SMILES for Fatty acid-binding protein 5

Cc1noc(n1)-c1c(NC(=O)C2=C(C3CCC2CC3)C(O)=O)sc2CCCCc12 |t:12,TLB:19:12:14.15:17.18,THB:9:11:14.15:17.18,(1.35,5.43,;.01,4.66,;-1.45,5.13,;-2.36,3.89,;-1.45,2.64,;.01,3.12,;-1.85,1.15,;-.95,-.09,;.59,-.09,;1.36,-1.43,;.59,-2.76,;2.9,-1.43,;3.67,-2.76,;5.21,-2.76,;5.98,-1.43,;5.21,-.09,;3.67,-.09,;3.67,-1.63,;5.16,-1.23,;2.9,-4.09,;1.36,-4.09,;3.67,-5.43,;-1.85,-1.34,;-3.32,-.86,;-4.65,-1.63,;-5.98,-.86,;-5.98,.68,;-4.65,1.45,;-3.32,.68,)|

BDBM312255

Cc1noc(n1)-c1c(NC(=O)[C@H]2CCCC[C@H]2C(O)=O)sc2CCCCc12 |r|

BDBM312259

CC1(C)COC(=N1)c1c(NC(=O)C2=C(CCC2)C(O)=O)sc2CCCCc12 |c:5,t:13|

BDBM312260

OC(=O)C1=C(CCC1)C(=O)Nc1sc2CCCCc2c1-c1ncccn1 |t:3|

BDBM312262

OC(=O)C1=C(CCC1)C(=O)Nc1sc2CCCCc2c1-c1ncon1 |t:3|

BDBM312263

OC(=O)C1=C(CCCC1)C(=O)Nc1sc2CCCCc2c1-c1ncccn1 |t:3|

BDBM312266

OC(=O)c1nccnc1C(=O)Nc1sc2CCCCc2c1-c1ncccn1

BDBM312267

Cc1noc(n1)-c1c(NC(=O)[C@H]2CC=CC[C@H]2C(O)=O)sc2CCCCc12 |r,c:14|

BDBM312268

OC(=O)C1=C(C2CCC1CC2)C(=O)Nc1sc2CCCCc2c1-c1ncccn1 |t:3,(1.36,-4.19,;2.9,-4.19,;3.67,-5.52,;3.67,-2.85,;2.9,-1.52,;3.67,-.19,;5.21,-.19,;5.98,-1.52,;5.21,-2.85,;4.82,-1.37,;4.07,-1.67,;1.36,-1.52,;.59,-2.85,;.59,-.19,;-.95,-.19,;-1.85,-1.43,;-3.32,-.96,;-4.65,-1.73,;-5.98,-.96,;-5.98,.58,;-4.65,1.35,;-3.32,.58,;-1.85,1.06,;-1.45,2.55,;.03,2.95,;.43,4.43,;-.66,5.52,;-2.14,5.12,;-2.54,3.64,)|

BDBM312270

OC(=O)C1=C(C2CCC1CC2)C(=O)Nc1sc2CCCCc2c1-c1ncon1 |t:3,(1.36,-3.87,;2.9,-3.87,;3.67,-5.2,;3.67,-2.54,;2.9,-1.2,;3.67,.13,;5.21,.13,;5.98,-1.2,;5.21,-2.54,;4.82,-1.05,;4.07,-1.36,;1.36,-1.2,;.59,-2.54,;.59,.13,;-.95,.13,;-1.85,-1.11,;-3.32,-.64,;-4.65,-1.41,;-5.98,-.64,;-5.98,.9,;-4.65,1.67,;-3.32,.9,;-1.85,1.38,;-1.08,2.71,;-1.99,3.96,;-1.08,5.2,;.38,4.73,;.38,3.19,)|

BDBM312271

Cc1noc(n1)-c1c(NC(=O)C(F)(F)C(F)(F)C(O)=O)sc2CCCCc12

BDBM312272

Cc1noc(n1)-c1c(NC(=O)N2CCC[C@@H]2C(O)=O)sc2CCCCc12 |r|

BDBM312273

CC(C)(C)c1noc(n1)-c1c(NC(=O)C2=C(C3CCC2CC3)C(O)=O)sc2CCCCc12 |t:15,(3.05,3.91,;1.72,4.68,;.95,6.02,;2.49,6.02,;.38,3.91,;-1.08,4.39,;-1.99,3.14,;-1.08,1.9,;.38,2.37,;-1.85,.56,;-.95,-.68,;.59,-.68,;1.36,-2.02,;.59,-3.35,;2.9,-2.02,;3.67,-3.35,;5.21,-3.35,;5.98,-2.02,;5.21,-.68,;3.67,-.68,;4.07,-2.17,;4.82,-1.86,;2.9,-4.68,;1.36,-4.68,;3.67,-6.02,;-1.85,-1.93,;-3.32,-1.45,;-4.65,-2.22,;-5.98,-1.45,;-5.98,.09,;-4.65,.86,;-3.32,.09,)|

BDBM312274

CC(C)(C)c1noc(n1)-c1c(NC(=O)C2=C(CCC2)C(O)=O)sc2CCCCc12 |t:15|

BDBM312275

CC1(C)CCc2sc(NC(=O)C3=C(CCC3)C(O)=O)c(c2C1)-c1ncccn1 |t:11|

BDBM312276

Cc1csc(n1)-c1c(NC(=O)C2=C(CCC2)C(O)=O)sc2CCC(C)(C)Cc12 |t:12|

BDBM312277

OC(=O)[C@H]1CCCN1C(=O)Nc1sc2CCCCc2c1-c1nc(no1)C1CC1 |r|

BDBM312278

Cc1csc(n1)-c1c(NC(=O)[C@H]2CC=CC[C@H]2C(O)=O)sc2CC(C)(C)CCc12 |r,c:14|

BDBM312279

Cc1csc(n1)-c1c(NC(=O)C2=C(CCC2)C(O)=O)sc2CC(C)(C)CCc12 |t:12|

BDBM312280

OC(=O)CC1CCCN1C(=O)Nc1sc2CCCCc2c1-c1nc(no1)C1CC1

BDBM312281

OC(=O)[C@H]1CCCCN1C(=O)Nc1sc2CCCCc2c1-c1nc(no1)C1CC1 |r|

BDBM312282

OC(=O)[C@H]1CCN1C(=O)Nc1sc2CCCCc2c1-c1nc(no1)C1CC1 |r|

BDBM312283

OC(=O)C1=C(C2CCC1CC2)C(=O)Nc1sc2CCCCc2c1-c1nc(no1)C1CC1 |t:3,(3.67,-6.25,;2.9,-4.92,;1.42,-5.32,;3.67,-3.59,;2.9,-2.25,;3.67,-.92,;5.21,-.92,;5.98,-2.25,;5.21,-3.59,;4.96,-2.1,;3.9,-2.43,;1.36,-2.25,;.59,-3.59,;.59,-.92,;-.95,-.92,;-1.85,-2.16,;-3.32,-1.69,;-4.65,-2.46,;-5.98,-1.69,;-5.98,-.15,;-4.65,.62,;-3.32,-.15,;-1.85,.33,;-1.08,1.66,;.38,2.14,;.38,3.68,;-1.08,4.15,;-1.99,2.91,;1.47,4.77,;2.96,5.16,;1.87,6.25,)|

BDBM312284

OC(=O)[C@@H]1CCCC[C@@H]1C(=O)Nc1sc2CCCCc2c1-c1nc(no1)C1CC1 |r|

BDBM312285

Cc1csc(n1)-c1c(NC(=O)C2C3CCC(C=C3)C2C(O)=O)sc2CC(C)(C)CCc12 |c:17,TLB:9:11:16.17:13.14,THB:19:18:16.17:13.14|

BDBM312286

Cc1csc(n1)-c1c(NC(=O)[C@H]2CCCC[C@@H]2C(O)=O)sc2CC(C)(C)CCc12 |r|

BDBM312287

Cc1noc(n1)-c1c(NC(=O)[C@H]2CCCC[C@@H]2C(O)=O)sc2CCCCc12 |r|

BDBM312288

Cc1noc(n1)-c1c(NC(=O)c2ccccc2C(O)=O)sc2CCCCc12

BDBM312289

COC1CCc2c(C1)sc(NC(=O)C1CC=CCC1C(O)=O)c2-c1nc(C)cs1 |c:16|

BDBM312290

Cc1csc(n1)-c1c(NC(=O)C2=C(CCC2)C(O)=O)sc2CCCCCc12 |t:12|

BDBM312291

Cc1noc(n1)-c1c(NC(=O)C2C3CCC(C=C3)C2C(O)=O)sc2CCCCc12 |c:17|

BDBM312292

CCc1noc(n1)-c1c2CCCCc2sc1NC(=O)C1=C(CCC1)C(O)=O |t:22|

BDBM312295

Cc1csc(n1)-c1c(NC(=O)c2ccccc2C(O)=O)sc2CC(C)(C)CCc12

BDBM312296

OC(=O)c1cccnc1C(=O)Nc1sc2CCCCc2c1-c1nc(no1)C1CC1

BDBM312297

Cn1ncc(C(=O)Nc2sc3CCCCc3c2-c2nc(no2)C2CC2)c1C(O)=O

BDBM312298

Cc1csc(n1)-c1c(NC(=O)[C@H]2CC=CC[C@H]2C(O)=O)sc2CCCCCc12 |r,c:14|

BDBM312299

Cc1csc(n1)-c1c(NC(=O)C2=C(C3CCC2CC3)C(O)=O)sc2CC(C)(C)CCc12 |t:12,TLB:19:12:14.15:17.18,THB:9:11:14.15:17.18,(2.38,5.35,;1.05,4.58,;-.41,5.06,;-1.32,3.81,;-.41,2.56,;1.05,3.04,;-1.18,1.23,;-.28,-.02,;1.26,-.02,;2.03,-1.35,;1.26,-2.68,;3.57,-1.35,;4.34,-2.68,;5.88,-2.68,;6.65,-1.35,;5.88,-.02,;4.34,-.02,;4.34,-1.16,;5.88,-1.16,;3.57,-4.02,;4.34,-5.35,;2.03,-4.02,;-1.18,-1.26,;-2.65,-.79,;-3.98,-1.56,;-5.32,-.79,;-6.65,-1.56,;-6.65,-.02,;-5.32,.75,;-3.98,1.52,;-2.65,.75,)|

