-3.85,;11.08,-3.08,;12.42,-3.85,;12.42,-5.39,;11.08,-1.54,;9.54,-1.54,;12.62,-1.54,;11.08,,;12.42,.77,;13.75,,;15.08,.77,;16.46,-.05,;17.86,.74,;17.86,2.34,;16.46,3.13,;15.08,2.31,;13.75,3.08,;12.42,2.31,;11.08,3.08,;9.75,2.31,;8.41,3.08,;8.41,4.62,;9.75,5.39,;11.08,4.62,;7.08,5.39,;7.08,6.93,;8.41,7.7,;5.75,7.7,;5.75,9.24,;4.41,10.01,;3.08,9.24,;3.08,7.7,;4.41,6.93,)|

BDBM100024

CC(=O)Nc1ccc2nc([nH]c2c1)-c1cccs1

BDBM100138

CC(=O)c1cc2OCOc2cc1NS(=O)(=O)c1ccccc1Br

BDBM50446226

CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)O[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1 |r|

BDBM50446218

CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)O[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1 |r|

BDBM50446211

CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)N[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1 |r|

BDBM50446219

CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)O[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1 |r|

BDBM50446216

CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)C(=O)N[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1 |r|

BDBM50446224

CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)C(=O)O[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1 |r|

BDBM50446214

CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1 |r|

BDBM50446222

CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1 |r|

BDBM336206

CC(C)C(OC(=O)C(NC(=O)c1ccccc1)c1ccccc1)C(=O)Nc1cc(C)on1

BDBM336227

CC(C)C(OC(=O)C(NC(=O)c1ccccc1)c1ccccc1)C(=O)Nc1ccc(F)cc1

BDBM336224

CC(C)C(OC(=O)C(NC(=O)c1ccccc1)c1ccccc1)C(=O)Nc1ccccc1

BDBM336210

CC(C)C(OC(=O)C(c1ccccc1)c1ccccc1)C(=O)Nc1cc(C)on1

BDBM336203

CC(C)C(OC(=O)CCC1CCCC1)C(=O)Nc1cc(C)on1

BDBM336201

CC(C)C(OC(=O)Cc1ccc(Cl)cc1)C(=O)Nc1cc(C)on1

BDBM336222

CC(C)C(OC(=O)Cc1ccc(Cl)cc1)C(=O)Nc1ccccc1

BDBM50518305

CC(C)C1=NC(CN1)c1cn(c2ccccc12)S(=O)(=O)c1ccc(C)cc1 |t:3|

BDBM50598304

CC(C)C[C@@H]1NC(=O)[C@@H](N)CSCc2cccc(CSC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc3ccc(O)cc3)NC1=O)C(=O)N[C@@H](CO)C(O)=O)n2 |r|

BDBM50598307

CC(C)C[C@@H]1NC(=O)[C@H](CSCC(=O)CSC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@@H](CO)C(O)=O)NC(=O)[C@@H]1CCCN1 |r|

BDBM50598302

CC(C)C[C@@H]1NC(=O)[C@H](CSCc2cccc(CSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc3ccc(O)cc3)NC1=O)[C@@H](C)O)C(=O)N[C@@H](CO)C(O)=O)n2)NC(=O)[C@@H]1CCCN1 |r|

BDBM50598301

CC(C)C[C@@H]1NC(=O)[C@H](CSCc2cccc(CSC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc3ccc(O)cc3)NC1=O)C(=O)N[C@@H](CO)C(O)=O)n2)NC(=O)[C@@H]1CCCN1 |r|

BDBM50598305

CC(C)C[C@@H]1NC(=O)[C@H](CSCc2cccc(CSC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc3ccc(O)cc3)NC1=O)C(O)=O)n2)NC(=O)[C@@H]1CCCN1 |r|

BDBM50598303

CC(C)C[C@@H]1NC(=O)[C@H](CSCc2cccc(CSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc3ccc(O)cc3)NC1=O)C(=O)N1CCC[C@H]1C(C)=O)n2)NC(=O)[C@@H]1CCCN1 |r|

BDBM50598296

CC(C)C[C@@H]1NC(=O)[C@H](CSCc2cccc(CSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc3ccc(O)cc3)NC1=O)C(=O)N[C@@H](CO)C(O)=O)n2)NC(=O)[C@@H](N)CCC(N)=O |r|

BDBM50598295

CC(C)C[C@@H]1NC(=O)[C@H](CSCc2cccc(CSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc3ccc(O)cc3)NC1=O)C(=O)N[C@@H](CO)C(O)=O)n2)NC(=O)[C@@H]1CCCN1 |r|

BDBM50598298

CC(C)C[C@@H]1NC(=O)[C@H](CSCc2cccc(CSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc3ccccc3)NC1=O)C(=O)N[C@@H](CO)C(O)=O)n2)NC(=O)[C@@H]1CCCN1 |r|

BDBM50598299

CC(C)C[C@@H]1NC(=O)[C@H](CSCc2cccc(CSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc3ccc(O)cc3)NC1=O)C(=O)N[C@@H](CO)C(O)=O)n2)NC(=O)[C@@H]1CCCN1 |r|

BDBM50598300

CC(C)C[C@@H]1NC(=O)[C@H](CSCc2cccc(CSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc3ccc(O)cc3)NC1=O)C(=O)N[C@@H](CO)C(O)=O)n2)NC(=O)[C@@H]1CCCN1 |r|

BDBM50598308

CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CSCC(=O)CSC[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC1=O)C(=O)N[C@@H](CO)C(O)=O)NC(=O)[C@@H]1CCCN1 |r|

BDBM50598309

CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CSCC(=O)CSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC1=O)C(=O)N[C@@H](CO)C(O)=O)NC(=O)[C@@H]1CCCN1 |r|

BDBM50598310

CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CSCC(=O)CSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC1=O)C(O)=O)NC(=O)[C@@H]1CCCN1 |r|

BDBM50598297

CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CSCc2cccc(CSC[C@H](NC(=O)[C@H](CO)NC1=O)C(=O)N[C@@H](CO)C(O)=O)n2)NC(=O)[C@@H](N)CCCNC(N)=N |r|

BDBM100109

CC(C)C[C@H](NC(=O)COc1cc2OC(C)(C)CCc2c2oc(=O)c(C)c(C)c12)C(O)=O

BDBM100175

CC(C)Nc1nc(-c2ccccc2CO)c2sccc2n1

BDBM100067

CC(C)OCCCNC(=S)Nc1ccc2nc(cc(C)c2c1)N1CCCC1

BDBM82911

CC(C)OCCOc1ccc2oc(cc(=O)c2c1)-c1ccco1

BDBM50446217

CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1 |r|

BDBM50446225

CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)O[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1 |r|

BDBM50446229

CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1 |r|

BDBM113294

CC(C)c1ccc(-c2nc3cc4OCCCOc4cc3c(=O)o2)c(c1)C(C)C

BDBM336214

CC(OC(=O)C(NC(=O)c1ccccc1)c1ccccc1)C(=O)NCc1ccccc1

BDBM336183

CC(OC(=O)C(NC(=O)c1ccccc1)c1ccccc1)C(=O)Nc1cc(C)on1

BDBM336197

CC(OC(=O)C(NC(=O)c1ccccc1)c1ccccc1)C(=O)Nc1ccccc1

BDBM336178

CC(OC(=O)C(c1ccccc1)c1ccccc1)C(=O)Nc1cc(C)on1

BDBM336194

CC(OC(=O)C(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(F)cc1

BDBM336184

CC(OC(=O)C(c1ccccc1)c1ccccc1)C(=O)Nc1ccccc1

BDBM336145

CC(OC(=O)CCC1CCCC1)C(=O)Nc1cc(C)on1

BDBM336153

CC(OC(=O)CCC1CCCC1)C(=O)Nc1ccc(F)cc1

BDBM336137

CC(OC(=O)CCC1CCCC1)C(=O)Nc1ccccc1

BDBM336124

CC(OC(=O)Cc1ccc(Cl)cc1)C(=O)Nc1cc(C)on1

BDBM336128

CC(OC(=O)Cc1ccc(Cl)cc1)C(=O)Nc1ccc(F)cc1

BDBM336132

CC(OC(=O)Cc1ccc(Cl)cc1)C(=O)Nc1ccccc1

BDBM100191

CC(c1nc2ccccc2[nH]1)n1c2ccccc2nc(-c2cccs2)c1=O

BDBM100093

CC1(C)CC(=O)C2=C(C1)c1c(NC2c2ccc(OCC(O)=O)cc2)ccc2ccccc12 |c:6|

BDBM50518313

CC1=NC(CN1)c1cn(Cc2ccc(Cl)cc2)c2ccccc12 |t:1|

BDBM50518295

CC1=NC(CN1)c1cn(c2ccc(Br)cc12)S(=O)(=O)c1ccc(Cl)cc1 |t:1|

BDBM50518294

CC1=NC(CN1)c1cn(c2ccc(C)cc12)S(=O)(=O)c1c(Cl)cccc1Cl |t:1|

BDBM50518298

CC1=NC(CN1)c1cn(c2ccc(C)cc12)S(=O)(=O)c1ccc(Cl)cc1 |t:1|

BDBM50518302

CC1=NC(CN1)c1cn(c2ccc(C)cc12)S(=O)(=O)c1ccc(F)cc1 |t:1|

BDBM50518301

CC1=NC(CN1)c1cn(c2ccc(C)cc12)S(=O)(=O)c1cccc(Cl)c1 |t:1|

BDBM50518297

CC1=NC(CN1)c1cn(c2ccc(C)cc12)S(=O)(=O)c1ccccc1 |t:1|

BDBM50518308

CC1=NC(CN1)c1cn(c2ccc(C)cc12)S(=O)(=O)c1ccccc1Br |t:1|

BDBM50518299

CC1=NC(CN1)c1cn(c2ccc(C)cc12)S(=O)(=O)c1ccccc1C |t:1|

BDBM50518309

CC1=NC(CN1)c1cn(c2ccc(C)cc12)S(=O)(=O)c1ccccc1C#N |t:1|

BDBM50518307

CC1=NC(CN1)c1cn(c2ccc(C)cc12)S(=O)(=O)c1ccccc1Cl |t:1|

BDBM50518300

CC1=NC(CN1)c1cn(c2ccc(C)cc12)S(=O)(=O)c1ccccc1F |t:1|

BDBM50518312

CC1=NC(CN1)c1cn(c2ccc(C)cc12)S(=O)(=O)c1cccs1 |t:1|

BDBM50518310

CC1=NC(CN1)c1cn(c2ccccc12)S(=O)(=O)c1ccc(C)cc1 |t:1|

BDBM50518314

CC1=NC(CN1)c1cn(c2ccccc12)S(=O)(=O)c1ccc(Cl)cc1 |t:1|

BDBM50518306

CC1=NC(CN1)c1cn(c2ccccc12)S(=O)(=O)c1cccc(Cl)c1 |t:1|

BDBM50518304

CC1=NC(CN1)c1cn(c2ccccc12)S(C)(=O)=O |t:1|

BDBM51592

CC1=NC2=C(C(C1C#N)c1cccnc1)C(=O)CC(C)(C)C2 |c:3,t:1|

BDBM100122

CC1CC(C)CN(C1)C(=O)c1cc2c(nc3ccccn3c2=O)s1

BDBM100065

CC1Nc2ccccc2C(=O)N1NS(C)(=O)=O

BDBM100119

CCC(=O)N1CCc2cc(ccc12)-c1csc(NC(=O)c2ccco2)n1

BDBM100046

CCC(C)C(NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c3CCCc3c(=O)oc2c1

BDBM100114

CCC(C)NC(=O)c1cc2c(nc3c(C)cccn3c2=O)s1

BDBM100173

CCC(CC)CC1CN2CCc3cc(OC)c(OC)cc3C2CC1(O)CC

BDBM100145

CCC(NC(=O)CCc1c(C)c2cc3c(C)c(C)oc3cc2oc1=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O