BDBM312300

Cc1csc(n1)-c1c(NC(=O)[C@@H]2CCCC[C@H]2C(O)=O)sc2CCCCc12 |r|

BDBM312301

Cc1csc(n1)-c1c(NC(=O)C2=C(C3CCC2CC3)C(O)=O)sc2CCCCc12 |t:12,(1.72,5.35,;.38,4.58,;-1.08,5.06,;-1.99,3.81,;-1.08,2.56,;.38,3.04,;-1.85,1.23,;-.95,-.02,;.59,-.02,;1.36,-1.35,;.59,-2.68,;2.9,-1.35,;3.67,-2.68,;5.21,-2.68,;5.98,-1.35,;5.21,-.02,;3.67,-.02,;4.07,-1.5,;5.43,-1.5,;2.9,-4.02,;3.67,-5.35,;1.36,-4.02,;-1.85,-1.26,;-3.32,-.79,;-4.65,-1.56,;-5.98,-.79,;-5.98,.75,;-4.65,1.52,;-3.32,.75,)|

BDBM312302

COC1CCc2c(C1)sc(NC(=O)C1CCCCC1C(O)=O)c2-c1nc(C)cs1

BDBM312303

Cc1csc(n1)-c1c(NC(=O)C2=C(C3CCC2CC3)C(O)=O)sc2CCCCCc12 |t:12,TLB:19:12:14.15:17.18,THB:9:11:14.15:17.18,(2.07,5.35,;.74,4.58,;-.73,5.06,;-1.63,3.81,;-.73,2.56,;.74,3.04,;-1.5,1.23,;-.59,-.02,;.95,-.02,;1.72,-1.35,;.95,-2.68,;3.26,-1.35,;4.03,-2.68,;5.57,-2.68,;6.34,-1.35,;5.57,-.02,;4.03,-.02,;4.03,-1.34,;5.57,-1.34,;3.26,-4.02,;4.03,-5.35,;1.72,-4.02,;-1.5,-1.26,;-2.96,-.79,;-4.17,-1.75,;-5.67,-1.4,;-6.34,-.02,;-5.67,1.37,;-4.17,1.71,;-2.96,.75,)|

BDBM312304

Cc1csc(n1)-c1c(NC(=O)[C@H]2CCCC[C@@H]2C(O)=O)sc2CC3(CC3)CCc12 |r|

BDBM312305

OC(=O)[C@@H]1CCCN1C(=O)Nc1sc2CCCCc2c1-c1nc(no1)C1CC1 |r|

BDBM312306

Cc1csc(n1)-c1c(NC(=O)N2CCCC[C@@H]2C(O)=O)sc2CCCCCc12 |r|

BDBM312307

OC(=O)C1=C(CCC1)C(=O)Nc1sc2COCCc2c1-c1nc(no1)C1CC1 |t:3|

BDBM312308

Cc1csc(n1)-c1c(NC(=O)C2=C(C3CCC2CC3)C(O)=O)sc2COCCc12 |t:12,TLB:19:12:14.15:18.17,THB:9:11:14.15:18.17,(1.72,5.35,;.38,4.58,;-1.08,5.06,;-1.99,3.81,;-1.08,2.56,;.38,3.04,;-1.85,1.23,;-.95,-.02,;.59,-.02,;1.36,-1.35,;.59,-2.68,;2.9,-1.35,;3.67,-2.68,;5.21,-2.68,;5.98,-1.35,;5.21,-.02,;3.67,-.02,;3.67,-1.32,;5.21,-1.32,;2.9,-4.02,;3.67,-5.35,;1.36,-4.02,;-1.85,-1.26,;-3.32,-.79,;-4.65,-1.56,;-5.98,-.79,;-5.98,.75,;-4.65,1.52,;-3.32,.75,)|

BDBM312309

Cc1nc(oc1C)-c1c(NC(=O)C2=C(CCC2)C(O)=O)sc2COCCc12 |t:13|

BDBM312310

CC1(C)OC(C)(C)c2c1sc(NC(=O)C1=C(CCC1)C(O)=O)c2-c1nc(no1)C1CC1 |t:15|

BDBM312311

Cc1csc(n1)-c1c(NC(=O)C2=C(CCC2)C(O)=O)sc2COCCc12 |t:12|

BDBM312312

Cc1csc(n1)-c1c(NC(=O)C2=C(CCC2)C(O)=O)sc2CN(CCc12)C(=O)OC(C)(C)C |t:12|

BDBM312313

OC(=O)C1=C(CCC1)C(=O)Nc1sc2CCCCc2c1-c1nc(no1)C(F)(F)F |t:3|

BDBM312314

OC(=O)C1=C(C2CCC1CC2)C(=O)Nc1sc2CCCCc2c1-c1nc(no1)C(F)(F)F |t:3,(1.36,-4.68,;2.9,-4.68,;3.67,-6.02,;3.67,-3.35,;2.9,-2.02,;3.67,-.68,;5.21,-.68,;5.98,-2.02,;5.21,-3.35,;4.86,-1.94,;4.07,-2.17,;1.36,-2.02,;.59,-3.35,;.59,-.68,;-.95,-.68,;-1.85,-1.93,;-3.32,-1.45,;-4.65,-2.22,;-5.98,-1.45,;-5.98,.09,;-4.65,.86,;-3.32,.09,;-1.85,.56,;-1.08,1.9,;.38,2.37,;.38,3.91,;-1.08,4.39,;-1.99,3.14,;1.72,4.68,;3.05,3.91,;.95,6.02,;2.49,6.02,)|

BDBM312315

Cc1csc(n1)-c1c(NC(=O)C2CCCN2CC(O)=O)sc2CCCCc12

BDBM312316

OC(=O)C1=C(C2CCC1CC2)C(=O)Nc1sc2COCCc2c1-c1nc(no1)C1CC1 |t:3,(1.36,-4.68,;2.9,-4.68,;3.67,-6.02,;3.67,-3.35,;2.9,-2.02,;3.67,-.68,;5.21,-.68,;5.98,-2.02,;5.21,-3.35,;4.82,-1.86,;4.07,-2.17,;1.36,-2.02,;.59,-3.35,;.59,-.68,;-.95,-.68,;-1.85,-1.93,;-3.32,-1.45,;-4.65,-2.22,;-5.98,-1.45,;-5.98,.09,;-4.65,.86,;-3.32,.09,;-1.85,.56,;-1.08,1.9,;.38,2.37,;.38,3.91,;-1.08,4.39,;-1.99,3.14,;1.72,4.68,;3.26,4.68,;2.49,6.02,)|

BDBM312317

Cc1csc(n1)-c1c(NC(=O)C2=C(CCC2)C(O)=O)sc2CS(=O)(=O)CCc12 |t:12|

BDBM312318

Cc1csc(n1)-c1c(NC(=O)C2=C(CCCC2)C(O)=O)sc2COCCc12 |t:12|

BDBM312319

CC(C)c1noc(n1)-c1c(NC(=O)C2=C(CCC2)C(O)=O)sc2CCCCc12 |t:14|

BDBM312320

CC(C)c1noc(n1)-c1c(NC(=O)C2=C(C3CCC2CC3)C(O)=O)sc2CCCCc12 |t:14,(2.96,4.37,;1.47,4.77,;1.07,6.25,;.38,3.68,;-1.08,4.15,;-1.99,2.91,;-1.08,1.66,;.38,2.14,;-1.85,.33,;-.95,-.92,;.59,-.92,;1.36,-2.25,;.59,-3.59,;2.9,-2.25,;3.67,-3.59,;5.21,-3.59,;5.98,-2.25,;5.21,-.92,;3.67,-.92,;4.07,-2.41,;4.82,-2.1,;2.9,-4.92,;1.36,-4.92,;3.67,-6.25,;-1.85,-2.16,;-3.32,-1.69,;-4.65,-2.46,;-5.98,-1.69,;-5.98,-.15,;-4.65,.62,;-3.32,-.15,)|