BDBM100110

CCC(NC(=O)Cc1c(C)c2c3oc(C)c(C)c3c(C)cc2oc1=O)C(O)=O

BDBM336220

CCC(OC(=O)C(CC(C)C)NC(=O)c1ccccc1)C(=O)Nc1cc(C)on1

BDBM336213

CCC(OC(=O)C(CCSC)NC(=O)c1ccccc1)C(=O)Nc1cc(C)on1

BDBM336176

CCC(OC(=O)C(NC(=O)c1ccccc1)c1ccccc1)C(=O)Nc1cc(C)on1

BDBM336196

CCC(OC(=O)C(NC(=O)c1ccccc1)c1ccccc1)C(=O)Nc1ccc(F)cc1

BDBM336195

CCC(OC(=O)C(NC(=O)c1ccccc1)c1ccccc1)C(=O)Nc1ccc(OC)cc1

BDBM336164

CCC(OC(=O)C(c1ccccc1)c1ccccc1)C(=O)Nc1cc(C)on1

BDBM336175

CCC(OC(=O)C(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(F)cc1

BDBM336174

CCC(OC(=O)C(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(OC)cc1

BDBM336179

CCC(OC(=O)C(c1ccccc1)c1ccccc1)C(=O)Nc1ccccc1

BDBM336147

CCC(OC(=O)CCC1CCCC1)C(=O)Nc1cc(C)on1

BDBM336156

CCC(OC(=O)CCC1CCCC1)C(=O)Nc1ccc(F)cc1

BDBM336138

CCC(OC(=O)CCC1CCCC1)C(=O)Nc1ccc(OC)cc1

BDBM336170

CCC(OC(=O)Cc1ccc(Cl)c(Cl)c1)C(=O)Nc1cc(C)on1

BDBM336129

CCC(OC(=O)Cc1ccc(Cl)cc1)C(=O)Nc1cc(C)on1

BDBM336135

CCC(OC(=O)Cc1ccc(Cl)cc1)C(=O)Nc1ccc(F)cc1

BDBM336133

CCC(OC(=O)Cc1ccc(Cl)cc1)C(=O)Nc1ccc(OC)cc1

BDBM336136

CCC(OC(=O)Cc1ccc(Cl)cc1)C(=O)Nc1ccccc1

BDBM336172

CCC(OC(=O)Cc1ccc(OC)c(OC)c1)C(=O)Nc1cc(C)on1

BDBM336142

CCC(OC(=O)Cc1ccc(OC)cc1)C(=O)Nc1cc(C)on1

BDBM336161

CCC(OC(=O)Cc1ccc(OC)cc1)C(=O)Nc1ccc(F)cc1

BDBM336155

CCC(OC(=O)Cc1ccc(OC)cc1)C(=O)Nc1ccc(OC)cc1

BDBM336165

CCC(OC(=O)Cc1ccc(OC)cc1)C(=O)Nc1ccccc1

BDBM336157

CCC(OC(=O)Cc1ccc2OCOc2c1)C(=O)Nc1cc(C)on1

BDBM50518311

CCC1=NC(CN1)c1cn(c2ccccc12)S(=O)(=O)c1ccc(C)cc1 |t:2|

BDBM100098

CCC1CCCCN1Cc1c(O)ccc2c1occ(-c1ccccc1)c2=O

BDBM100040

CCCC(=O)Nc1c(-c2ccc(OC)cc2)c(=O)c2ccccc2n1C

BDBM100094

CCCC(=O)Nc1ccc2nn(nc2c1)-c1ccc(OC)cc1

BDBM50505093

CCCC(C)C(\O)=C1\C(=O)[C@H](Cc2ccccc2)N(C(=O)OC(C)(C)C)C1=O |r|

BDBM336149

CCCC(OC(=O)C(c1ccccc1)c1ccccc1)C(=O)Nc1cc(C)on1

BDBM336158

CCCCC(OC(=O)C(c1ccccc1)c1ccccc1)C(=O)Nc1cc(C)on1

BDBM50266979

CCCCC1NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H]3CCCN3C(=O)[C@@H]3CCCN3C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc3ccccc3)NC1=O)[C@@H](C)CC)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N2 |r|

BDBM50266984

CCCCC1NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H]3CCCN3C(=O)[C@@H]3CCCN3C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc3ccc(NC(N)=N)cc3)NC1=O)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N2 |r|

BDBM50266989

CCCCC1NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H]3CCCN3C(=O)[C@@H]3CCCN3C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc3ccccc3)NC1=O)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N2 |r|

BDBM50598287

CCCCCCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(O)=O)NC(=O)COCCOCCNC(=O)c1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(O)=O)C(=O)NCCOCCOCC(=O)N1CCC[C@H]1C(=O)N[C@H]1CSCC(=O)CSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](CO)C(N)=O |r,wU:35.35,22.21,103.108,154.161,165.172,170.177,178.185,190.198,47.48,201.210,wD:137.144,150.156,141.148,115.121,94.99,26.26,(-13.96,15.01,;-13.96,13.47,;-12.63,12.7,;-12.63,11.16,;-11.29,10.39,;-11.29,8.85,;-9.96,8.08,;-9.96,6.54,;-8.62,5.77,;-8.62,4.23,;-7.29,3.46,;-7.29,1.92,;-5.96,1.15,;-5.96,-.38,;-4.62,-1.15,;-4.62,-2.69,;-3.29,-3.46,;-5.96,-3.46,;-5.96,-5,;-7.29,-5.77,;-7.29,-7.31,;-5.96,-8.08,;-5.96,-9.62,;-7.29,-10.39,;-8.62,-9.62,;-8.62,-8.08,;-9.96,-10.39,;-9.96,-11.93,;-8.62,-12.7,;-8.62,-14.24,;-7.29,-15.01,;-9.96,-15.01,;-11.29,-9.62,;-12.63,-10.39,;-12.63,-11.93,;-13.96,-9.62,;-13.96,-8.08,;-12.63,-7.31,;-12.63,-5.77,;-11.29,-5.01,;-9.96,-5.78,;-8.63,-5.01,;-9.96,-7.31,;-11.29,-8.09,;-15.29,-10.39,;-16.63,-9.62,;-16.63,-8.08,;-17.96,-10.39,;-19.29,-9.62,;-19.29,-8.08,;-20.63,-7.31,;-20.63,-5.77,;-21.96,-8.08,;-17.96,-11.93,;-19.29,-12.7,;-19.29,-14.24,;-20.63,-11.93,;-21.96,-12.7,;-23.29,-11.93,;-24.63,-12.7,;-25.96,-11.93,;-27.3,-12.7,;-28.63,-11.93,;-29.96,-12.7,;-31.3,-11.93,;-32.63,-12.7,;-31.3,-10.39,;-32.63,-9.62,;-32.63,-8.09,;-31.3,-7.32,;-29.97,-8.08,;-29.97,-9.62,;-28.48,-7.68,;-27.39,-8.77,;-28.08,-6.2,;-31.3,-5.78,;-32.63,-5.01,;-33.96,-5.77,;-35.29,-5,;-35.29,-3.48,;-36.62,-2.71,;-33.96,-2.7,;-32.63,-3.47,;-31.29,-2.7,;-29.96,-3.47,;-28.64,-2.69,;-27.3,-3.45,;-25.97,-2.68,;-27.3,-4.99,;-28.61,-5.77,;-29.96,-5.01,;-4.62,-10.39,;-4.62,-11.93,;-3.29,-9.62,;-1.96,-10.39,;-1.96,-11.93,;-.62,-12.7,;-.62,-14.24,;.71,-15.01,;-1.96,-15.01,;-.62,-9.62,;-.62,-8.08,;.71,-10.39,;2.04,-9.62,;2.04,-8.08,;3.38,-7.31,;3.38,-5.77,;4.71,-5.01,;6.04,-5.78,;7.38,-5.01,;6.04,-7.31,;4.72,-8.09,;3.38,-10.39,;3.38,-11.93,;4.71,-9.62,;6.05,-10.39,;6.05,-11.93,;7.38,-12.7,;7.38,-14.24,;8.71,-15.01,;6.05,-15.01,;7.38,-9.62,;7.38,-8.08,;8.71,-10.39,;10.05,-9.62,;11.38,-10.39,;12.71,-9.62,;14.05,-10.39,;15.38,-9.62,;16.93,-10.49,;18.27,-9.72,;19.6,-10.49,;19.6,-12.04,;20.71,-10.07,;21.18,-11.54,;22.72,-11.54,;23.2,-10.07,;21.95,-9.17,;21.95,-7.63,;20.62,-6.86,;23.29,-6.86,;23.29,-5.32,;24.62,-4.55,;25.95,-5.32,;25.95,-6.86,;27.29,-7.63,;27.29,-9.17,;28.62,-6.86,;28.62,-5.32,;29.95,-4.55,;29.95,-3.01,;28.62,-2.24,;28.62,-.7,;27.29,.07,;30.11,.08,;31.6,.48,;32,1.96,;33.49,2.36,;33.89,3.85,;35.37,4.25,;35.77,5.74,;36.46,3.16,;29.95,1.61,;28.62,2.38,;27.29,1.61,;28.62,3.92,;29.95,4.69,;27.29,4.69,;25.95,3.92,;25.95,2.38,;24.62,4.69,;24.62,6.23,;25.95,7,;25.95,8.54,;27.29,6.23,;23.29,3.92,;23.29,2.38,;24.62,1.61,;21.95,1.61,;20.62,2.38,;20.62,3.92,;21.96,4.69,;21.96,6.23,;20.62,7,;20.62,8.54,;19.29,6.23,;19.29,4.69,;21.95,.07,;20.62,-.7,;19.28,.07,;20.62,-2.24,;19.28,-3.01,;17.95,-2.24,;17.95,-.7,;16.62,-3.01,;21.95,-3.01,;21.95,-4.55,;20.62,-5.32,;31.29,-2.24,;31.29,-.7,;32.62,-3.01,;33.95,-2.24,;33.95,-.7,;35.29,.07,;35.29,-3.01,;36.62,-2.24,;35.29,-4.55,)|

BDBM50598266

CCCCCCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(O)=O)NC(=O)COCCOCCNC(=O)c1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(O)=O)C(=O)NCCOCCOCC(=O)NCCCC[C@H](NC(=O)CNC(=O)[C@@H]1CSCC(=O)CSC[C@H](NC(=O)CN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)NCC(N)=O |r,wU:103.108,22.21,35.35,164.169,206.214,191.197,182.188,171.177,165.172,wD:138.143,115.121,47.48,26.26,94.99,146.152,155.160,(-10,15.01,;-10,13.47,;-8.67,12.71,;-8.67,11.17,;-7.34,10.39,;-7.34,8.85,;-6,8.09,;-6,6.54,;-4.67,5.77,;-4.67,4.23,;-3.33,3.46,;-3.33,1.92,;-2,1.15,;-2,-.38,;-.67,-1.15,;-.67,-2.69,;-2,-3.46,;.67,-3.46,;.67,-5,;2,-5.77,;2,-7.31,;3.33,-8.09,;3.33,-9.63,;2,-10.39,;.67,-9.63,;.67,-8.09,;-.67,-10.39,;-.67,-11.93,;.67,-12.71,;.67,-14.25,;2,-15.01,;-.67,-15.01,;-2,-9.63,;-3.33,-10.39,;-3.33,-11.93,;-4.67,-9.63,;-4.67,-8.09,;-6,-7.31,;-7.34,-8.08,;-8.66,-7.31,;-8.66,-5.77,;-10,-5.01,;-7.34,-5.01,;-6,-5.77,;-6,-10.39,;-7.34,-9.63,;-6.57,-8.29,;-8.67,-10.39,;-8.67,-11.93,;-7.34,-12.71,;-7.34,-14.25,;-6,-15.01,;-8.67,-15.01,;-10,-9.63,;-11.34,-10.39,;-11.34,-11.93,;-12.67,-9.63,;-14,-10.39,;-15.34,-9.63,;-16.67,-10.39,;-18.01,-9.63,;-19.34,-10.39,;-20.67,-9.63,;-22.01,-10.39,;-23.34,-9.63,;-24.68,-10.39,;-23.34,-8.09,;-24.67,-7.31,;-24.67,-5.78,;-23.34,-5.01,;-22.01,-5.77,;-22.01,-7.31,;-20.52,-5.37,;-19.43,-6.46,;-20.12,-3.89,;-23.34,-3.47,;-24.67,-2.7,;-26,-3.47,;-27.34,-2.69,;-27.34,-1.16,;-28.67,-.39,;-26.01,-.39,;-24.67,-1.16,;-23.34,-.39,;-22.01,-1.16,;-20.67,-.39,;-19.34,-1.16,;-18.01,-.39,;-19.34,-2.69,;-20.67,-3.47,;-22.01,-2.7,;4.67,-10.39,;4.67,-11.93,;6,-9.63,;7.33,-10.39,;7.33,-11.93,;8.67,-12.71,;8.67,-14.25,;10,-15.01,;7.33,-15.01,;8.67,-9.63,;8.67,-8.09,;10,-10.39,;11.34,-9.63,;11.34,-8.09,;12.67,-7.31,;12.67,-5.77,;14,-5.01,;15.33,-5.78,;16.67,-5.01,;15.33,-7.31,;14.01,-8.09,;12.67,-10.39,;12.67,-11.93,;14,-9.63,;15.34,-10.39,;15.34,-11.93,;16.67,-12.71,;16.67,-14.25,;15.34,-15.01,;18,-15.01,;16.67,-9.63,;18,-10.39,;16.67,-8.09,;18,-7.31,;19.34,-8.09,;20.67,-7.31,;22.01,-8.09,;23.34,-7.31,;24.67,-8.09,;26.01,-7.31,;26.01,-5.77,;27.34,-5,;24.67,-5,;24.67,-3.46,;23.34,-2.69,;23.34,-1.15,;22.01,-.38,;22.01,1.15,;20.67,1.92,;19.34,1.15,;19.34,-.38,;18,1.92,;16.67,1.15,;15.34,1.92,;15.34,3.46,;14,1.15,;14,-.38,;12.67,-1.15,;12.67,-2.69,;11.34,-3.46,;11.34,-5,;10,-2.69,;10,-1.15,;8.67,-.38,;7.33,-1.15,;7.33,-2.69,;6,-3.46,;4.67,-2.69,;6,-5,;4.67,-5.77,;6,-.38,;4.67,-1.15,;6,1.15,;4.67,1.92,;3.33,1.15,;3.33,-.38,;2,1.92,;4.67,3.46,;3.33,4.23,;6,4.23,;6,5.77,;4.67,6.54,;4.67,8.09,;3.33,8.85,;3.33,10.39,;2,11.17,;2,12.71,;.67,10.39,;7.33,6.54,;8.67,5.77,;7.33,8.09,;8.67,8.85,;8.67,10.39,;10,11.17,;10,12.71,;8.67,13.47,;11.34,13.47,;10,8.09,;10,6.54,;11.34,8.85,;12.67,8.09,;14,8.85,;14,10.39,;12.67,11.17,;12.67,12.7,;14.01,13.47,;14.01,15.01,;15.33,12.71,;15.33,11.17,;12.67,6.54,;11.34,5.77,;14,5.77,;15.41,6.4,;16.44,5.26,;15.67,3.92,;14.16,4.24,;12.78,3.42,;11.46,4.21,;12.78,1.88,;23.34,1.92,;23.34,3.46,;24.67,1.15,;26.01,1.92,;27.34,1.15,;28.67,1.92,;27.34,-.38,)|

BDBM50598288

CCCCCCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(O)=O)NC(=O)COCCOCCNC(=O)c1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(O)=O)C(=O)NCCOCCOCC(=O)NCCCC[C@H](NC(=O)CNC(=O)[C@@H]1CSCC(=O)CSC[C@H](NC(=O)[C@@H]2CCCN2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(=O)NCC(N)=O |r,wU:200.208,195.203,187.195,175.182,167.174,159.164,103.108,22.21,35.35,wD:155.160,146.152,138.143,115.121,47.48,26.26,94.99,(-10,15.01,;-10,13.48,;-8.67,12.71,;-8.67,11.17,;-7.34,10.4,;-7.34,8.86,;-6,8.09,;-6,6.54,;-4.67,5.78,;-4.67,4.24,;-3.33,3.46,;-3.33,1.92,;-2,1.16,;-2,-.38,;-.67,-1.15,;-.67,-2.69,;-2,-3.46,;.67,-3.46,;.67,-5,;2,-5.78,;2,-7.31,;3.33,-8.09,;3.33,-9.63,;2,-10.4,;.67,-9.63,;.67,-8.09,;-.67,-10.4,;-.67,-11.94,;.67,-12.71,;.67,-14.25,;2,-15.01,;-.67,-15.01,;-2,-9.63,;-3.33,-10.4,;-3.33,-11.94,;-4.67,-9.63,;-4.67,-8.09,;-6,-7.31,;-6,-5.77,;-7.34,-5.01,;-8.67,-5.78,;-10,-5.01,;-8.67,-7.32,;-7.34,-8.08,;-6,-10.4,;-7.34,-9.63,;-6.57,-8.29,;-8.67,-10.4,;-8.67,-11.94,;-7.34,-12.71,;-7.34,-14.25,;-6,-15.01,;-8.67,-15.01,;-10,-9.63,;-11.34,-10.4,;-11.34,-11.94,;-12.67,-9.63,;-14,-10.4,;-15.34,-9.63,;-16.67,-10.4,;-18.01,-9.63,;-19.34,-10.4,;-20.67,-9.63,;-22.01,-10.4,;-23.34,-9.63,;-24.67,-10.4,;-23.34,-8.09,;-24.67,-7.31,;-24.67,-5.78,;-23.34,-5.01,;-22.01,-5.77,;-22.01,-7.31,;-20.52,-5.37,;-19.43,-6.46,;-20.12,-3.89,;-23.34,-3.47,;-24.67,-2.7,;-26,-3.47,;-27.34,-2.7,;-27.34,-1.16,;-28.67,-.39,;-26.01,-.39,;-24.67,-1.16,;-23.34,-.39,;-22,-1.16,;-20.67,-.39,;-19.34,-1.16,;-18.01,-.39,;-19.34,-2.69,;-20.67,-3.47,;-22,-2.7,;4.67,-10.4,;4.67,-11.94,;6,-9.63,;7.33,-10.4,;7.33,-11.94,;8.67,-12.71,;8.67,-14.25,;10,-15.01,;7.33,-15.01,;8.67,-9.63,;8.67,-8.09,;10,-10.4,;11.34,-9.63,;11.34,-8.09,;12.67,-7.31,;12.67,-5.77,;14,-5.01,;15.33,-5.78,;16.67,-5.01,;15.33,-7.31,;14.01,-8.09,;12.67,-10.4,;12.67,-11.94,;14,-9.63,;15.34,-10.4,;15.34,-11.94,;16.67,-12.71,;16.67,-14.25,;15.34,-15.01,;18,-15.01,;16.67,-9.63,;18,-10.4,;16.67,-8.09,;18,-7.31,;19.34,-8.09,;20.67,-7.31,;22.01,-8.09,;23.34,-7.31,;24.67,-8.09,;26.01,-7.31,;26.01,-5.78,;27.34,-5,;24.67,-5,;24.67,-3.46,;23.34,-2.69,;23.34,-1.15,;22.01,-.38,;22.01,1.16,;20.67,1.92,;19.34,1.16,;19.34,-.38,;18,1.92,;16.67,1.16,;15.34,1.92,;15.34,3.46,;14,1.16,;14,-.38,;12.67,-1.15,;12.67,-2.69,;11.34,-3.46,;11.34,-5,;10,-2.69,;10,-1.15,;8.67,-.38,;7.33,-1.15,;7.33,-2.69,;6,-3.46,;4.67,-2.69,;6,-5,;4.76,-5.91,;5.23,-7.37,;6.77,-7.37,;7.25,-5.91,;6,-.38,;4.67,-1.15,;6,1.16,;4.67,1.92,;3.33,1.16,;2,1.92,;2,3.46,;.67,1.16,;4.67,3.46,;3.33,4.24,;6,4.24,;6,5.78,;4.67,6.54,;4.67,8.09,;6.01,8.86,;6.01,10.4,;4.67,11.16,;4.67,12.7,;3.33,10.39,;3.33,8.86,;7.33,6.54,;8.67,5.78,;7.33,8.09,;8.67,8.86,;8.67,10.4,;10,11.17,;10,12.71,;11.34,10.39,;10,8.09,;10,6.54,;11.34,8.86,;12.67,8.09,;14,8.86,;12.67,6.54,;11.34,5.78,;14,5.78,;14.16,4.24,;15.65,4.64,;16.05,6.13,;17.54,6.53,;17.94,8.02,;19.42,8.41,;19.82,9.9,;20.51,7.33,;12.67,3.46,;11.34,4.24,;12.67,1.92,;23.34,1.92,;23.34,3.46,;24.67,1.16,;26.01,1.92,;27.34,1.16,;28.67,1.92,;27.34,-.38,)|

BDBM50598311

CCCCCCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(O)=O)NC(=O)COCCOCCNC(=O)c1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(O)=O)C(=O)NCCOCCOCC(=O)NCCCC[C@H](NC(=O)CNC(=O)[C@@H]1CSCC(=O)CSC[C@H](NC(=O)[C@@H]2CCCN2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(=O)NCC(N)=O |r,wU:200.208,195.203,187.195,175.182,167.174,159.164,103.108,22.21,35.35,wD:155.161,146.151,138.143,115.121,47.48,26.26,94.99,(-10,15.01,;-10,13.48,;-8.67,12.7,;-8.67,11.16,;-7.34,10.39,;-7.34,8.85,;-6,8.08,;-6,6.54,;-4.67,5.77,;-4.67,4.23,;-3.33,3.46,;-3.33,1.92,;-2,1.15,;-2,-.38,;-.67,-1.15,;-.67,-2.69,;-2,-3.46,;.67,-3.46,;.67,-5,;2,-5.77,;2,-7.31,;3.33,-8.08,;3.33,-9.62,;2,-10.39,;.67,-9.62,;.67,-8.08,;-.67,-10.39,;-.67,-11.93,;.67,-12.7,;.67,-14.24,;2,-15.01,;-.67,-15.01,;-2,-9.62,;-3.33,-10.39,;-3.33,-11.93,;-4.67,-9.62,;-4.67,-8.08,;-6,-7.31,;-6,-5.77,;-7.34,-5.01,;-8.67,-5.78,;-10,-5.01,;-8.67,-7.32,;-7.34,-8.08,;-6,-10.39,;-7.34,-9.62,;-6.57,-8.29,;-8.67,-10.39,;-8.67,-11.93,;-7.34,-12.7,;-7.34,-14.24,;-6,-15.01,;-8.67,-15.01,;-10,-9.62,;-11.34,-10.39,;-11.34,-11.93,;-12.67,-9.62,;-14,-10.39,;-15.34,-9.62,;-16.67,-10.39,;-18.01,-9.62,;-19.34,-10.39,;-20.67,-9.62,;-22.01,-10.39,;-23.34,-9.62,;-24.67,-10.39,;-23.34,-8.08,;-24.67,-7.31,;-24.67,-5.78,;-23.34,-5.01,;-22.01,-5.77,;-22.01,-7.31,;-20.52,-5.37,;-19.43,-6.46,;-20.12,-3.89,;-23.34,-3.47,;-24.67,-2.7,;-26,-3.47,;-27.34,-2.7,;-27.34,-1.16,;-28.67,-.39,;-26.01,-.39,;-24.67,-1.16,;-23.34,-.39,;-22,-1.16,;-20.67,-.39,;-19.34,-1.16,;-18.01,-.39,;-19.34,-2.69,;-20.67,-3.47,;-22,-2.7,;4.67,-10.39,;4.67,-11.93,;6,-9.62,;7.33,-10.39,;7.33,-11.93,;8.67,-12.7,;8.67,-14.24,;10,-15.01,;7.33,-15.01,;8.67,-9.62,;8.67,-8.08,;10,-10.39,;11.34,-9.62,;11.34,-8.08,;12.67,-7.31,;12.67,-5.77,;14,-5.01,;15.33,-5.78,;16.67,-5.01,;15.33,-7.31,;14.01,-8.09,;12.67,-10.39,;12.67,-11.93,;14,-9.62,;15.34,-10.39,;15.34,-11.93,;16.67,-12.7,;16.67,-14.24,;15.34,-15.01,;18,-15.01,;16.67,-9.62,;18,-10.39,;16.67,-8.08,;18,-7.31,;19.34,-8.08,;20.67,-7.31,;22,-8.08,;23.34,-7.31,;24.67,-8.08,;26.01,-7.31,;26.01,-5.77,;27.34,-5,;24.67,-5,;24.67,-3.46,;23.34,-2.69,;23.34,-1.15,;22,-.38,;22,1.15,;20.67,1.92,;19.34,1.15,;19.34,-.38,;18,1.92,;16.67,1.15,;15.34,1.92,;15.34,3.46,;14,1.15,;14,-.38,;12.67,-1.15,;12.67,-2.69,;11.34,-3.46,;11.34,-5,;10,-2.69,;10,-1.15,;8.67,-.38,;7.33,-1.15,;7.33,-2.69,;6,-3.46,;4.67,-2.69,;6,-5,;4.76,-5.91,;5.23,-7.37,;6.77,-7.37,;7.25,-5.91,;6,-.38,;4.67,-1.15,;6,1.15,;4.67,1.92,;3.33,1.15,;2,1.92,;2,3.46,;.67,1.15,;4.67,3.46,;3.33,4.23,;6,4.23,;6,5.77,;4.67,6.54,;4.67,8.08,;6.01,8.86,;6.01,10.4,;4.67,11.16,;4.67,12.7,;3.33,10.39,;3.33,8.86,;7.33,6.54,;8.67,5.77,;7.33,8.08,;8.67,8.85,;8.67,10.39,;10,11.16,;10,12.7,;11.34,13.48,;10,8.08,;10,6.54,;11.34,8.85,;12.67,8.08,;14,8.85,;12.67,6.54,;11.34,5.77,;14,5.77,;14.16,4.24,;15.65,4.64,;16.05,6.13,;17.54,6.53,;17.94,8.02,;19.42,8.41,;19.82,9.9,;20.51,7.33,;12.67,3.46,;11.34,4.23,;12.67,1.92,;23.34,1.92,;23.34,3.46,;24.67,1.15,;26.01,1.92,;27.34,1.15,;28.67,1.92,;27.34,-.38,)|