BDBM312321

CC(C)c1noc(n1)-c1c(NC(=O)C2=C(CCC2)C(O)=O)sc2COCCc12 |t:14|

BDBM312322

CC(C)c1noc(n1)-c1c(NC(=O)C2=C(C3CCC2CC3)C(O)=O)sc2COCCc12 |t:14,(1.49,4.65,;.01,5.05,;-.39,6.53,;-1.08,3.96,;-2.62,3.96,;-3.1,2.49,;-1.85,1.59,;-.61,2.49,;-1.85,.05,;-.95,-1.2,;.59,-1.2,;1.36,-2.53,;.59,-3.87,;2.9,-2.53,;3.67,-3.87,;5.21,-3.87,;5.98,-2.53,;5.21,-1.2,;3.67,-1.2,;4.07,-2.69,;4.82,-2.38,;2.9,-5.2,;1.36,-5.2,;3.67,-6.53,;-1.85,-2.44,;-3.32,-1.97,;-4.65,-2.74,;-5.98,-1.97,;-5.98,-.43,;-4.65,.34,;-3.32,-.43,)|

BDBM312323

OC(=O)C1=C(CCC1)C(=O)Nc1sc2COCCc2c1-c1nc(no1)C(F)(F)F |t:3|

BDBM312324

Cc1noc(n1)-c1c2CCC3(COC3)Cc2sc1NC(=O)C1=C(CCC1)C(O)=O |t:25|

BDBM312325

Cc1noc(n1)-c1c(NC(=O)C2=C(C3CCC2CC3)C(O)=O)sc2CC3(COC3)CCc12 |t:12,(2.66,5.35,;1.33,4.58,;-.14,5.06,;-1.04,3.81,;-.14,2.56,;1.33,3.04,;-.91,1.23,;-0,-.02,;1.54,-.02,;2.31,-1.35,;1.54,-2.68,;3.85,-1.35,;4.62,-2.68,;6.16,-2.68,;6.93,-1.35,;6.16,-.02,;4.62,-.02,;4.92,-1.49,;5.72,-1.27,;3.85,-4.02,;2.31,-4.02,;4.62,-5.35,;-.91,-1.26,;-2.37,-.79,;-3.71,-1.56,;-5.04,-.79,;-6.53,-.39,;-6.93,-1.87,;-5.44,-2.27,;-5.04,.75,;-3.71,1.52,;-2.37,.75,)|

BDBM312326

Cc1csc(n1)-c1c2CCC3(COC3)Cc2sc1NC(=O)C1=C(CCC1)C(O)=O |t:25|

BDBM312327

CC(C)c1noc(n1)-c1c(NC(=O)[C@H]2CCCC[C@@H]2C(O)=O)sc2COCCc12 |r|

BDBM312328

CC(C)c1noc(n1)-c1c(NC(=O)[C@H]2CCCC[C@H]2C(O)=O)sc2COCCc12 |r|

BDBM312330

Cc1noc(n1)-c1c(NC(=O)C2=C(CCC2)C(O)=O)sc2CCC(C)(C)c12 |t:12|

BDBM312331

Cc1coc(n1)-c1c(NC(=O)C2=C(CCC2)C(O)=O)sc2COCCc12 |t:12|

BDBM312332

Cc1coc(n1)-c1c(NC(=O)C2=C(C3CCC2CC3)C(O)=O)sc2COCCc12 |t:12,(1.72,5.35,;.38,4.58,;-1.08,5.06,;-1.99,3.81,;-1.08,2.56,;.38,3.04,;-1.85,1.23,;-.95,-.02,;.59,-.02,;1.36,-1.35,;.59,-2.68,;2.9,-1.35,;3.67,-2.68,;5.21,-2.68,;5.98,-1.35,;5.21,-.02,;3.67,-.02,;4.07,-1.5,;4.82,-1.2,;2.9,-4.02,;1.36,-4.02,;3.67,-5.35,;-1.85,-1.26,;-3.32,-.79,;-4.65,-1.56,;-5.98,-.79,;-5.98,.75,;-4.65,1.52,;-3.32,.75,)|

BDBM312333

OC(=O)C1=C(C2CCC1CC2)C(=O)Nc1sc2ccccc2c1-c1nc(no1)C1CC1 |t:3,(1.36,-4.68,;2.9,-4.68,;3.67,-6.02,;3.67,-3.35,;2.9,-2.02,;3.67,-.68,;5.21,-.68,;5.98,-2.02,;5.21,-3.35,;4.82,-1.86,;4.07,-2.17,;1.36,-2.02,;.59,-3.35,;.59,-.68,;-.95,-.68,;-1.85,-1.93,;-3.32,-1.45,;-4.65,-2.22,;-5.98,-1.45,;-5.98,.09,;-4.65,.86,;-3.32,.09,;-1.85,.56,;-1.08,1.9,;.38,2.37,;.38,3.91,;-1.08,4.39,;-1.99,3.14,;1.72,4.68,;3.26,4.68,;2.49,6.02,)|

BDBM312334

OC(=O)C1=C(CCC1)C(=O)Nc1sc2CS(=O)(=O)CCc2c1-c1nc(no1)C(F)(F)F |t:3|

BDBM312335

Cc1noc(n1)-c1c(NC(=O)CC(C)(C)C(O)=O)sc2CCCCc12

BDBM312336

CC1(C)Cc2c(CO1)sc(NC(=O)C1=C(CCC1)C(O)=O)c2-c1nc(no1)C1CC1 |t:14|

BDBM312337

CC1(C)Cc2c(CO1)sc(NC(=O)C1=C(CCCC1)C(O)=O)c2-c1nc(no1)C1CC1 |t:14|

BDBM312338

OC(=O)C1=C(CCC1)C(=O)Nc1sc2CCCCc2c1-c1nc(cs1)C(F)(F)F |t:3|

BDBM312340

OC(=O)C1=C(CCCC1)C(=O)Nc1sc2CCCCc2c1-c1nc(cs1)C(F)(F)F |t:3|

BDBM312341

OC(=O)C1=C(C2CCC1CC2)C(=O)Nc1sc2CCCCc2c1-c1nc(cs1)C(F)(F)F |t:3,(1.36,-4.68,;2.9,-4.68,;3.67,-6.02,;3.67,-3.35,;2.9,-2.02,;3.67,-.68,;5.21,-.68,;5.98,-2.02,;5.21,-3.35,;4.82,-1.86,;4.07,-2.17,;1.36,-2.02,;.59,-3.35,;.59,-.68,;-.95,-.68,;-1.85,-1.93,;-3.32,-1.45,;-4.65,-2.22,;-5.98,-1.45,;-5.98,.09,;-4.65,.86,;-3.32,.09,;-1.85,.56,;-1.08,1.9,;.38,2.37,;.38,3.91,;-1.08,4.39,;-1.99,3.14,;1.72,4.68,;3.05,3.91,;.95,6.02,;2.49,6.02,)|

BDBM312342

CC1CCc2c(C1)sc(NC(=O)C1=C(CCC1)C(O)=O)c2-c1nc(no1)C1CC1 |t:13|

BDBM312343

OC(=O)C1=C(CCC1)C(=O)Nc1sc2COCCc2c1-c1nc(cs1)C(F)(F)F |t:3|

BDBM312344

OC(=O)C1=C(CCCC1)C(=O)Nc1sc2COCCc2c1-c1nc(cs1)C(F)(F)F |t:3|

BDBM312345

OC(=O)C1=C(C2CCC1CC2)C(=O)Nc1sc2COCCc2c1-c1nc(cs1)C(F)(F)F |t:3,(1.36,-4.68,;2.9,-4.68,;3.67,-6.02,;3.67,-3.35,;2.9,-2.02,;3.67,-.68,;5.21,-.68,;5.98,-2.02,;5.21,-3.35,;3.88,-2.58,;5.01,-1.45,;1.36,-2.02,;.59,-3.35,;.59,-.68,;-.95,-.68,;-1.85,-1.93,;-3.32,-1.45,;-4.65,-2.22,;-5.98,-1.45,;-5.98,.09,;-4.65,.86,;-3.32,.09,;-1.85,.56,;-1.08,1.9,;.38,2.37,;.38,3.91,;-1.08,4.39,;-1.99,3.14,;1.72,4.68,;3.05,3.91,;.95,6.02,;2.49,6.02,)|

BDBM312346

CC1CCc2c(C1)sc(NC(=O)C1=C(CCCC1)C(O)=O)c2-c1nc(no1)C1CC1 |t:13|

BDBM312347

CC1CCc2c(C1)sc(NC(=O)C1=C(C3CCC1CC3)C(O)=O)c2-c1nc(no1)C1CC1 |t:13,(-6.65,-2.22,;-5.32,-1.45,;-5.32,.09,;-3.98,.86,;-2.65,.09,;-2.65,-1.45,;-3.98,-2.22,;-1.18,-1.93,;-.28,-.68,;1.26,-.68,;2.03,-2.02,;1.26,-3.35,;3.57,-2.02,;4.34,-3.35,;5.88,-3.35,;6.65,-2.02,;5.88,-.68,;4.34,-.68,;5.67,-1.45,;4.55,-2.58,;3.57,-4.68,;2.03,-4.68,;4.34,-6.02,;-1.18,.56,;-.41,1.9,;1.05,2.37,;1.05,3.91,;-.41,4.39,;-1.32,3.14,;2.38,4.68,;3.92,4.68,;3.15,6.02,)|