BDBM50505098

CCCCCCCCCCCCCCCCC\C(O)=C1\C(=O)[C@H](Cc2ccccc2)N(C(=O)OC(C)(C)C)C1=O |r|

BDBM50505094

CCCCCCCCCCCCCCC\C(O)=C1\C(=O)[C@H](Cc2ccccc2)N(C(=O)OC(C)(C)C)C1=O |r|

BDBM50505095

CCCCCCCCCCCCC\C(O)=C1\C(=O)[C@H](Cc2ccccc2)N(C(=O)OC(C)(C)C)C1=O |r|

BDBM50505096

CCCCCCCCCCC\C(O)=C1\C(=O)[C@H](Cc2ccccc2)N(C(=O)OC(C)(C)C)C1=O |r|

BDBM50505092

CCCCCCCC\C=C/CCCCCCC\C(O)=C1\C(=O)[C@H](Cc2ccccc2)N(C(=O)OC(C)(C)C)C1=O |r|

BDBM50505097

CCCCC\C=C/C\C=C/CCCCCCC\C(O)=C1\C(=O)[C@H](Cc2ccccc2)N(C(=O)OC(C)(C)C)C1=O |r|

BDBM100043

CCCCNC(=O)c1cc2c(nc3c(C)cccn3c2=O)n(Cc2cccnc2)c1=N

BDBM90096

CCCCOC(=O)Oc1ccc2c(c1)occ(Oc1cccc(C)c1)c2=O

BDBM50460876

CCCC[C@@H](N1C\C(NC[C@@H](Cc2cc(Cl)ccc2OC)C1=O)=N\N(C)C)C(=O)Nc1cccc(c1)-c1cnn(C)c1 |r|

BDBM50460884

CCCC[C@H](N1C\C(NC[C@@H](Cc2cc(Cl)ccc2OC)C1=O)=N\N(C)C)C(=O)Nc1cccc(c1)-c1cnn(C)c1 |r|

BDBM100146

CCCCc1cc(=O)oc2cc(C)cc(OCC(=O)N3CCC(CC3)C(O)=O)c12

BDBM100049

CCCOC(=O)Oc1ccc2c(c1)occ(Oc1cc(C)cc(C)c1)c2=O

BDBM50460880

CCC[C@@H](N1C\C(NC[C@@H](Cc2cc(Cl)ccc2OC)C1=O)=N\N(C)C)C(=O)Nc1cccc(c1)-c1cnn(C)c1 |r|

BDBM50460879

CCC[C@H](N1C\C(NC[C@@H](Cc2cc(Cl)ccc2OC)C1=O)=N\N(C)C)C(=O)Nc1cccc(c1)-c1cnn(C)c1 |r|

BDBM100092

CCCc1cc(NCCN(C)C)n2c(nc3ccccc23)c1C#N

BDBM100179

CCCc1cc(NCCOCCO)n2c3ccccc3nc2c1C#N

BDBM33200

CCN(CC)C(=O)COC(=O)c1cc(nc2ccccc12)-c1ccco1

BDBM54105

CCN(CC)CCCNc1oc(\C=C\c2ccccc2)nc1C#N

BDBM100042

CCN(CC)Cc1c(O)ccc2c1occ(Oc1ccccc1OC)c2=O

BDBM100084

CCN(CC)S(=O)(=O)c1cccc(c1)-c1cn2cccnc2n1

BDBM100070

CCN(CC)c1ccc2c(C)c(CO)c(=O)oc2c1

BDBM100003

CCN1C(c2ccccn2)n2c(nc3ccccc23)-c2ccccc12

BDBM100036

CCN1CCN(CC1)C(=O)COc1ccc2OC3(CCN(CC3)C(C)=O)CC(=O)c2c1

BDBM100112

CCN1CCN(CC1)c1cc(C)c2cc(NC(=O)c3ccc(C)c(C)c3)ccc2n1

BDBM52680

CCN1CCN(Cc2c3O\C(=C/c4ccc(C)cc4)C(=O)c3ccc2O)CC1

BDBM90971

CCN1CCSc2ccc(cc12)C(=O)NCc1ccccc1F

BDBM100106

CCNC(=O)C(=C\c1c(nc2ccccn2c1=O)N1CCN(CC1)c1ccccc1)\C#N

BDBM100056

CCNc1nc(C)c(CN(C(C)=O)c2ccccc2)nc1C#N

BDBM100018

CCOC(=O)C1CCN(CC1)S(=O)(=O)c1cccc(c1)-c1cn2cccnc2n1

BDBM100005

CCOC(=O)C1CCN(CC1)c1ncnc2c1[nH]c1cccc(OC)c21

BDBM100019

CCOC(=O)CC(=O)CSc1nc(C)cc(-c2cccnc2)c1C#N

BDBM100069

CCOC(=O)COc1cc(C)nc2nc(cn12)-c1ccccc1

BDBM100037

CCOC(=O)COc1ccc2OC3(CCCCC3)CC(=O)c2c1

BDBM100012

CCOC(=O)N1CCC2(CC1)CC(=O)c1c(O2)ccc2oc(C(O)=O)c(C)c12

BDBM100169

CCOC(=O)N1CCC2(CC1)NC(=O)c1ccccc1N2

BDBM100060

CCOC(=O)N1CCN(CC1)C(=O)COc1ccc2OC(C)(C)CC(=O)c2c1

BDBM100021

CCOC(=O)N1CCN(CC1)C(=O)c1ccc2nc3ccsc3c(=O)n2c1

BDBM51482

CCOC(=O)NC(=O)CSC1=NC(C)=C(C(C1C#N)c1cccnc1)C(=O)OCC=C |c:13,t:10|

BDBM51528

CCOC(=O)c1c(N)n(CCN2CCCCC2)c2nc3ccccc3nc12

BDBM100064

CCOC(=O)c1cc2c(nc3ccccn3c2=O)n(CC2CCCO2)\c1=N\C(=O)\C=C\c1ccccc1

BDBM100017

CCOC(=O)c1cnc2c(cccc2c1NCc1ccco1)C(=O)OC

BDBM100020

CCOC(=O)c1cnn2c(cc(nc12)-c1cn(C)nc1C)C(F)(F)F

BDBM42369

CCOCCCn1c2nc3c(C)cccn3c(=O)c2cc(C(=O)NCCN2CCOCC2)c1=N

BDBM100083

CCOCCCn1c2nc3c(C)cccn3c(=O)c2cc(C(=O)OCC)\c1=N/C(=O)c1ccco1

BDBM50452096

CCO\N=C1\CN(CC(=O)Nc2cccc(c2)C(O)=O)C(=O)[C@H](Cc2cc(Cl)ccc2OC)CN1 |r|

BDBM50444603

CCOc1cc(\C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1O

BDBM113067

CCOc1cc2c(cc1OC)nc(oc2=O)-c1ccc(OC)cc1OC

BDBM113065

CCOc1cc2c(cc1OC)nc(oc2=O)-c1ccccc1Cl

BDBM113069

CCOc1cc2c(cc1OC)nc(oc2=O)-c1ccccc1OC

BDBM113068

CCOc1cc2c(cc1OC)nc(oc2=O)-c1ccccc1S(C)(=O)=O

BDBM113060

CCOc1cc2c(cc1OC)nc(oc2=O)-c1ccccc1SC

BDBM100015

CCOc1ccc(cc1)-c1cc(C(=O)N2CCN(C)CC2)c2ccccc2n1

BDBM50444599

CCOc1cccc(NC(=O)C(=C/c2ccc(OCC(O)=O)c(OC)c2)\C#N)c1

BDBM50460878

CC[C@@H](N1C\C(NC[C@@H](Cc2cc(Cl)ccc2OC)C1=O)=N\N(C)C)C(=O)Nc1cccc(c1)-c1cnn(C)c1 |r|

BDBM50288833

CC[C@H](C)[C@@H](O)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)OC |r|

BDBM50288844

CC[C@H](C)[C@@H](OC(=O)\C=C\c1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)OC |r|

BDBM50513780

CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)[C@@H](C)O)[C@@H](C)CC |r|

BDBM50507483

CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H]4CCCN4C(=O)[C@@H]4CSSC[C@H](NC(=O)[C@H](Cc5ccc(O)cc5)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N4)NC(=O)[C@@H](NC3=O)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N2 |r|

BDBM50507482

CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H]4CCCN4C(=O)[C@@H]4CSSC[C@H](NC(=O)[C@H](Cc5ccc(O)cc5)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N4)NC(=O)[C@@H](NC3=O)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N2 |r|

BDBM50507481

CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H]4CCCN4C(=O)[C@@H]4CSSC[C@H](NC(=O)[C@H](Cc5ccc(O)cc5)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N4)NC(=O)[C@@H](NC3=O)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N2 |r|

BDBM50598290

CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CSCc2cccc(CSC[C@H](NC1=O)C(=O)N[C@@H](CO)C(N)=O)n2)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSCc2cccc(CSC[C@H](NC(=O)[C@@H](N)Cc3c[nH]cn3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)n2 |r|

BDBM50598293

CC[C@H](C)[C@@H]1NC(=O)[C@H](CSCC(=O)CSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)N[C@H](NC(=O)[C@@H](NC1=O)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H]([C@H](C)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@H]1CSCC(=O)CSC[C@H](NC1=O)C(=O)N[C@@H](CO)C(O)=O)NC(=O)[C@@H](N)CCC(N)=O |r|

BDBM50598291

CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CSCc2cccc(CSC[C@H](NC(=O)[C@H](C)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@H]1CSCc3cccc(CSC[C@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC1=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O)n3)n2)NC(=O)[C@@H](N)CCC(N)=O |r|

BDBM50460875

CC[C@H](N1C\C(NC[C@@H](Cc2cc(Cl)ccc2OC)C1=O)=N\N(C)C)C(=O)Nc1cccc(c1)-c1cnn(C)c1 |r|

BDBM336159

CC[C@H](OC(=O)C(c1ccccc1)c1ccccc1)C(=O)Nc1cc(C)on1 |r|

BDBM100162

CC[C@H]1[C@@H](N(N=C1c1ccc(F)cc1)c1ccccc1)C(=O)N1CCOC1=O |c:5|

BDBM50505099

CC\C(O)=C1\C(=O)[C@H](Cc2ccccc2)N(C(=O)OC(C)(C)C)C1=O |r|

BDBM100113

CCc1cc2c(CN3CCN(Cc4ccccc4)CC3)cc(=O)oc2cc1O

BDBM100163

CCc1ccccc1NC(=O)CSc1nc2nnc(C)c2c(N)n1-c1ccc(OC)cc1

BDBM81149

CN(C)C=Nc1ccc2nc3c(cc2c1)[nH]c1ccccc31 |w:4.4|

BDBM100095

CN(C)CCNS(=O)(=O)c1ccc2NC(=O)c3cccc1c23

BDBM50275973

CN(C)\N=C1\CN(CC(=O)Nc2cccc(c2)-c2cnn(C)c2)C(=O)C(Cc2c(C)cccc2C#N)CN1

BDBM50275980

CN(C)\N=C1\CN(CC(=O)Nc2cccc(c2)-c2cnn(C)c2)C(=O)C(Cc2c(C)cccc2C)CN1

BDBM50275936

CN(C)\N=C1\CN(CC(=O)Nc2cccc(c2)-c2cnn(C)c2)C(=O)C(Cc2c(C)cccc2Cl)CN1

BDBM50275979

CN(C)\N=C1\CN(CC(=O)Nc2cccc(c2)-c2cnn(C)c2)C(=O)C(Cc2c(C)cccc2F)CN1

BDBM50275969

CN(C)\N=C1\CN(CC(=O)Nc2cccc(c2)-c2cnn(C)c2)C(=O)C(Cc2c(Cl)cccc2C#N)CN1

BDBM50275928

CN(C)\N=C1\CN(CC(=O)Nc2cccc(c2)-c2cnn(C)c2)C(=O)C(Cc2c(Cl)cccc2Cl)CN1

BDBM50275930

CN(C)\N=C1\CN(CC(=O)Nc2cccc(c2)-c2cnn(C)c2)C(=O)C(Cc2c(F)cccc2C(F)(F)F)CN1

BDBM50275927

CN(C)\N=C1\CN(CC(=O)Nc2cccc(c2)-c2cnn(C)c2)C(=O)C(Cc2c(F)cccc2Cl)CN1

BDBM50275970

CN(C)\N=C1\CN(CC(=O)Nc2cccc(c2)-c2cnn(C)c2)C(=O)C(Cc2c(F)cccc2F)CN1

BDBM50275938

CN(C)\N=C1\CN(CC(=O)Nc2cccc(c2)-c2cnn(C)c2)C(=O)C(Cc2ccccc2C#N)CN1

BDBM50275975

CN(C)\N=C1\CN(CC(=O)Nc2cccc(c2)-c2cnn(C)c2)C(=O)C(Cc2ccccc2Cl)CN1

BDBM100174

CN(C)c1ccc(cc1)-c1cccc2nccn12

BDBM100186

CN(C)c1cccc2c(cccc12)S(=O)(=O)NC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12

BDBM100142

CN(C1CCCCC1)C(=O)c1cc2c(nc3ccccn3c2=O)s1

BDBM50549

CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)c1cc(nc2ccccc12)-c1ccc(C)o1

BDBM100126

CN1C(=CC(=NS1(=O)=O)c1cccs1)C(=O)Nc1ccc(C)cc1 |c:2,4|

BDBM100097

CN1C(N(C)c2ccccc2C1=O)c1ccc(F)cc1

BDBM99997

CN1C(N(C)c2ccccc2C1=O)c1ccc2OCOc2c1

BDBM50518303

CN1CC(N=C1C)c1cn(c2ccccc12)S(=O)(=O)c1ccc(Cl)cc1 |c:4|

BDBM100063

CN1CCN(CC1)C(=O)c1cc2nc(cc(n2n1)C(F)(F)F)-c1ccco1

BDBM100000

CN1CCN(Cc2c(O)c(Cl)cc3c(cc(=O)oc23)-c2ccccc2)CC1

BDBM52678

CN1CCN(Cc2c3O\C(=C/c4ccc(C)cc4)C(=O)c3ccc2O)CC1

BDBM100136

CN1CCSc2ccc(cc12)C(=O)NCc1cccc(F)c1

BDBM100140

CN1CCSc2ccc(cc12)C(=O)NCc1ccccc1F

BDBM34576

CN1CCc2c(C1)c(NCC=C)nc(NCc1ccccc1)c2C#N

BDBM87723

CN1C[C@@H]2[C@@H](c3ccccc3)C(C#N)(C#N)C(N)C(C#N)=C2C=C1 |c:21,24|

BDBM50016479

CN1C[C@H](CO)C=C2[C@H]1Cc1c[nH]c3cccc2c13 |c:6|

BDBM50444600

CNC(=O)c1ccc(Nc2nnc(-c3ccc(O)cc3)c3ccccc23)cc1

BDBM50460882

CNC(=O)c1cccc(NC(=O)CN2C\C(NC[C@@H](Cc3cc(Cl)ccc3OC)C2=O)=N\N(C)C)c1 |r|

BDBM100100

CNc1cc(C)c(C#N)c2nc3ccccc3n12

BDBM100185

CNc1ccc(cn1)-c1cccc(CO)c1

BDBM100180

CNc1cncc(n1)-c1ccc(OC)cc1

BDBM79704

COC(=O)C(=C/c1cc2cc(C)c(C)cc2[nH]c1=O)\C#N

BDBM100118

COC(=O)C(C)Oc1ccc2cc(-c3ccccc3)c(=O)oc2c1

BDBM100026

COC(=O)C1=CN(CC2CCCO2)C=C(C1c1ccsc1)C(=O)OC |c:14,t:4|

BDBM100030

COC(=O)C1C=NC=C(C1c1ccc(cc1)C(=O)OC)C(=O)OC |c:5,7|

BDBM89207

COC(=O)C1CCN(CC1)C(=O)c1cc(nc2ccccc12)-c1ccco1

BDBM100087

COC(=O)CC1=C(C([C-](C#N)C(=[NH2+])O1)c1ccccc1[N+]([O-])=O)C(=O)OC |t:5|

BDBM100008

COC(=O)CNC(=O)COC(=O)c1cc(Cl)cc(Cl)c1N

BDBM75191

COC(=O)Cc1c(C)c2ccc(O)c(CNCc3ccc(OC)c(OC)c3)c2oc1=O

BDBM100050

COC(=O)c1[nH]n(-c2ccccc2)c2c(O)n(-c3ccccc3OC)c(=O)c12 |(13.99,-5.06,;13.51,-3.59,;12.01,-3.28,;10.98,-4.42,;11.53,-1.81,;12.43,-.57,;11.53,.67,;12.01,2.13,;13.51,2.45,;13.99,3.91,;12.96,5.06,;11.46,4.74,;10.98,3.28,;10.07,.2,;8.61,.67,;8.13,2.14,;7.7,-.57,;6.16,-.57,;5.39,-1.91,;3.85,-1.91,;3.08,-.57,;3.85,.76,;5.39,.76,;6.16,2.09,;5.39,3.43,;8.61,-1.82,;8.13,-3.28,;10.07,-1.34,)|

BDBM100120

COC(=O)c1cc(nc2nc(SC)[nH]c(=O)c12)-c1ccc(OC)cc1

BDBM100014

COC(=O)c1ccc(cc1)C1C(C#N)C(C)=NC2=C1C(=O)CC(C)(C)C2 |c:16,18|

BDBM100189

COC(=O)c1ccc(cc1)N1C(CC(=O)C2CC2)c2cc(ccc2C=C1c1cc(OC)cc(OC)c1)-c1ccc(cc1)C(N)=O |c:27|

BDBM100188

COC(=O)c1ccc(cc1)N1C(CC(=O)C2CC2)c2cc(ccc2C=C1c1cc(OC)cc(OC)c1)-c1cccnc1 |c:27|

BDBM203865

COC(=O)c1ccccc1CNC(=O)N1CCC[C@H]1C(=O)Nc1cccc(OC(F)(F)F)c1

BDBM50167828

COC1=C(C(=O)c2c(O)c3C(=O)O[C@@H](C)Cc3c(O)c2C1=O)c1c(O)c2C(=O)C3=C(C[C@H](C)OC3=O)C(=O)c2cc1OC |r,t:2,31|

BDBM113299

COC1CC(OC)=CC=C1c1nc2cc3OCCOc3cc2c(=O)o1 |c:6,8|

BDBM336169

COCCC(OC(=O)C(c1ccccc1)c1ccccc1)C(=O)Nc1cc(C)on1

BDBM100137

COCCCn1c(cc2c1nc1c(C)cccn1c2=O)C(=O)NCCN1CCOCC1

BDBM100006

COCCN(CCOC)c1cc(C)c(C#N)c2nc3ccccc3n12

BDBM100076

COCCN1Cc2cc(=O)n3c4ccccc4nc3c2=C1N |c:22|

BDBM75184

COCCNC(=O)C(=C\c1c(nc2c(C)cccn2c1=O)N1CCN(CC1)c1ccc(OC)cc1)\C#N

BDBM100107

COCCNC(=O)Cc1c(C)c2cc3CCC(C)(C)Oc3cc2oc1=O

BDBM50452095

CO\N=C1\CN(CC(=O)Nc2cccc(c2)C(O)=O)C(=O)[C@H](Cc2cc(Cl)ccc2OC)CN1 |r|

BDBM100085

COc1c(N2CCN(C(C)C2)C(=S)Nc2ccccc2F)c(F)cc2c1n(cc(C(O)=O)c2=O)C1CC1

BDBM50275972

COc1cc(Cl)ccc1CC1CN\C(CN(CC(=O)Nc2cccc(c2)-c2cnn(C)c2)C1=O)=N/N(C)C

BDBM100129

COc1cc(NC(=O)COc2ccccc2Cl)ccc1NC(=O)c1cccs1

BDBM38304

COc1cc(NC(=O)c2ccco2)c(OC)cc1NC(=O)CCC(=O)Nc1cc(C)ccc1C

BDBM50355087

COc1cc(O)c2c(O)c3c(cc(C)oc3=O)c(OC)c2c1

BDBM50444604

COc1cc(\C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1O

BDBM50444598

COc1cc(\C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)N1CCOCC1

BDBM100099

COc1cc(\C=N\NC(=O)c2c(C)nc3ccc(Cl)cn23)cc(OC)c1OC

BDBM50073228

COc1cc(cc(OC)c1OC)C1=Nc2nc3ccccn3c2C(=O)[C@H](Cc2ccccc2)N1 |r,t:13|

BDBM100168

COc1cc2CCN3C4CCC(=O)N4CCC3c2cc1OC

BDBM100045

COc1cc2SC(C)CC(=O)c2cc1OC

BDBM50355086

COc1cc2c(OC)c3cc(C)oc(=O)c3c(O)c2c(O)c1-c1c(OC)cc2c(OC)c3cc(C)oc(=O)c3c(O)c2c1O |(17.28,-41.71,;17.28,-40.17,;15.95,-39.4,;14.61,-40.16,;13.28,-39.39,;11.96,-40.17,;11.96,-41.71,;10.63,-42.48,;10.62,-39.4,;9.29,-40.18,;7.95,-39.4,;6.61,-40.17,;7.95,-37.85,;9.29,-37.09,;9.3,-35.55,;10.62,-37.86,;11.95,-37.08,;11.95,-35.54,;13.29,-37.85,;14.62,-37.09,;14.61,-35.55,;15.95,-37.85,;17.28,-37.08,;17.28,-35.53,;15.94,-34.76,;15.94,-33.22,;18.61,-34.76,;19.94,-35.53,;21.27,-34.76,;21.26,-33.22,;22.59,-32.44,;22.6,-35.52,;23.94,-34.75,;25.28,-35.53,;26.61,-34.76,;25.27,-37.07,;23.93,-37.84,;23.93,-39.38,;22.6,-37.07,;21.27,-37.84,;21.27,-39.38,;19.94,-37.07,;18.61,-37.84,;18.61,-39.38,)|

BDBM50355088

COc1cc2cc3C[C@@H](C)OC(=O)c3c(O)c2c(O)c1-c1c(OC)cc2cc3C[C@@H](C)OC(=O)c3c(O)c2c1O |r,wU:8.8,29.32,(38.37,-41.46,;38.37,-39.92,;37.04,-39.15,;35.7,-39.92,;34.37,-39.14,;33.04,-39.92,;31.71,-39.15,;30.37,-39.93,;29.04,-39.15,;27.7,-39.92,;29.04,-37.6,;30.38,-36.84,;30.38,-35.3,;31.71,-37.61,;33.04,-36.83,;33.04,-35.29,;34.37,-37.6,;35.7,-36.84,;35.7,-35.3,;37.03,-37.6,;38.36,-36.83,;38.36,-35.28,;37.03,-34.51,;37.03,-32.97,;39.7,-34.51,;41.03,-35.28,;42.35,-34.51,;43.69,-35.27,;45.02,-34.5,;46.36,-35.28,;47.7,-34.51,;46.36,-36.82,;45.02,-37.59,;45.01,-39.13,;43.69,-36.82,;42.36,-37.6,;42.36,-39.14,;41.02,-36.82,;39.7,-37.59,;39.7,-39.13,)|

BDBM100010

COc1cc2ccccc2cc1C(=O)OCC(=O)N1CCOCC1

BDBM50289001

COc1cc2nc(oc(=O)c2cc1OC)-c1ccccc1I

BDBM113295

COc1cc2nc(oc(=O)c2cc1OC)-c1ccccc1SC

BDBM99998

COc1ccc(C2C3C(=O)CC(C)(C)CC3=NC(C)=C2C(=O)N2CCOCC2)c(OC)c1 |c:16,19|

BDBM100115

COc1ccc(C2Nc3ccccc3C(=O)N2NC(C)=O)c(OC)c1

BDBM336167

COc1ccc(CC(=O)OC(C(=O)Nc2cc(C)on2)c2ccccc2)cc1

BDBM336187

COc1ccc(CC(=O)OC(C(=O)Nc2ccc(F)cc2)c2ccccc2)cc1

BDBM336166

COc1ccc(CC(=O)OC(C(=O)Nc2ccc(OC)cc2)c2ccccc2)cc1

BDBM336215

COc1ccc(CC(=O)OC(C(C)C)C(=O)Nc2cc(C)on2)cc1

BDBM336225

COc1ccc(CC(=O)OC(C(C)C)C(=O)Nc2ccccc2)cc1

BDBM336134

COc1ccc(CC(=O)OC(C)C(=O)Nc2cc(C)on2)cc1

BDBM336173

COc1ccc(CC(=O)OC(C)C(=O)Nc2ccc(F)cc2)cc1

BDBM336146

COc1ccc(CC(=O)OC(C)C(=O)Nc2ccc(OC)cc2)cc1

BDBM336152

COc1ccc(CC(=O)OC(C)C(=O)Nc2ccccc2)cc1

BDBM336205

COc1ccc(CC(=O)OCC(=O)Nc2cc(C)on2)cc1

BDBM336198

COc1ccc(CC(=O)OCC(=O)Nc2ccc(F)cc2)cc1

BDBM336199

COc1ccc(CC(=O)OCC(=O)Nc2ccc(OC)cc2)cc1

BDBM336208

COc1ccc(CC(=O)OCC(=O)Nc2ccccc2)cc1

BDBM50452094

COc1ccc(Cl)cc1C[C@@H]1CNC(=O)CN(CC(=O)Nc2ccc(O)c(c2)C(O)=O)C1=O |r|

BDBM50452105

COc1ccc(Cl)cc1C[C@@H]1CN\C(CN(CC(=O)Nc2ccc(O)c(c2)C(O)=O)C1=O)=N/Oc1cc(F)cc(F)c1 |r|