BDBM312348

Cc1noc(n1)-c1c(NC(=O)C2=C(CCCC2)C(O)=O)sc2CCC(C)(C)c12 |t:12|

BDBM312349

Cc1noc(n1)-c1c(NC(=O)C2=C(C3CCC2CC3)C(O)=O)sc2CCC(C)(C)c12 |t:12,(1.57,5.35,;.23,4.58,;-1.23,5.06,;-2.14,3.81,;-1.23,2.56,;.23,3.04,;-2,1.23,;-1.1,-.02,;.44,-.02,;1.21,-1.35,;.44,-2.68,;2.75,-1.35,;3.52,-2.68,;5.06,-2.68,;5.83,-1.35,;5.06,-.02,;3.52,-.02,;3.92,-1.5,;4.67,-1.2,;2.75,-4.02,;1.21,-4.02,;3.52,-5.35,;-2,-1.26,;-3.46,-.79,;-4.93,-1.26,;-5.83,-.02,;-4.93,1.23,;-5.7,2.56,;-4.16,2.56,;-3.46,.75,)|

BDBM312350

OC(=O)C1=C(CCC1)C(=O)Nc1sc2COCCc2c1-c1nc(cs1)C1CC1 |t:3|

BDBM312351

OC(=O)C1=C(C2CCC1CC2)C(=O)Nc1sc2COCCc2c1-c1nc(cs1)C1CC1 |t:3,(1.36,-4.68,;2.9,-4.68,;3.67,-6.02,;3.67,-3.35,;2.9,-2.02,;3.67,-.68,;5.21,-.68,;5.98,-2.02,;5.21,-3.35,;3.88,-2.58,;5.01,-1.45,;1.36,-2.02,;.59,-3.35,;.59,-.68,;-.95,-.68,;-1.85,-1.93,;-3.32,-1.45,;-4.65,-2.22,;-5.98,-1.45,;-5.98,.09,;-4.65,.86,;-3.32,.09,;-1.85,.56,;-1.08,1.9,;.38,2.37,;.38,3.91,;-1.08,4.39,;-1.99,3.14,;1.72,4.68,;3.26,4.68,;2.49,6.02,)|

BDBM312352

CC1(C)Cc2c(CO1)sc(NC(=O)C1=C(C3CCC1CC3)C(O)=O)c2-c1nc(no1)C1CC1 |t:14,(-6.65,.86,;-5.32,.09,;-6.65,-.68,;-3.98,.86,;-2.65,.09,;-2.65,-1.45,;-3.98,-2.22,;-5.32,-1.45,;-1.18,-1.93,;-.28,-.68,;1.26,-.68,;2.03,-2.02,;1.26,-3.35,;3.57,-2.02,;4.34,-3.35,;5.88,-3.35,;6.65,-2.02,;5.88,-.68,;4.34,-.68,;5.67,-1.45,;4.55,-2.58,;3.57,-4.68,;2.03,-4.68,;4.34,-6.02,;-1.18,.56,;-.41,1.9,;1.05,2.37,;1.05,3.91,;-.41,4.39,;-1.32,3.14,;2.38,4.68,;3.92,4.68,;3.15,6.02,)|

BDBM312353

Cc1noc(n1)-c1c(NC(=O)CC(C)(C)CC(O)=O)sc2CCCCc12

BDBM312354

Cc1noc(n1)-c1c(NC(=O)C2=C(CCCC2)C(O)=O)sc2COCCc12 |t:12|

BDBM312355

Cc1nc(sc1C)-c1c(NC(=O)C2=C(CCC2)C(O)=O)sc2COCCc12 |t:13|

BDBM312356

CC1(C)CCCc2sc(NC(=O)C3=C(CCC3)C(O)=O)c(-c3nc(no3)C3CC3)c12 |t:12|

BDBM312357

CC1(C)CCCc2sc(NC(=O)C3=C(C4CCC3CC4)C(O)=O)c(-c3nc(no3)C3CC3)c12 |t:12,(-5.42,2.19,;-4.65,.86,;-3.88,2.19,;-5.98,.09,;-5.98,-1.45,;-4.65,-2.22,;-3.32,-1.45,;-1.85,-1.93,;-.95,-.68,;.59,-.68,;1.36,-2.02,;.59,-3.35,;2.9,-2.02,;3.67,-3.35,;5.21,-3.35,;5.98,-2.02,;5.21,-.68,;3.67,-.68,;4.07,-2.17,;4.82,-1.86,;2.9,-4.68,;1.36,-4.68,;3.67,-6.02,;-1.85,.56,;-1.08,1.9,;.38,2.37,;.38,3.91,;-1.08,4.39,;-1.99,3.14,;1.72,4.68,;3.26,4.68,;2.49,6.02,;-3.32,.09,)|

BDBM312358

Cc1noc(n1)-c1c(NC(=O)C2=C(C3CCC2CC3)C(O)=O)sc2COCCc12 |t:12,(1.72,5.35,;.38,4.58,;-1.08,5.06,;-1.99,3.81,;-1.08,2.56,;.38,3.04,;-1.85,1.23,;-.95,-.02,;.59,-.02,;1.36,-1.35,;.59,-2.68,;2.9,-1.35,;3.67,-2.68,;5.21,-2.68,;5.98,-1.35,;5.21,-.02,;3.67,-.02,;4.07,-1.5,;4.82,-1.2,;2.9,-4.02,;1.36,-4.02,;3.67,-5.35,;-1.85,-1.26,;-3.32,-.79,;-4.65,-1.56,;-5.98,-.79,;-5.98,.75,;-4.65,1.52,;-3.32,.75,)|

BDBM312359

Cc1noc(n1)-c1c(NC(=O)C2=C(CCC2)C(O)=O)sc2COCCc12 |t:12|

BDBM312360

OC(=O)[C@@H]1CCCC[C@@H]1C(=O)Nc1sc2COCCc2c1-c1nc(no1)C(F)(F)F |r|

BDBM312361

OC(=O)C1=C(CCCC1)C(=O)Nc1sc2COCCc2c1-c1nc(cs1)C1CC1 |t:3|

BDBM312362

C[C@@H]1CCc2c(C1)sc(NC(=O)C1=C(CCCC1)C(O)=O)c2-c1nc(no1)C1CC1 |r,t:13|

BDBM312363

C[C@H]1CCc2c(C1)sc(NC(=O)C1=C(CCCC1)C(O)=O)c2-c1nc(no1)C1CC1 |r,t:13|

BDBM312364

COCCc1noc(n1)-c1c(NC(=O)C2=C(CCCC2)C(O)=O)sc2COCCc12 |t:15|

BDBM312365

COCCc1noc(n1)-c1c(NC(=O)C2=C(C3CCC2CC3)C(O)=O)sc2COCCc12 |t:15,(5.72,4.58,;4.38,5.35,;3.05,4.58,;1.72,5.35,;.38,4.58,;-1.08,5.06,;-1.99,3.81,;-1.08,2.56,;.38,3.04,;-1.85,1.23,;-.95,-.02,;.59,-.02,;1.36,-1.35,;.59,-2.68,;2.9,-1.35,;3.67,-2.68,;5.21,-2.68,;5.98,-1.35,;5.21,-.02,;3.67,-.02,;4.07,-1.5,;4.82,-1.2,;2.9,-4.02,;1.36,-4.02,;3.67,-5.35,;-1.85,-1.26,;-3.32,-.79,;-4.65,-1.56,;-5.98,-.79,;-5.98,.75,;-4.65,1.52,;-3.32,.75,)|

BDBM312366

COC(=O)[C@@]12C[C@@]1(CCC2)C(=O)Nc1sc2CCCCc2c1-c1nc(C)no1 |r|

BDBM312367

Cc1noc(n1)-c1c2CCCCc2sc1NC(=O)[C@]12C[C@]1(CCC2)C(O)=O |r|

BDBM312368

OC(=O)[C@@H]1CCCC[C@H]1C(=O)Nc1sc2COCCc2c1-c1nc(no1)C(F)(F)F |r|

BDBM312370

OC(=O)[C@H]1CCCC[C@H]1C(=O)Nc1sc2COCCc2c1-c1nc(no1)C(F)(F)F |r|

BDBM312372

OC(=O)C1=C(CCC1)C(=O)Nc1sc2C3CCC(C3)c2c1-c1nc(no1)C1CC1 |t:3|

BDBM312373

COCCc1noc(n1)-c1c2CCOCc2sc1NC(=O)C1=C(CCC1)C(O)=O |t:24|

BDBM312374

Cc1noc(n1)-c1c(NC(=O)C2=C(CCC2)C(O)=O)sc2CCCCCc12 |t:12|

BDBM312375

Cc1noc(n1)-c1c(NC(=O)C2=C(CCCC2)C(O)=O)sc2CCCCCc12 |t:12|

BDBM312376

Cc1noc(n1)-c1c(NC(=O)C2=C(C3CCC2CC3)C(O)=O)sc2CCCCCc12 |t:12,(2.07,5.35,;.74,4.58,;-.73,5.06,;-1.63,3.81,;-.73,2.56,;.74,3.04,;-1.5,1.23,;-.59,-.02,;.95,-.02,;1.72,-1.35,;.95,-2.68,;3.26,-1.35,;4.03,-2.68,;5.57,-2.68,;6.34,-1.35,;5.57,-.02,;4.03,-.02,;5.36,-.79,;4.23,-1.91,;3.26,-4.02,;1.72,-4.02,;4.03,-5.35,;-1.5,-1.26,;-2.96,-.79,;-4.17,-1.75,;-5.67,-1.4,;-6.34,-.02,;-5.67,1.37,;-4.17,1.71,;-2.96,.75,)|