BDBM50460868

COc1ccc(Cl)cc1C[C@@H]1CN\C(CN(CC(=O)Nc2cccc(c2)-c2ccco2)C1=O)=N/N(C)C |r|

BDBM50460873

COc1ccc(Cl)cc1C[C@@H]1CN\C(CN(CC(=O)Nc2cccc(c2)-c2cccs2)C1=O)=N/N(C)C |r|

BDBM50460881

COc1ccc(Cl)cc1C[C@@H]1CN\C(CN(CC(=O)Nc2cccc(c2)-c2ccoc2)C1=O)=N/N(C)C |r|

BDBM50460872

COc1ccc(Cl)cc1C[C@@H]1CN\C(CN(CC(=O)Nc2cccc(c2)-c2ccsc2)C1=O)=N/N(C)C |r|

BDBM50275971

COc1ccc(Cl)cc1C[C@@H]1CN\C(CN(CC(=O)Nc2cccc(c2)-c2cnn(C)c2)C1=O)=N/N(C)C |r|

BDBM50460877

COc1ccc(Cl)cc1C[C@@H]1CN\C(CN(CC(=O)Nc2cccc(c2)C(=O)N(C)C)C1=O)=N/N(C)C |r|

BDBM50452092

COc1ccc(Cl)cc1C[C@@H]1CN\C(CN(CC(=O)Nc2cccc(c2)C(O)=O)C1=O)=N/O |r|

BDBM50452101

COc1ccc(Cl)cc1C[C@@H]1CN\C(CN(CC(=O)Nc2cccc(c2)C(O)=O)C1=O)=N/OCC(C)C |r|

BDBM50452102

COc1ccc(Cl)cc1C[C@@H]1CN\C(CN(CC(=O)Nc2cccc(c2)C(O)=O)C1=O)=N/Oc1c(F)cccc1F |r|

BDBM50460870

COc1ccc(Cl)cc1C[C@@H]1CN\C(CN(CC(=O)Nc2cccc(c2)S(=O)(=O)C(F)(F)F)C1=O)=N/N(C)C |r|

BDBM50460869

COc1ccc(Cl)cc1C[C@@H]1CN\C(CN(CC(=O)Nc2cccc(c2)S(=O)(=O)N(C)C)C1=O)=N/N(C)C |r|

BDBM50452100

COc1ccc(Cl)cc1C[C@@H]1CN\C(CN(CC(=O)Nc2cccc(c2)S(C)(=O)=O)C1=O)=N/N(C)C |r|

BDBM50452099

COc1ccc(Cl)cc1C[C@@H]1CN\C(CN(CC(=O)Nc2ccccn2)C1=O)=N/N(C)C |r|

BDBM50452098

COc1ccc(Cl)cc1C[C@@H]1CN\C(CN(CC(=O)Nc2cccnc2)C1=O)=N/N(C)C |r|

BDBM50275974

COc1ccc(Cl)cc1C[C@@H]1CN\C(CN([C@@H](C)C(=O)Nc2cccc(c2)-c2cnn(C)c2)C1=O)=N/N(C)C |r|

BDBM50460874

COc1ccc(Cl)cc1C[C@@H]1CN\C(CN([C@H](C)C(=O)Nc2cccc(c2)-c2cnn(C)c2)C1=O)=N/N(C)C |r|

BDBM50452093

COc1ccc(Cl)cc1C[C@H]1CN\C(CN(CC(=O)Nc2ccc(O)c(c2)C(O)=O)C1=O)=N/Oc1cc(F)cc(F)c1 |r|

BDBM50444602

COc1ccc(NC(=O)C(=C/c2ccc(O)c(OC)c2)\C#N)cc1

BDBM336202

COc1ccc(NC(=O)C(C)OC(=O)C(NC(=O)c2ccccc2)c2ccccc2)cc1

BDBM336188

COc1ccc(NC(=O)C(C)OC(=O)C(c2ccccc2)c2ccccc2)cc1

BDBM336130

COc1ccc(NC(=O)C(C)OC(=O)Cc2ccc(Cl)cc2)cc1

BDBM336226

COc1ccc(NC(=O)C(OC(=O)C(NC(=O)c2ccccc2)c2ccccc2)C(C)C)cc1

BDBM336209

COc1ccc(NC(=O)C(OC(=O)C(c2ccccc2)c2ccccc2)c2ccccc2)cc1

BDBM336150

COc1ccc(NC(=O)C(OC(=O)CCC2CCCC2)c2ccccc2)cc1

BDBM336223

COc1ccc(NC(=O)C(OC(=O)Cc2ccc(Cl)cc2)C(C)C)cc1

BDBM336143

COc1ccc(NC(=O)C(OC(=O)Cc2ccc(Cl)cc2)c2ccccc2)cc1

BDBM336190

COc1ccc(NC(=O)COC(=O)C(NC(=O)c2ccccc2)c2ccccc2)cc1

BDBM336218

COc1ccc(NC(=O)COC(=O)C(c2ccccc2)c2ccccc2)cc1

BDBM336177

COc1ccc(NC(=O)COC(=O)CCC2CCCC2)cc1

BDBM336171

COc1ccc(NC(=O)COC(=O)Cc2ccc(Cl)cc2)cc1

BDBM100121

COc1ccc(NC(=O)c2cc(on2)-c2ccco2)cc1OC

BDBM100158

COc1ccc(NC(=O)c2ccc(NC(=O)CSc3nc(N)cc(=O)[nH]3)cc2)cc1

BDBM100156

COc1ccc(NC(=O)c2ccc(cc2)S(=O)(=O)N2CC(C)CC(C)C2)cc1S(N)(=O)=O

BDBM100035

COc1ccc(OC(=O)c2cccc(c2)[N+]([O-])=O)c(c1)C(=O)\C=C\c1cccs1

BDBM100157

COc1ccc(OC)c(\C=C\C(=O)N(C)CC(=O)Nc2ccc(cc2)N2CCOCC2)c1

BDBM100079

COc1ccc(OC)c(\C=C\C(=O)NCCc2nc3ccccc3[nH]2)c1

BDBM100153

COc1ccc(OC)c(\C=C\C(=O)OCC(=O)NCc2ccco2)c1

BDBM100096

COc1ccc(OC)c(\C=N/NC(=O)c2c(C)nc3cc(C)ccn23)c1

BDBM100047

COc1ccc(OC)c(\C=N\NC(=O)CN2CCSCC2)c1

BDBM50073229

COc1ccc(OC)c(c1)C1=Nc2nc3ccccn3c2C(=O)[C@H](Cc2ccccc2)N1 |r,t:11|

BDBM100052

COc1ccc(\C=C(\CC(=O)NCc2ccc(Cl)cc2)c2nc3ccccc3s2)cc1

BDBM50444597

COc1ccc(\C=C2\SC(=O)N(CNc3cc(F)ccc3C)C2=O)cc1OC

BDBM100147

COc1ccc(\C=N\NC(=O)c2cc3c(ccc4ccccc34)o2)cc1OC

BDBM113301

COc1ccc(c(OC)c1)-c1nc2cc(OC)c(OC)cc2c(=O)o1

BDBM113283

COc1ccc(c(OC)c1)-c1nc2cc3OCCCOc3cc2c(=O)o1

BDBM66193

COc1ccc(cc1)-c1cc(-c2ccccc2)c2c(N)ncnc2n1

BDBM99999

COc1ccc(cc1)-c1cc(-c2ccccc2)n2ncnc2n1

BDBM65154

COc1ccc(cc1)-c1cc(=O)oc2cc(OC(=O)C3CCCCC3)c(Cl)cc12

BDBM100124

COc1ccc(cc1)-c1cc(C(=O)NC2CC2)c2ccccc2n1

BDBM100193

COc1ccc(cc1)-c1ccc2N(Cc3ccccc3C(F)(F)F)CCCc2n1

BDBM100148

COc1ccc(cc1)-c1ccc2nnc(SCC(=O)N3CCCC3)n2n1

BDBM100149

COc1ccc(cc1)-c1ccc2nnc(SCC(=O)NCC3CCCO3)n2n1

BDBM100103

COc1ccc(cc1)-c1coc2c(CN3CCCCC3C)c(O)ccc2c1=O

BDBM50241529

COc1ccc(cc1)-c1coc2cc(O)c(OC)cc2c1=O

BDBM33453

COc1ccc(cc1)C(=O)n1cnnc1N

BDBM51911

COc1ccc(cc1)C(CCNCc1ccc(OC(C)C)cc1)c1ccccc1OC

BDBM50073231

COc1ccc(cc1)C1=Nc2nc3ccccn3c2C(=O)[C@H](Cc2ccccc2)N1 |r,t:9|

BDBM33437

COc1ccc(cc1OC)C(=O)n1nc(nc1N)-c1ccccc1

BDBM50073221

COc1ccc(cc1OC)C1=Nc2nc3ccccn3c2C(=O)[C@H](Cc2ccccc2)N1 |r,t:11|

BDBM100066

COc1ccc(cc1OC)C1Nc2ccccc2C(=O)N1NS(C)(=O)=O

BDBM100080

COc1ccc2OC(O)(CC(=O)c2c1)C(F)F

BDBM100152

COc1ccc2c(c1)[nH]c1c(C)nccc21

BDBM100125

COc1ccc2cc(ccc2c1)C(=O)C1CCCN(C1)C(=O)c1cccnc1

BDBM100194

COc1ccc2ccccc2c1C=NNC(=O)c1cc(n[nH]1)-c1ccc(C)c(C)c1 |w:13.15|

BDBM81244

COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc(O)c(CN4CCN(C)CC4)c3)c2c1

BDBM100131

COc1ccc2oc(=O)c(cc2c1)C(=O)N1CCN(CC1)C(=O)c1ccccc1

BDBM50275978

COc1cccc(C)c1CC1CN\C(CN(CC(=O)Nc2cccc(c2)-c2cnn(C)c2)C1=O)=N/N(C)C

BDBM100183

COc1cccc(CN2CC(CCC2=O)C(=O)NCCc2cn3cccnc3n2)c1

BDBM100117

COc1cccc(CNC(=O)c2ccc3SCCN(C)c3c2)c1OC

BDBM50275929

COc1cccc(Cl)c1CC1CN\C(CN(CC(=O)Nc2cccc(c2)-c2cnn(C)c2)C1=O)=N/N(C)C

BDBM50275939

COc1cccc(F)c1CC1CN\C(CN(CC(=O)Nc2cccc(c2)-c2cnn(C)c2)C1=O)=N/N(C)C

BDBM50460871

COc1cccc(NC(=O)CN2C\C(NC[C@@H](Cc3cc(Cl)ccc3OC)C2=O)=N\N(C)C)c1 |r|

BDBM100075

COc1cccc2cccc(\C=N\n3cnnc3)c12

BDBM76152

COc1cccc2sc3cc(NCC[C@@H]4CCCN4C)ccc3c(=O)c12

BDBM113119

COc1ccccc1-c1nc2cc3OCCCOc3cc2c(=O)o1

BDBM113296

COc1ccccc1-c1nc2cc3OCCOc3cc2c(=O)o1

BDBM100001

COc1ccccc1C1CC(=Nc2nnnn12)c1ccc(C)cc1 |c:11|

BDBM100023

COc1ccccc1C1CC(=Nc2nnnn12)c1ccccc1 |c:11|

BDBM100143

COc1ccccc1CC(=O)Nc1ccc(NC(=O)c2cccs2)cc1

BDBM50275937

COc1ccccc1C[C@@H]1CN\C(CN(CC(=O)Nc2cccc(c2)-c2cnn(C)c2)C1=O)=N/N(C)C |r|

BDBM100161

COc1ccccc1N(C)S(=O)(=O)c1ccc(cc1)C(=O)Nc1ccc(cc1)C(N)=O

BDBM100178

CS(=O)(=O)Nc1ccc(cc1)-c1cnc2cccnn12

BDBM83150

CS(=O)(=O)c1ccc(cc1)-c1sc2cc3OCOc3cc2c1C(=O)NN1CCOCC1

BDBM113293

CS(=O)(=O)c1ccccc1-c1nc2cc3OCCCOc3cc2c(=O)o1

BDBM113297

CS(=O)(=O)c1ccccc1-c1nc2cc3OCCOc3cc2c(=O)o1

BDBM50598306

CSCC[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CSCC(=O)CSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC1=O)C(=O)N[C@@H](CO)C(O)=O)NC(=O)[C@@H]1CCCN1 |r|

BDBM50446215

CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1 |r|

BDBM50446223

CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)O[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1 |r|

BDBM50598289

CSCC[C@H](NC(=O)[C@@H]1CSCc2cccc(CSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N1)n2)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1CSCc2cccc(CSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N1CCC[C@H]1C(O)=O)n2 |r|

BDBM100155

CSc1ccc(\C=C\C(=O)OCC(=O)NC2CCS(=O)(=O)C2)cc1

BDBM100091

CSc1ccc(cc1)C1NC(=O)c2ccccc2N1

BDBM113292

CSc1ccccc1-c1nc2cc3OCCCOc3cc2c(=O)o1

BDBM100172

C[C@H](O)[C@H]1[C@H](C[C@@H]2N(CCc3c2[nH]c2ccccc32)C1=O)N(C)C(=O)NC1CCCCC1

BDBM100187

C[C@H](O)[C@H]1[C@H](C[C@@H]2N(CCc3c2[nH]c2ccccc32)C1=O)N(C)C(=O)c1cc(Cl)cc(Cl)c1

BDBM100171

C[C@H](O)[C@H]1[C@H](C[C@@H]2N(CCc3c2[nH]c2ccccc32)C1=O)N(C)S(=O)(=O)c1ccccc1

BDBM100159

Cc1c([nH]c2cnccc12)C1(O)CCCCC1

BDBM100144

Cc1cc(=O)oc2c3CCC(C)(C)Oc3cc(OCC(=O)NCc3ccncc3)c12

BDBM52033

Cc1cc(=O)oc2c3CCC(C)(C)Oc3cc(OCC(=O)N[C@@H](Cc3ccccc3)C(O)=O)c12

BDBM100160

Cc1cc(=O)oc2cc(OCC(=O)N3CCOCC3)c(Cl)cc12

BDBM100007

Cc1cc(C)c2c(nn3c(NCCN4CCOCC4)cc(C)nc23)n1

BDBM70685

Cc1cc(C)cc(Oc2coc3cc(OC(=O)c4cccs4)ccc3c2=O)c1

BDBM100053

Cc1cc(C)n2cc(CSCc3ccccc3)nc2n1

BDBM336180

Cc1cc(NC(=O)C(OC(=O)C(NC(=O)c2ccccc2)c2ccccc2)c2ccccc2)no1

BDBM336185

Cc1cc(NC(=O)C(OC(=O)C(c2ccccc2)c2ccccc2)c2ccccc2)no1

BDBM336151

Cc1cc(NC(=O)C(OC(=O)CCC2CCCC2)c2ccccc2)no1

BDBM336148

Cc1cc(NC(=O)C(OC(=O)Cc2ccc(Cl)cc2)c2ccccc2)no1

BDBM336191

Cc1cc(NC(=O)COC(=O)C(NC(=O)c2ccccc2)c2ccccc2)no1

BDBM336211

Cc1cc(NC(=O)COC(=O)C(c2ccccc2)c2ccccc2)no1

BDBM336189

Cc1cc(NC(=O)COC(=O)CCC2CCCC2)no1

BDBM336204

Cc1cc(NC(=O)COC(=O)Cc2ccc(Cl)cc2)no1

BDBM99996

Cc1cc(NCCCCO)n2c(nc3ccccc23)c1C#N

BDBM77974

Cc1cc(Nc2cccc(F)c2)nc(n1)-c1ccccc1O

BDBM100071

Cc1cc2nc([nH]c2cc1C)-c1ccc(SCc2ccccn2)nc1

BDBM50520060

Cc1ccc(C[C@@H]2NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]4CCCN4C(=O)[C@@H]4CCCN4C(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC2=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N3)cc1 |r|

BDBM100034

Cc1ccc(\C=N\c2ccccc2C(N)=O)cc1

BDBM50073233

Cc1ccc(c(C)c1)C1=Nc2nc3ccccn3c2C(=O)[C@H](Cc2ccccc2)N1 |r,t:9|

BDBM49521

Cc1ccc(cc1)C(=O)Nc1ccc2nccnc2c1

BDBM100041

Cc1ccc(cc1)C(=O)c1sc(NCC=C)c(C#N)c1N

BDBM32709

Cc1ccc(cc1)C(=O)n1nc(nc1N)-c1cccnc1

BDBM50073230

Cc1ccc(cc1)C1=Nc2nc3ccccn3c2C(=O)[C@H](Cc2ccccc2)N1 |r,t:8|

BDBM50518296

Cc1ccc(cc1)S(=O)(=O)n1cc(C2CNC(=N2)C2CCCCC2)c2ccccc12 |c:17|

BDBM50446230

Cc1ccc(cc1)S(=O)(=O)n1cnc(C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]2CO[C@@H]3[C@@H](CO[C@H]23)OCc2ccccc2)c1 |r|

BDBM51549

Cc1ccc(cc1NC(=O)c1ccc(Br)o1)-c1cn2cccnc2n1

BDBM100130

Cc1ccc(o1)C(=O)Nc1ccc(NC(=O)c2ccc(C)o2)cc1

BDBM100039

Cc1ccc2nc(NC(=O)c3ccc4ncsc4c3)sc2c1

BDBM74788

Cc1ccc2nc(NCC(O)=O)nc(-c3ccccc3)c2c1

BDBM100062

Cc1ccc2nc3nc(NCC4CCCO4)c(cc3c(=O)n2c1)C(=O)NCC1CCCO1

BDBM100055

Cc1cccc(C)c1NC(=O)C(N1CC(=O)Nc2ccccc12)c1ccccc1

BDBM100038

Cc1cccc(\C=N\c2ccccc2C(N)=O)c1

BDBM29658

Cc1cccc(c1)C(=O)\N=c1/c(cc2c(nc3c(C)cccn3c2=O)n1Cc1ccco1)C#N

BDBM100090

Cc1cccc2c(C(O)=O)c3cccc(C)c3nc12

BDBM100086

Cc1ccccc1-n1c2ccccc2cc2c1nc(=O)n(C)c2=O |(9.85,1.57,;8.52,2.34,;8.52,3.88,;7.19,4.65,;5.85,3.88,;5.85,2.34,;7.19,1.57,;7.19,.03,;5.85,-.74,;4.48,.08,;3.08,-.71,;3.08,-2.32,;4.48,-3.11,;5.85,-2.28,;7.19,-3.05,;8.52,-2.28,;8.52,-.74,;9.9,.08,;11.29,-.71,;12.62,.06,;11.29,-2.32,;12.62,-3.09,;9.9,-3.11,;9.88,-4.65,)|

BDBM50073226

Cc1ccccc1C(=O)N[C@@H](Cc1ccccc1)C(=O)c1c(N)nc2ccccn12 |r|

BDBM50073232

Cc1ccccc1C1=Nc2nc3ccccn3c2C(=O)[C@@H](Cc2ccccc2)N1 |r,t:8|

BDBM50073222

Cc1ccccc1C1=Nc2nc3ccccn3c2C(=O)[C@H](Cc2ccccc2)N1 |r,t:8|

BDBM100184

Cc1ccccc1NC(=O)COC(=O)COc1ccc2ccc(=O)oc2c1

BDBM100127

Cc1cccn2c1nc1n(C)c(cc1c2=O)C(=O)N1CCOCC1

BDBM100164

Cc1cccn2c1nc1n(Cc3ccco3)\c(=N\C(=O)c3ccccc3)c(cc1c2=O)C#N

BDBM100022

Cc1cccn2c1nc1sc(cc1c2=O)C(=O)NC1CCS(=O)(=O)C1

BDBM100102

Cc1coc2c1c(C)cc1oc(=O)c(CC(=O)NCCCCCC(O)=O)c(C)c21

BDBM53585

Cc1n(C)cc[n+]2cccc12

BDBM100031

Cc1nc2ccc(NC(=O)N3CCCCC3)cc2nc1C

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,)|

BDBM100011

Cc1nn(-c2ccccn2)c2nc(cc(C(=O)N3CCOCC3)c12)-c1cccs1

BDBM100009

Cc1nn(CCc2nnn[nH]2)c2nc(cc(c12)C(F)(F)F)C(F)(F)F

BDBM50459539

Cc1nn(c(C)c1NC(=O)COC(=O)Cc1c(C)[nH]c2cc(ccc12)C(N)=N)-c1ccccc1

BDBM50459538

Cc1nn(c(C)c1NC(=O)COC(=O)Cc1c(C)[nH]c2ccccc12)-c1ccccc1

BDBM100032

Cc1nnc2nc(SCC(=O)N3CCCC3)n(-c3cccc(C)c3)c(N)c12

BDBM100105

Cc1oc2c(C)c3oc(=O)c(CCC(=O)NCCCCCC(O)=O)c(C)c3cc2c1C

BDBM100002

Cc1oc2c(CN3CCCC3)c(O)ccc2c(=O)c1-c1ccc(Br)cc1

BDBM100104

Cc1oc2c(CN3CCCCC3)c(O)ccc2c(=O)c1-c1ccc(Br)cc1

BDBM100111

Cc1oc2c(c1C)c(C)cc1oc(=O)c(CC(=O)N[C@@H](CCCNC(N)=O)C(O)=O)c(C)c21

BDBM100068

Cc1sc(nc1OC(=O)c1ccc(F)cc1F)-c1ccncc1

BDBM50452103

Cl.COc1ccc(Cl)cc1C[C@@H]1CN\C(CN(CC(=O)Nc2ccc(cc2)C(O)=O)C1=O)=N/N(C)C |r|

BDBM50460867

Cl.COc1ccc(Cl)cc1C[C@@H]1CN\C(CN(CC(=O)Nc2cccc(c2)C#N)C1=O)=N/N(C)C |r|

BDBM50460883

Cl.COc1ccc(Cl)cc1C[C@@H]1CN\C(CN(CC(=O)Nc2cccc(c2)C(F)(F)F)C1=O)=N/N(C)C |r|

BDBM50275926

Cl.COc1ccc(Cl)cc1C[C@@H]1CN\C(CN(CC(=O)Nc2cccc(c2)C(O)=O)C1=O)=N/N(C)C |r|

BDBM50452104

Cl.COc1ccc(Cl)cc1C[C@@H]1CN\C(CN(CC(=O)Nc2ccccc2)C1=O)=N/N(C)C |r|

BDBM50452097

Cl.COc1ccc(Cl)cc1C[C@@H]1CN\C(CN(CC(=O)Nc2ccccc2C(O)=O)C1=O)=N/N(C)C |r|

BDBM50525902

Cl.COc1ccc2B(O)OC(Cc3ccc(C(N)=N)c(OCc4cccnc4)c3)c2c1

BDBM50525897

Cl.Cc1ccc2B(O)OC(Cc3ccc(C(N)=N)c(OCc4cccnc4)c3)c2c1

BDBM50525900

Cl.Cc1cccc2CC(OB(O)c12)c1ccc(C(N)=N)c(OCc2cccnc2)c1

BDBM50525912

Cl.NC(=N)c1ccc(CC2OB(O)c3cc(F)ccc23)cc1OCc1cccnc1

BDBM50525918

Cl.NC(=N)c1ccc(CC2OB(O)c3cc(ccc23)C(F)(F)F)cc1OCc1cccnc1

BDBM50525901

Cl.NC(=N)c1ccc(CC2OB(O)c3ccc(F)cc23)cc1OCc1cccnc1

BDBM50525903

Cl.NC(=N)c1ccc(CC2OB(O)c3ccccc23)cc1OCc1cccnc1

BDBM50525905

Cl.NC(=N)c1ccc(cc1OCc1cccc(Cl)c1)C1Cc2ccccc2B(O)O1

BDBM50525911

Cl.NC(=N)c1ccc(cc1OCc1ccccc1Cl)C1Cc2ccccc2B(O)O1

BDBM50525904

Cl.NC(=N)c1ccc(cc1OCc1cccnc1)C1Cc2cc(Cl)c(F)cc2B(O)O1

BDBM50525913

Cl.NC(=N)c1ccc(cc1OCc1cccnc1)C1Cc2ccc(F)cc2B(O)O1

BDBM50525895

Cl.NC(=N)c1ccc(cc1OCc1cccnc1)C1Cc2ccc(cc2B(O)O1)C(F)(F)F

BDBM50525917

Cl.NC(=N)c1ccc(cc1OCc1cccnc1)C1Cc2ccccc2B(O)O1

BDBM50525899

Cl.NC(=N)c1ccc(cc1OCc1cccnc1)[C@@H]1Cc2ccc(cc2B(O)O1)C(F)(F)F |r|

BDBM50525914

Cl.NC(=N)c1ccc(cc1OCc1cccnc1)[C@H]1Cc2ccc(cc2B(O)O1)C(F)(F)F |r|

BDBM336163

Clc1ccc(CC(=O)OC(C(=O)Nc2ccccc2)c2ccccc2)cc1

BDBM100177

Clc1ccc(cc1)-c1cnc2cccnn12

BDBM113248

Clc1ccccc1-c1nc2cc3OCCCOc3cc2c(=O)o1

BDBM113300

Clc1ccccc1-c1nc2cc3OCCOc3cc2c(=O)o1

BDBM47403

FC(F)(F)C(=O)Nc1cccc2c3ccccc3[nH]c12

BDBM100133

FC(F)(F)c1cc(nc2cc(nn12)C(=O)NCCCN1CCCC1=O)-c1ccco1

BDBM100132

FC(F)(F)c1cc(nc2cc(nn12)C(=O)NCCCN1CCOCC1)-c1ccco1

BDBM100073

Fc1c(F)c(F)c(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c(F)c1F

BDBM336160

Fc1ccc(NC(=O)C(OC(=O)Cc2ccc(Cl)cc2)c2ccccc2)cc1

BDBM336192

Fc1ccc(NC(=O)COC(=O)C(NC(=O)c2ccccc2)c2ccccc2)cc1

BDBM336219

Fc1ccc(NC(=O)COC(=O)C(c2ccccc2)c2ccccc2)cc1

BDBM336182

Fc1ccc(NC(=O)COC(=O)CCC2CCCC2)cc1

BDBM336181

Fc1ccc(NC(=O)COC(=O)Cc2ccc(Cl)cc2)cc1

BDBM100058

Fc1ccc(cc1)-c1nc2cnccn2c1NC1CCCC1

BDBM100072

Fc1ccc(cc1)C(=O)Nc1ncc2COc3ccccc3-c2n1

BDBM75148

Fc1ccc2[nH]c(=O)nc(-c3ccccc3Cl)c2c1

BDBM100057

Fc1ccccc1N1C(Nc2ccccc2C1=O)c1cccnc1

BDBM100059

N#Cc1ccc2c(c1)nc1ccccn21

BDBM46572

N=C1N2N=C(SC2=NC(=O)\C1=C\c1coc2ccccc2c1=O)c1ccncc1 |c:3,7|

BDBM100128

N=c1c(cc2c(nc3ccccn3c2=O)n1C1CCCC1)C(=O)NCC1CCCO1

BDBM100123

N=c1c(cc2c(nc3ccccn3c2=O)n1CC1CCCO1)C(=O)NC1CCCC1

BDBM50522493

NC(=N)c1ccc(NCc2nc(c[nH]2)-c2ccccc2)cc1OCc1cccnc1

BDBM50520049

NC(=O)CC[C@@H]1NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]3CCCN3C(=O)[C@@H]3CCCN3C(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc3ccc(Cl)cc3)NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N2 |r|