BDBM312377

OC(=O)C1=C(CCC1)C(=O)Nc1sc2CCCCCc2c1-c1nc(no1)C1CC1 |t:3|

BDBM312378

OC(=O)C1=C(CCCC1)C(=O)Nc1sc2CCCCCc2c1-c1nc(no1)C1CC1 |t:3|

BDBM312379

OC(=O)C1=C(C2CCC1CC2)C(=O)Nc1sc2CCCCCc2c1-c1nc(no1)C1CC1 |t:3,(1.72,-4.41,;3.26,-4.41,;4.03,-5.74,;4.03,-3.07,;3.26,-1.74,;4.03,-.41,;5.57,-.41,;6.34,-1.74,;5.57,-3.07,;4.23,-2.3,;5.36,-1.18,;1.72,-1.74,;.95,-3.07,;.95,-.41,;-.59,-.41,;-1.5,-1.65,;-2.96,-1.18,;-4.17,-2.14,;-5.67,-1.79,;-6.34,-.41,;-5.67,.98,;-4.17,1.32,;-2.96,.36,;-1.5,.84,;-.73,2.17,;.81,2.17,;1.29,3.64,;.04,4.54,;-1.2,3.64,;2.62,4.41,;4.16,4.41,;3.39,5.74,)|

BDBM312380

OC(=O)C1=C(CCC1)C(=O)Nc1sc2CCCCCc2c1-c1nc(no1)C(F)(F)F |t:3|

BDBM312381

OC(=O)C1=C(CCCC1)C(=O)Nc1sc2CCCCCc2c1-c1nc(no1)C(F)(F)F |t:3|

BDBM312382

OC(=O)C1=C(C2CCC1CC2)C(=O)Nc1sc2CCCCCc2c1-c1nc(no1)C(F)(F)F |t:3,(1.72,-4.41,;3.26,-4.41,;4.03,-5.74,;4.03,-3.07,;3.26,-1.74,;4.03,-.41,;5.57,-.41,;6.34,-1.74,;5.57,-3.07,;4.23,-2.3,;5.36,-1.18,;1.72,-1.74,;.95,-3.07,;.95,-.41,;-.59,-.41,;-1.5,-1.65,;-2.96,-1.18,;-4.17,-2.14,;-5.67,-1.79,;-6.34,-.41,;-5.67,.98,;-4.17,1.32,;-2.96,.36,;-1.5,.84,;-.73,2.17,;.81,2.17,;1.29,3.64,;.04,4.54,;-1.2,3.64,;2.62,4.41,;3.95,3.64,;3.39,5.74,;1.85,5.74,)|

BDBM312383

Cc1noc(n1)-c1c(NC(=O)C2=C(CCC2)C(O)=O)sc2CCCc12 |t:12|

BDBM312384

Cc1noc(n1)-c1c(NC(=O)C2=C(CCCC2)C(O)=O)sc2CCCc12 |t:12|

BDBM312385

Cc1noc(n1)-c1c(NC(=O)C2=C(C3CCC2CC3)C(O)=O)sc2CCCc12 |t:12,(2.12,5.01,;.79,4.24,;-.46,5.14,;-1.71,4.24,;-1.23,2.77,;.31,2.77,;-2,1.44,;-1.1,.19,;.44,.19,;1.21,-1.14,;.44,-2.47,;2.75,-1.14,;3.52,-2.47,;5.06,-2.47,;5.83,-1.14,;5.06,.19,;3.52,.19,;4.86,-.58,;3.73,-1.7,;2.75,-3.81,;1.21,-3.81,;3.52,-5.14,;-2,-1.05,;-3.47,-.58,;-4.93,-1.05,;-5.83,.19,;-4.93,1.44,;-3.47,.96,)|

BDBM312386

OC(=O)C1=C(CCC1)C(=O)Nc1sc2CCCc2c1-c1nc(no1)C1CC1 |t:3|

BDBM312387

OC(=O)C1=C(CCCC1)C(=O)Nc1sc2CCCc2c1-c1nc(no1)C1CC1 |t:3|

BDBM312388

OC(=O)C1=C(C2CCC1CC2)C(=O)Nc1sc2CCCc2c1-c1nc(no1)C1CC1 |t:3,(1.21,-4.41,;2.75,-4.41,;3.52,-5.74,;3.52,-3.07,;2.75,-1.74,;3.52,-.41,;5.06,-.41,;5.83,-1.74,;5.06,-3.07,;3.73,-2.3,;4.86,-1.18,;1.21,-1.74,;.44,-3.07,;.44,-.41,;-1.1,-.41,;-2,-1.65,;-3.47,-1.18,;-4.93,-1.65,;-5.83,-.41,;-4.93,.84,;-3.47,.36,;-2,.84,;-1.23,2.17,;.31,2.17,;.79,3.64,;-.46,4.54,;-1.71,3.64,;2.12,4.41,;3.66,4.41,;2.89,5.74,)|

BDBM312389

OC(=O)C1=C(CCC1)C(=O)Nc1sc2CCCc2c1-c1nc(no1)C(F)(F)F |t:3|

BDBM312390

OC(=O)C1=C(CCCC1)C(=O)Nc1sc2CCCc2c1-c1nc(no1)C(F)(F)F |t:3|

BDBM312391

OC(=O)C1=C(C2CCC1CC2)C(=O)Nc1sc2CCCc2c1-c1nc(no1)C(F)(F)F |t:3,(1.21,-4.68,;2.75,-4.68,;3.52,-6.02,;3.52,-3.35,;2.75,-2.02,;3.52,-.68,;5.06,-.68,;5.83,-2.02,;5.06,-3.35,;3.73,-2.58,;4.86,-1.45,;1.21,-2.02,;.44,-3.35,;.44,-.68,;-1.1,-.68,;-2,-1.93,;-3.47,-1.45,;-4.93,-1.93,;-5.83,-.68,;-4.93,.56,;-3.47,.09,;-2,.56,;-1.23,1.9,;.23,2.37,;.23,3.91,;-1.23,4.39,;-2.14,3.14,;1.57,4.68,;2.9,3.91,;.8,6.02,;2.34,6.02,)|

BDBM312392

Cc1csc(n1)-c1c(NC(=O)C2=C(CCC2)C(O)=O)sc2CCCc12 |t:12|

BDBM312393

Cc1csc(n1)-c1c(NC(=O)C2=C(CCCC2)C(O)=O)sc2CCCc12 |t:12|

BDBM312394

Cc1csc(n1)-c1c(NC(=O)C2=C(C3CCC2CC3)C(O)=O)sc2CCCc12 |t:12,(2.12,5.01,;.79,4.24,;-.46,5.14,;-1.71,4.24,;-1.23,2.77,;.31,2.77,;-2,1.44,;-1.1,.19,;.44,.19,;1.21,-1.14,;.44,-2.47,;2.75,-1.14,;3.52,-2.47,;5.06,-2.47,;5.83,-1.14,;5.06,.19,;3.52,.19,;4.86,-.58,;3.73,-1.7,;2.75,-3.81,;1.21,-3.81,;3.52,-5.14,;-2,-1.05,;-3.47,-.58,;-4.93,-1.05,;-5.83,.19,;-4.93,1.44,;-3.47,.96,)|

BDBM312395

Cc1noc(n1)-c1c2CCC(F)(F)Cc2sc1NC(=O)C1=C(CCC1)C(O)=O |t:23|

BDBM312396

Cc1noc(n1)-c1c(NC(=O)C2=C(CCCC2)C(O)=O)sc2CC(F)(F)CCc12 |t:12|

BDBM312397

Cc1noc(n1)-c1c(NC(=O)C2=C(C3CCC2CC3)C(O)=O)sc2CC(F)(F)CCc12 |t:12,(2.93,5.01,;1.6,4.24,;.36,5.14,;-.89,4.24,;-.41,2.77,;1.13,2.77,;-1.18,1.44,;-.28,.19,;1.26,.19,;2.03,-1.14,;1.26,-2.47,;3.57,-1.14,;4.34,-2.47,;5.88,-2.47,;6.65,-1.14,;5.88,.19,;4.34,.19,;5.67,-.58,;4.55,-1.7,;3.57,-3.81,;2.03,-3.81,;4.34,-5.14,;-1.18,-1.05,;-2.65,-.58,;-3.98,-1.35,;-5.32,-.58,;-6.65,.19,;-6.65,-1.35,;-5.32,.96,;-3.98,1.73,;-2.65,.96,)|