BDBM50520052

NC(=O)CC[C@@H]1NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]3CCCN3C(=O)[C@@H]3CCCN3C(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc3ccc(I)cc3)NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N2 |r|

BDBM50520061

NC(=O)CC[C@@H]1NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]3CCCN3C(=O)[C@@H]3CCCN3C(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc3ccc(cc3)[N+]([O-])=O)NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N2 |r|

BDBM50513785

NC(=O)C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N2 |r|

BDBM50513781

NC(=O)C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)CNC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N2 |r|

BDBM50513783

NC(=O)C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N2 |r|

BDBM100033

NC(=O)c1ccccc1\N=C\c1ccccc1

BDBM60517

NC(=O)n1cc(NC(=O)N2CCC[C@H]2C(=O)Nc2cccc(OC(F)(F)F)c2)c2ccccc12 |r|

BDBM100048

NS(=O)(=O)c1ccc(cc1)-c1ccc(\C=C(\C#N)C(=O)Nc2ccccc2)o1

BDBM100051

NS(=O)(=O)c1ccc2n(CC=C)\c(=N/C(=O)c3ccc(cc3)S(=O)(=O)N3CCc4ccccc4C3)sc2c1

BDBM100044

Nc1c(Cl)cc(Cl)cc1C(=O)OCC(=O)N1CCCC1

BDBM100077

Nc1ccc(Cl)cc1C(=O)OCC(=O)NC1CCS(=O)(=O)C1

BDBM50444601

Nc1ccc2nc(SCc3nc4ccccc4c(=O)n3-c3cccc(c3)C(F)(F)F)[nH]c2c1

BDBM48642

Nc1ccc2nc([nH]c2c1)-c1cc(Cl)c(N)c(Cl)c1

BDBM33882

Nc1nc(nn1C(=O)c1ccc(Cl)cc1)-c1cccnc1

BDBM50438170

Nc1nc(nn1C(=O)c1ccc(Cl)cc1Cl)-c1cccnc1

BDBM100078

Nc1nc2OC(CCl)Cc2c2c(C#N)c(nc(N)c12)N1CCOCC1

BDBM100190

Nc1nc2ccc(Cl)cc2cc1C(=O)NCCCN1CCOCC1

BDBM50073224

Nc1nc2ccccn2c1C(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccccc1 |r|

BDBM100192

Nc1nc2ncccn2c1-c1ccc(F)c(F)c1

BDBM100150

Nc1nccnc1C(=O)OCC(=O)Nc1sc2CCCCc2c1C#N

BDBM100151

Nc1nccnc1C(=O)OCc1nc2sc3CCCCc3c2c(=O)[nH]1

BDBM336168

O=C(CCC1CCCC1)OC(C(=O)NCc1ccccc1)c1ccccc1

BDBM336193

O=C(COC(=O)C(NC(=O)c1ccccc1)c1ccccc1)Nc1ccccc1

BDBM336221

O=C(COC(=O)C(c1ccccc1)c1ccccc1)Nc1ccccc1

BDBM336186

O=C(COC(=O)CCC1CCCC1)Nc1ccccc1

BDBM100165

O=C(C[C@H]1C[C@H](C(=O)N2CCCCC2)[C@]2(CCc3ccccc3)N(CCc3c2[nH]c2cc(ccc32)-c2ccco2)C1=O)NCCN1CCOCC1

BDBM100135

O=C(NC1CCCCCC1)c1cc2c(nc3ccccn3c2=O)s1

BDBM50391076

O=C(N[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1)C(\NC(=O)c1ccccc1)=C\c1ccc2OCOc2c1 |r|

BDBM50391077

O=C(N[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1)C(\NC(=O)c1ccccc1)=C\c1cccnc1 |r|

BDBM50391078

O=C(N[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1)C(\NC(=O)c1ccccc1)=C\c1ccco1 |r|

BDBM50391075

O=C(N[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1)C(\NC(=O)c1ccccc1)=C\c1cccs1 |r|

BDBM50446227

O=C(N[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1)C(\NC(=O)c1ccccc1)=C\c1cccs1 |r|

BDBM50446213

O=C(N[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1 |r|

BDBM50446212

O=C(N[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1)[C@H]1CCCN1C(=O)OCc1ccccc1 |r|

BDBM100195

O=C(Nc1c(nc2ncccn12)-c1ccccc1)c1ccccc1

BDBM100139

O=C(Nc1ccc(NC(=O)c2cccs2)cc1)c1cccs1

BDBM100074

O=C(Nc1ccc2C(=O)NC(=O)c2c1)c1ccc(cc1)S(=O)(=O)N1CCCC1

BDBM50282

O=C(Nc1ccc2nc3ccccc3nc2c1)c1ccccc1

BDBM336207

O=C(Nc1ccccc1)C(OC(=O)C(NC(=O)c1ccccc1)c1ccccc1)c1ccccc1

BDBM38923

O=C(OC1CCOC1=O)c1ccc(s1)-c1nc2ccccc2s1

BDBM50446221

O=C(O[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1 |r|

BDBM50446220

O=C(O[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1)[C@H]1CCCN1C(=O)OCc1ccccc1 |r|

BDBM53937

O=C(Oc1c(oc2ccccc2c1=O)-c1ccco1)c1cccnc1

BDBM100025

O=C1N(Cc2ccco2)C(Nc2ccccc12)c1ccccc1

BDBM100029

O=S(=O)(N1CCOCC1)c1ccc(cc1)-c1cn2ccccc2n1

BDBM71270

O=c1[nH]c(cc2ccccc12)N1CCOCC1

BDBM100013

O=c1n(CCCN2CCCCC2)c(=S)[nH]c2ccc(cc12)N1CCOCC1

BDBM100081

OC(=O)CCC(=O)NN1C(Nc2ccccc2C1=O)c1ccc(F)cc1

BDBM100082

OC(=O)CCC(=O)NN1C(Nc2ccccc2C1=O)c1ccco1

BDBM100116

OC(=O)CCN1c2cccc3cccc(c23)S1(=O)=O

BDBM100016

OC(=O)CCc1nn2c3ccccc3nc2n(CCN2CCCCC2)c1=O

BDBM100054

OC(=O)c1ccc(\C=N\NC(=O)c2cc(nc3ccccc23)-c2cccs2)cc1

BDBM48884

OC1CCC(CC1)NC(=O)c1cc(nc2ccccc12)-c1ccco1 |(6.85,-6.46,;6.85,-4.92,;5.52,-4.15,;5.52,-2.61,;6.85,-1.84,;8.18,-2.61,;8.18,-4.15,;6.85,-.3,;8.18,.47,;9.52,-.3,;8.18,2.01,;6.85,2.78,;6.85,4.32,;8.18,5.09,;9.52,4.32,;10.9,5.14,;12.29,4.35,;12.29,2.75,;10.9,1.95,;9.52,2.78,;5.52,5.09,;5.36,6.62,;3.85,6.94,;3.08,5.61,;4.11,4.46,)|

BDBM100176

OC1N2CCCC2=Nc2c(Cl)cc(Cl)cc12 |c:7|

BDBM100154

OCCN1CCN(CC1)C(=O)c1cc(nc2ccccc12)-c1cccs1

BDBM29681

OCCNc1c2ccccc2nc2c(F)c(F)c(F)c(F)c12

BDBM100141

Oc1ccc(C=Cc2nc3ccccc3c(=O)n2-c2ccc(O)cc2)cc1 |w:6.6|

BDBM100134

Oc1ccc(cc1)-c1cc(no1)C(=O)Nc1ccc2OCOc2c1

BDBM50292533

Oc1ccc(cc1)[C@@H]1Oc2cc(O)cc(O)c2C(=O)[C@H]1c1c(O)cc(O)c2C(=O)CC(Oc12)c1ccc(O)c(O)c1 |r|

BDBM100166

Oc1ccc2c(CC(=O)NN=Cc3ccc(cc3)N(CCCl)CCCl)cc(=O)oc2c1

BDBM100004

Oc1ccc2c(occ(-c3ccc(Br)cc3)c2=O)c1CN1CCOCC1

BDBM100028

Oc1ccc2c(occ(-c3ccccc3)c2=O)c1CN1CCOCC1

BDBM50073227

Oc1cccc(c1)C1=Nc2nc3ccccn3c2C(=O)[C@H](Cc2ccccc2)N1 |r,t:8|

BDBM100089

Oc1ccccc1C(=O)Nc1ccc(NC(=O)Nc2ccc(F)cc2F)cc1

BDBM50446228

[#6]C([#6])([#6])[#8]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7]-[#6](=O)-[#8]-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#8]-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@H]-1-[#6]-[#8]-[#6@@H]-2-[#6@@H](-[#6]-[#8]-[#6@H]-1-2)-[#8]-[#6]-c1ccccc1 |r|

BDBM50288832

[#6]S([#8])(=O)=O.[#6]-[#6]-[#8]-[#6](=O)-c1ccc(-[#8]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])cc1

BDBM100061

[H]C12CC(C)(NC(=O)\C1=C(/O)\C=C\c1ccc(OC)c(OC)c1OC)Oc1ccccc21 |THB:9:8:2:25.31.26,30:31:2:5.8.6|

BDBM100170

[H]C12CC(C3NC(=O)c4ccccc4N3)C([H])(C1)C=C2 |c:21,THB:4:3:17:18.19|

BDBM50125021

[H][C@@]12CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@]1([H])CSSC[C@]([H])(NC(=O)[C@@]([H])(NC(=O)CNC(=O)[C@H](CC(N)=O)NC2=O)[C@@H](C)O)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N2CCC[C@@]2([H])C(=O)N2CCC[C@@]2([H])C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N1 |r|

BDBM50124906

[H][C@@]12CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@]1([H])CSSC[C@]([H])(NC(=O)[C@@]([H])(NC(=O)CNC(=O)[C@H](CC(N)=O)NC2=O)[C@@H](C)O)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N2CCC[C@@]2([H])C(=O)N2CCC[C@@]2([H])C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N1 |r|

BDBM50598292

[H][C@@]12CCCN1C(=O)[C@H](CSCC(=O)CSC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC2=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@@H]1CSCC(=O)CSC[C@H](NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(C)C |r|

BDBM50598294

[H][C@@]12CCCN1C(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CSCC(=O)CSC[C@H](NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC2=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@H]1CSCC(=O)CSC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@]2([H])CCCN2C1=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O)NC(=O)[C@@H](N)Cc1ccccc1 |r|

BDBM50205623

[H][C@]12OC[C@H](N(C(=O)Cc3ccc(F)cc3)C(C)(C)C(=O)NC3CCCCC3)[C@@]1([H])OC[C@H]2OCc1ccccc1 |r|

BDBM50205625

[H][C@]12OC[C@H](N(C(=O)Cc3ccc(O)cc3)C(C)(C)C(=O)NC3CCCCC3)[C@@]1([H])OC[C@@H]2N(C(=O)Cc1ccc(O)cc1)C(C)(C)C(=O)NC1CCCCC1 |r|

BDBM50205620

[H][C@]12OC[C@H](N(C(=O)Cc3ccc(O)cc3)C(C)(C)C(=O)NC3CCCCC3)[C@@]1([H])OC[C@H]2OCc1ccccc1 |r|

BDBM50205624

[H][C@]12OC[C@H](N(C(=O)Cc3ccc(OC)cc3)C(C)(C)C(=O)NC3CCCCC3)[C@@]1([H])OC[C@H]2OCc1ccccc1 |r|

BDBM50205621

[H][C@]12OC[C@H](N(C(=O)c3ccccc3)C(C)(C)C(=O)NC3CCCCC3)[C@@]1([H])OC[C@H]2OCc1ccccc1 |r|