BDBM312398

OC(=O)C1=C(CCC1)C(=O)Nc1sc2CC(F)(F)CCc2c1-c1nc(no1)C1CC1 |t:3|

BDBM312399

OC(=O)C1=C(CCCC1)C(=O)Nc1sc2CC(F)(F)CCc2c1-c1nc(no1)C1CC1 |t:3|

BDBM312400

OC(=O)C1=C(C2CCC1CC2)C(=O)Nc1sc2CC(F)(F)CCc2c1-c1nc(no1)C1CC1 |t:3,(2.03,-4.41,;3.57,-4.41,;4.34,-5.74,;4.34,-3.07,;3.57,-1.74,;4.34,-.41,;5.88,-.41,;6.65,-1.74,;5.88,-3.07,;4.59,-2.27,;5.67,-1.18,;2.03,-1.74,;1.26,-3.07,;1.26,-.41,;-.28,-.41,;-1.18,-1.65,;-2.65,-1.18,;-3.98,-1.95,;-5.32,-1.18,;-6.65,-1.95,;-6.65,-.41,;-5.32,.36,;-3.98,1.13,;-2.65,.36,;-1.18,.84,;-.41,2.17,;1.13,2.17,;1.6,3.64,;.36,4.54,;-.89,3.64,;2.93,4.41,;4.47,4.41,;3.7,5.74,)|

BDBM312401

OC(=O)C1=C(CCC1)C(=O)Nc1sc2CC(F)(F)CCc2c1-c1nc(no1)C(F)(F)F |t:3|

BDBM312402

OC(=O)C1=C(CCCC1)C(=O)Nc1sc2CC(F)(F)CCc2c1-c1nc(no1)C(F)(F)F |t:3|

BDBM312404

Cc1csc(n1)-c1c2CCC(F)(F)Cc2sc1NC(=O)C1=C(CCC1)C(O)=O |t:23|

BDBM312405

Cc1csc(n1)-c1c(NC(=O)C2=C(CCCC2)C(O)=O)sc2CC(F)(F)CCc12 |t:12|

BDBM312406

Cc1csc(n1)-c1c(NC(=O)C2=C(C3CCC2CC3)C(O)=O)sc2CC(F)(F)CCc12 |t:12,(2.38,5.35,;1.05,4.58,;-.41,5.06,;-1.32,3.81,;-.41,2.56,;1.05,3.04,;-1.18,1.23,;-.28,-.02,;1.26,-.02,;2.03,-1.35,;1.26,-2.68,;3.57,-1.35,;4.34,-2.68,;5.88,-2.68,;6.65,-1.35,;5.88,-.02,;4.34,-.02,;5.67,-.79,;4.59,-1.87,;3.57,-4.02,;2.03,-4.02,;4.34,-5.35,;-1.18,-1.26,;-2.65,-.79,;-3.98,-1.56,;-5.32,-.79,;-6.65,-1.56,;-6.65,-.02,;-5.32,.75,;-3.98,1.52,;-2.65,.75,)|

BDBM312408

OC(=O)[C@H]1CCCC[C@@H]1C(=O)Nc1sc2CC(F)(F)CCc2c1-c1nc(no1)C1CC1 |r|

BDBM312409

Cc1csc(n1)-c1c(NC(=O)[C@H]2CCCC[C@H]2C(O)=O)sc2CC(F)(F)CCc12 |r|

BDBM312410

Cc1csc(n1)-c1c(NC(=O)[C@H]2CCCC[C@@H]2C(O)=O)sc2CC(F)(F)CCc12 |r|

BDBM312411

OC(=O)[C@@H]1CCCC[C@@H]1C(=O)Nc1sc2CCCCCc2c1-c1nc(no1)C1CC1 |r|

BDBM312412

OC(=O)[C@H]1CCCC[C@@H]1C(=O)Nc1sc2CCCCCc2c1-c1nc(no1)C1CC1 |r|

BDBM312413

Cc1csc(n1)-c1c(NC(=O)[C@H]2CCCC[C@H]2C(O)=O)sc2CCCCCc12 |r|

BDBM312414

Cc1csc(n1)-c1c(NC(=O)[C@H]2CCCC[C@@H]2C(O)=O)sc2CCCCCc12 |r|

BDBM312415

OC(=O)[C@@H]1CCCC[C@@H]1C(=O)Nc1sc2CCCc2c1-c1nc(no1)C1CC1 |r|

BDBM312416

OC(=O)[C@H]1CCCC[C@@H]1C(=O)Nc1sc2CCCc2c1-c1nc(no1)C1CC1 |r|

BDBM312417

Cc1csc(n1)-c1c(NC(=O)[C@H]2CCCC[C@H]2C(O)=O)sc2CCCc12 |r|

BDBM312418

Cc1csc(n1)-c1c(NC(=O)[C@H]2CCCC[C@@H]2C(O)=O)sc2CCCc12 |r|

BDBM312420

CCC1CCc2c(C1)sc(NC(=O)C1=C(CCC1)C(O)=O)c2-c1nc(no1)C1CC1 |t:14|

BDBM312421

CC[C@H]1CCc2c(C1)sc(NC(=O)C1=C(CCC1)C(O)=O)c2-c1nc(no1)C1CC1 |r,t:14|

BDBM312422

CC[C@@H]1CCc2c(C1)sc(NC(=O)C1=C(CCC1)C(O)=O)c2-c1nc(no1)C1CC1 |r,t:14|

BDBM312423

CCC1CCc2c(C1)sc(NC(=O)C1=C(C3CCC1CC3)C(O)=O)c2-c1nc(no1)C1CC1 |t:14,(-7.32,-1.45,;-5.98,-2.22,;-4.65,-1.45,;-4.65,.09,;-3.32,.86,;-1.98,.09,;-1.98,-1.45,;-3.32,-2.22,;-.52,-1.93,;.39,-.68,;1.93,-.68,;2.7,-2.02,;1.93,-3.35,;4.24,-2.02,;5.01,-3.35,;6.55,-3.35,;7.32,-2.02,;6.55,-.68,;5.01,-.68,;6.34,-1.45,;5.25,-2.54,;4.24,-4.68,;2.7,-4.68,;5.01,-6.02,;-.52,.56,;.25,1.9,;1.72,2.37,;1.72,3.91,;.25,4.39,;-.65,3.14,;3.05,4.68,;4.59,4.68,;3.82,6.02,)|

BDBM312424

CC[C@H]1CCc2c(C1)sc(NC(=O)C1=C(C3CCC1CC3)C(O)=O)c2-c1nc(no1)C1CC1 |r,wU:2.1,t:14,(-6.89,-8.62,;-5.56,-9.39,;-4.23,-8.62,;-4.23,-7.08,;-2.89,-6.31,;-1.56,-7.08,;-1.56,-8.62,;-2.89,-9.39,;-.09,-9.09,;.81,-7.85,;2.35,-7.85,;3.12,-9.18,;2.35,-10.51,;4.66,-9.18,;5.43,-10.51,;6.97,-10.51,;7.74,-9.18,;6.97,-7.85,;5.43,-7.85,;6.76,-8.62,;5.68,-9.71,;4.66,-11.85,;3.12,-11.85,;5.43,-13.18,;-.09,-6.6,;.68,-5.27,;2.14,-4.79,;2.14,-3.25,;.68,-2.78,;-.23,-4.02,;3.47,-2.48,;5.01,-2.48,;4.24,-1.15,)|

BDBM312425

CC[C@@H]1CCc2c(C1)sc(NC(=O)C1=C(C3CCC1CC3)C(O)=O)c2-c1nc(no1)C1CC1 |r,wD:2.1,t:14,(-6.89,-8.62,;-5.56,-9.39,;-4.23,-8.62,;-4.23,-7.08,;-2.89,-6.31,;-1.56,-7.08,;-1.56,-8.62,;-2.89,-9.39,;-.09,-9.09,;.81,-7.85,;2.35,-7.85,;3.12,-9.18,;2.35,-10.51,;4.66,-9.18,;5.43,-10.51,;6.97,-10.51,;7.74,-9.18,;6.97,-7.85,;5.43,-7.85,;6.76,-8.62,;5.68,-9.71,;4.66,-11.85,;3.12,-11.85,;5.43,-13.18,;-.09,-6.6,;.68,-5.27,;2.14,-4.79,;2.14,-3.25,;.68,-2.78,;-.23,-4.02,;3.47,-2.48,;5.01,-2.48,;4.24,-1.15,)|

BDBM312426

OC(=O)C1=C(CCC1)C(=O)Nc1sc2CC(CCc2c1-c1nc(no1)C1CC1)C(F)(F)F |t:3|

BDBM312427

OC(=O)C1=C(CCC1)C(=O)Nc1sc2C[C@H](CCc2c1-c1nc(no1)C1CC1)C(F)(F)F |r,t:3|

BDBM312428

OC(=O)C1=C(CCC1)C(=O)Nc1sc2C[C@@H](CCc2c1-c1nc(no1)C1CC1)C(F)(F)F |r,t:3|

BDBM312429

OC(=O)C1=C(CCCC1)C(=O)Nc1sc2CC(CCc2c1-c1nc(no1)C1CC1)C(F)(F)F |t:3|

BDBM312430

OC(=O)C1=C(C2CCC1CC2)C(=O)Nc1sc2CC(CCc2c1-c1nc(no1)C1CC1)C(F)(F)F |t:3,(2.7,-4.76,;4.24,-4.76,;5.01,-6.09,;5.01,-3.43,;4.24,-2.09,;5.01,-.76,;6.55,-.76,;7.32,-2.09,;6.55,-3.43,;5.42,-2.43,;6.01,-1.85,;2.7,-2.09,;1.93,-3.43,;1.93,-.76,;.39,-.76,;-.52,-2,;-1.98,-1.53,;-3.32,-2.3,;-4.65,-1.53,;-4.65,.01,;-3.32,.78,;-1.98,.01,;-.52,.49,;.25,1.82,;1.72,2.3,;1.72,3.84,;.25,4.31,;-.65,3.07,;3.05,4.61,;4.54,5,;3.45,6.09,;-5.98,-2.3,;-7.32,-1.53,;-5.98,-3.84,;-7.32,-3.07,)|

BDBM312431

OC(=O)C1=C(C2CCC1CC2)C(=O)Nc1sc2C[C@H](CCc2c1-c1nc(no1)C1CC1)C(F)(F)F |r,wU:18.36,t:3,(3.12,-13.93,;4.66,-13.93,;5.43,-15.26,;5.43,-12.59,;4.66,-11.26,;5.43,-9.93,;6.97,-9.93,;7.74,-11.26,;6.97,-12.59,;5.84,-11.59,;6.43,-11.02,;3.12,-11.26,;2.35,-12.59,;2.35,-9.93,;.81,-9.93,;-.1,-11.17,;-1.56,-10.7,;-2.9,-11.47,;-4.23,-10.7,;-4.23,-9.16,;-2.9,-8.39,;-1.56,-9.16,;-.1,-8.68,;.67,-7.35,;2.14,-6.87,;2.14,-5.33,;.67,-4.86,;-.23,-6.1,;3.47,-4.56,;4.96,-4.16,;3.87,-3.07,;-5.56,-11.47,;-6.9,-10.7,;-5.56,-13.01,;-6.9,-12.24,)|

BDBM312432

OC(=O)C1=C(C2CCC1CC2)C(=O)Nc1sc2C[C@@H](CCc2c1-c1nc(no1)C1CC1)C(F)(F)F |r,wD:18.36,t:3,(3.12,-13.93,;4.66,-13.93,;5.43,-15.26,;5.43,-12.59,;4.66,-11.26,;5.43,-9.93,;6.97,-9.93,;7.74,-11.26,;6.97,-12.59,;5.84,-11.59,;6.43,-11.02,;3.12,-11.26,;2.35,-12.59,;2.35,-9.93,;.81,-9.93,;-.1,-11.17,;-1.56,-10.7,;-2.9,-11.47,;-4.23,-10.7,;-4.23,-9.16,;-2.9,-8.39,;-1.56,-9.16,;-.1,-8.68,;.67,-7.35,;2.14,-6.87,;2.14,-5.33,;.67,-4.86,;-.23,-6.1,;3.47,-4.56,;4.96,-4.16,;3.87,-3.07,;-5.56,-11.47,;-6.9,-10.7,;-5.56,-13.01,;-6.9,-12.24,)|

BDBM312433

CCC1CCc2c(C1)sc(NC(=O)C1=C(C3CCC1CC3)C(O)=O)c2-c1nc(C)cs1 |t:14,(-7.32,-.79,;-5.98,-1.56,;-4.65,-.79,;-4.65,.75,;-3.32,1.52,;-1.98,.75,;-1.98,-.79,;-3.32,-1.56,;-.52,-1.26,;.39,-.02,;1.93,-.02,;2.7,-1.35,;1.93,-2.68,;4.24,-1.35,;5.01,-2.68,;6.55,-2.68,;7.32,-1.35,;6.55,-.02,;5.01,-.02,;6.01,-1.1,;5.42,-1.68,;4.24,-4.02,;2.7,-4.02,;5.01,-5.35,;-.52,1.23,;.25,2.56,;1.72,3.04,;1.72,4.58,;3.05,5.35,;.25,5.06,;-.65,3.81,)|

BDBM312434

CC[C@H]1CCc2c(C1)sc(NC(=O)C1=C(C3CCC1CC3)C(O)=O)c2-c1nc(C)cs1 |r,wU:2.1,t:14,(-6.9,-9.95,;-5.56,-10.72,;-4.23,-9.95,;-4.23,-8.41,;-2.9,-7.64,;-1.56,-8.41,;-1.56,-9.95,;-2.9,-10.72,;-.1,-10.43,;.81,-9.18,;2.35,-9.18,;3.12,-10.52,;2.35,-11.85,;4.66,-10.52,;5.43,-11.85,;6.97,-11.85,;7.74,-10.52,;6.97,-9.18,;5.43,-9.18,;6.43,-10.27,;5.84,-10.85,;4.66,-13.18,;3.12,-13.18,;5.43,-14.52,;-.1,-7.94,;.67,-6.6,;2.14,-6.13,;2.14,-4.59,;3.47,-3.82,;.67,-4.11,;-.23,-5.36,)|

BDBM312435

CC[C@@H]1CCc2c(C1)sc(NC(=O)C1=C(C3CCC1CC3)C(O)=O)c2-c1nc(C)cs1 |r,wD:2.1,t:14,(-6.9,-9.95,;-5.56,-10.72,;-4.23,-9.95,;-4.23,-8.41,;-2.9,-7.64,;-1.56,-8.41,;-1.56,-9.95,;-2.9,-10.72,;-.1,-10.43,;.81,-9.18,;2.35,-9.18,;3.12,-10.52,;2.35,-11.85,;4.66,-10.52,;5.43,-11.85,;6.97,-11.85,;7.74,-10.52,;6.97,-9.18,;5.43,-9.18,;6.43,-10.27,;5.84,-10.85,;4.66,-13.18,;3.12,-13.18,;5.43,-14.52,;-.1,-7.94,;.67,-6.6,;2.14,-6.13,;2.14,-4.59,;3.47,-3.82,;.67,-4.11,;-.23,-5.36,)|

BDBM312436

CCC1CCc2c(C1)sc(NC(=O)C1=C(CCC1)C(O)=O)c2-c1nc(C)cs1 |t:14|

BDBM312437

CC[C@H]1CCc2c(C1)sc(NC(=O)C1=C(CCC1)C(O)=O)c2-c1nc(C)cs1 |r,t:14|

BDBM312438

CC[C@@H]1CCc2c(C1)sc(NC(=O)C1=C(CCC1)C(O)=O)c2-c1nc(C)cs1 |r,t:14|

BDBM312439

Cc1csc(n1)-c1c(NC(=O)C2=C(C3CCC2CC3)C(O)=O)sc2CC(CCc12)C(F)(F)F |t:12,(3.05,5.35,;1.72,4.58,;.25,5.06,;-.65,3.81,;.25,2.56,;1.72,3.04,;-.52,1.23,;.39,-.02,;1.93,-.02,;2.7,-1.35,;1.93,-2.68,;4.24,-1.35,;5.01,-2.68,;6.55,-2.68,;7.32,-1.35,;6.55,-.02,;5.01,-.02,;6.01,-1.1,;5.42,-1.68,;4.24,-4.02,;2.7,-4.02,;5.01,-5.35,;-.52,-1.26,;-1.98,-.79,;-3.32,-1.56,;-4.65,-.79,;-4.65,.75,;-3.32,1.52,;-1.98,.75,;-5.98,-1.56,;-7.32,-.79,;-5.98,-3.1,;-7.32,-2.33,)|

BDBM312440

Cc1csc(n1)-c1c(NC(=O)C2=C(C3CCC2CC3)C(O)=O)sc2C[C@H](CCc12)C(F)(F)F |r,wU:25.33,t:12,(3.46,-3.69,;2.13,-4.46,;.67,-3.99,;-.24,-5.23,;.67,-6.48,;2.13,-6,;-.1,-7.81,;.8,-9.06,;2.34,-9.06,;3.11,-10.39,;2.34,-11.72,;4.65,-10.39,;5.42,-11.72,;6.96,-11.72,;7.73,-10.39,;6.96,-9.06,;5.42,-9.06,;6.43,-10.15,;5.83,-10.72,;4.65,-13.06,;3.11,-13.06,;5.42,-14.39,;-.1,-10.3,;-1.57,-9.83,;-2.9,-10.6,;-4.24,-9.83,;-4.24,-8.29,;-2.9,-7.52,;-1.57,-8.29,;-5.57,-10.6,;-6.9,-9.83,;-5.57,-12.14,;-6.9,-11.37,)|

BDBM312441

Cc1csc(n1)-c1c(NC(=O)C2=C(C3CCC2CC3)C(O)=O)sc2C[C@@H](CCc12)C(F)(F)F |r,wD:25.33,t:12,(3.46,-3.69,;2.13,-4.46,;.67,-3.99,;-.24,-5.23,;.67,-6.48,;2.13,-6,;-.1,-7.81,;.8,-9.06,;2.34,-9.06,;3.11,-10.39,;2.34,-11.72,;4.65,-10.39,;5.42,-11.72,;6.96,-11.72,;7.73,-10.39,;6.96,-9.06,;5.42,-9.06,;6.43,-10.15,;5.83,-10.72,;4.65,-13.06,;3.11,-13.06,;5.42,-14.39,;-.1,-10.3,;-1.57,-9.83,;-2.9,-10.6,;-4.24,-9.83,;-4.24,-8.29,;-2.9,-7.52,;-1.57,-8.29,;-5.57,-10.6,;-6.9,-9.83,;-5.57,-12.14,;-6.9,-11.37,)|

BDBM312442

Cc1csc(n1)-c1c(NC(=O)C2=C(CCC2)C(O)=O)sc2CC(CCc12)C(F)(F)F |t:12|

BDBM312443

Cc1csc(n1)-c1c(NC(=O)C2=C(CCC2)C(O)=O)sc2C[C@@H](CCc12)C(F)(F)F |r,t:12|

BDBM312445

Cc1csc(n1)-c1c(NC(=O)C2=C(CCCC2)C(O)=O)sc2CC(CCc12)C(F)(F)F |t:12|

BDBM312446

CCC1CCc2c(C1)sc(NC(=O)C1=C(CCCC1)C(O)=O)c2-c1nc(no1)C1CC1 |t:14|

BDBM312447

CCC1CCc2c(C1)sc(NC(=O)C1=C(CCCC1)C(O)=O)c2-c1nc(C)cs1 |t:14|

BDBM312448

OC(=O)c1ccncc1C(=O)Nc1sc2COCCc2c1-c1nc(no1)C1CC1

BDBM312449

OC(=O)c1ccncc1C(=O)Nc1sc2CCCCc2c1-c1nc(no1)C1CC1

BDBM312450

Cc1nsc(n1)-c1c(NC(=O)C2=C(CCC2)C(O)=O)sc2CC(F)(F)CCc12 |t:12|

BDBM312451

Cc1nsc(n1)-c1c(NC(=O)C2=C(CCCC2)C(O)=O)sc2CC(F)(F)CCc12 |t:12|

BDBM312452

OC(=O)C1=C(CCC1)C(=O)Nc1sc2CC(F)(F)CCc2c1-c1nc(ns1)C1CC1 |t:3|

BDBM312453

OC(=O)C1=C(CCCC1)C(=O)Nc1sc2CC(F)(F)CCc2c1-c1nc(ns1)C1CC1 |t:3|

BDBM312454

OC(=O)C1=C(CCC1)C(=O)Nc1sc2CC(F)CCc2c1-c1nc(no1)C1CC1 |t:3|

BDBM312455

Cc1nsc(n1)-c1c(NC(=O)C2=C(CCC2)C(O)=O)sc2CCCCc12 |t:12|

BDBM312456

Cc1nsc(n1)-c1c(NC(=O)C2=C(CCCC2)C(O)=O)sc2CCCCc12 |t:12|

BDBM312457

OC(=O)C1=C(CCCC1)C(=O)Nc1sc2CC(F)CCc2c1-c1nc(no1)C1CC1 |t:3|

BDBM312458

Cc1nsc(n1)-c1c(NC(=O)C2=C(C3CCC2CC3)C(O)=O)sc2CCCCc12 |t:12,(1.77,5.18,;.44,4.41,;-1.03,4.89,;-1.93,3.64,;-1.03,2.4,;.44,2.87,;-1.8,1.06,;-.89,-.18,;.65,-.18,;1.42,-1.52,;.65,-2.85,;2.96,-1.52,;4.05,-2.61,;5.53,-2.21,;5.93,-.72,;4.84,.37,;3.35,-.03,;4.84,-.43,;4.07,-1.76,;3.65,-4.09,;2.16,-4.49,;4.74,-5.18,;-1.8,-1.43,;-3.26,-.95,;-4.6,-1.72,;-5.93,-.95,;-5.93,.59,;-4.6,1.36,;-3.26,.59,)|

BDBM312459

Cc1nsc(n1)-c1c(NC(=O)C2=C(C3CCC2CC3)C(O)=O)sc2CC(F)(F)CCc12 |t:12,(2.44,5.18,;1.1,4.41,;-.36,4.89,;-1.27,3.64,;-.36,2.4,;1.1,2.87,;-1.13,1.06,;-.23,-.18,;1.31,-.18,;2.08,-1.52,;1.31,-2.85,;3.62,-1.52,;4.71,-2.61,;6.2,-2.21,;6.6,-.72,;5.51,.37,;4.02,-.03,;5.51,-.43,;4.74,-1.76,;4.31,-4.09,;2.83,-4.49,;5.4,-5.18,;-1.13,-1.43,;-2.6,-.95,;-3.93,-1.72,;-5.26,-.95,;-6.6,-1.72,;-6.6,-.18,;-5.26,.59,;-3.93,1.36,;-2.6,.59,)|

BDBM312460

OC(=O)C1=C(CCC1)C(=O)Nc1sc2CCCCc2c1-c1nc(ns1)C1CC1 |t:3|

BDBM312461

OC(=O)C1=C(CCCC1)C(=O)Nc1sc2CCCCc2c1-c1nc(ns1)C1CC1 |t:3|

BDBM312462

OC(=O)[C@H]1CCCN1C(=O)Nc1sc2CC(F)(F)CCc2c1-c1nc(no1)C1CC1 |r|

BDBM312463

OC(=O)[C@H]1CCCN1C(=O)Nc1sc2CCCc2c1-c1nc(no1)C1CC1 |r|

BDBM312464

OC(=O)C1=C(CCC1)C(=O)Nc1sc2CCc2c1-c1nc(no1)C1CC1 |t:3|

BDBM312465

OC(=O)C1=C(C2CCC1CC2)C(=O)Nc1sc2CCCCc2c1-c1nc(ns1)C1CC1 |t:3,(1.79,-5.59,;3.28,-5.2,;4.36,-6.28,;3.67,-3.71,;2.9,-2.37,;3.67,-1.04,;5.21,-1.04,;5.98,-2.37,;5.21,-3.71,;3.88,-2.94,;4.97,-1.85,;1.36,-2.37,;.59,-3.71,;.59,-1.04,;-.95,-1.04,;-1.85,-2.29,;-3.32,-1.81,;-4.65,-2.58,;-5.98,-1.81,;-5.98,-.27,;-4.65,.5,;-3.32,-.27,;-1.85,.2,;-1.45,1.69,;.01,2.17,;.01,3.71,;-1.45,4.18,;-2.36,2.94,;1.1,4.8,;2.59,5.2,;1.5,6.28,)|

BDBM312466

OC(=O)C1=C(C2CCC1CC2)C(=O)Nc1sc2CC(F)(F)CCc2c1-c1nc(ns1)C1CC1 |t:3,(2.45,-5.59,;3.94,-5.2,;5.03,-6.28,;4.34,-3.71,;3.57,-2.37,;4.34,-1.04,;5.88,-1.04,;6.65,-2.37,;5.88,-3.71,;4.55,-2.94,;5.64,-1.85,;2.03,-2.37,;1.26,-3.71,;1.26,-1.04,;-.28,-1.04,;-1.18,-2.29,;-2.65,-1.81,;-3.98,-2.58,;-5.32,-1.81,;-6.65,-1.04,;-6.09,-3.14,;-5.32,-.27,;-3.98,.5,;-2.65,-.27,;-1.18,.2,;-.79,1.69,;.68,2.17,;.68,3.71,;-.79,4.18,;-1.69,2.94,;1.77,4.8,;3.25,5.2,;2.17,6.28,)|

BDBM312467

OC(=O)[C@H]1CCCN1C(=O)Nc1sc2CCCCCc2c1-c1nc(no1)C1CC1 |r|

BDBM312468

O[C@H]1C[C@@H](N(C1)C(=O)Nc1sc2CCCCc2c1-c1nc(no1)C1CC1)C(O)=O |r|

BDBM312469

O[C@@H]1C[C@@H](N(C1)C(=O)Nc1sc2CCCCc2c1-c1nc(no1)C1CC1)C(O)=O |r|

BDBM312470

OC(=O)C1=C(CCCC1)C(=O)Nc1sc2OCCCc2c1-c1nc(no1)C1CC1 |t:3|

BDBM312471

OC(=O)C1=C(CCC1)C(=O)Nc1sc2OCCCc2c1-c1nc(no1)C1CC1 |t:3|

BDBM312472

CC1(C)CC(C(O)=O)=C(C1)C(=O)Nc1sc2CCCCc2c1-c1nc(no1)C1CC1 |c:7|

BDBM312473

OC(=O)C1=C(CCC1)C(=O)Nc1sc2CCOCc2c1-c1nc(no1)C1CC1 |t:3|

BDBM312474

OC(=O)C1=C(CCCC1)C(=O)Nc1sc2CCOCc2c1-c1nc(no1)C1CC1 |t:3|

BDBM312475

Cc1[nH]nc(C(=O)Nc2sc3COCCc3c2-c2nc(no2)C2CC2)c1C(O)=O

BDBM312476

CC1(O)CCc2c(C1)sc(NC(=O)C1=C(CCC1)C(O)=O)c2-c1nc(no1)C1CC1 |t:14|

BDBM312477

CC1(O)CCc2c(C1)sc(NC(=O)C1=C(C3CCC1CC3)C(O)=O)c2-c1nc(no1)C1CC1 |t:14,(-6.65,-2.54,;-5.32,-1.77,;-6.65,-1,;-5.32,-.23,;-3.98,.54,;-2.65,-.23,;-2.65,-1.77,;-3.98,-2.54,;-1.18,-2.24,;-.28,-1,;1.26,-1,;2.03,-2.33,;1.26,-3.66,;3.57,-2.33,;4.34,-3.66,;5.88,-3.66,;6.65,-2.33,;5.88,-1,;4.34,-1,;5.64,-1.8,;4.55,-2.89,;3.57,-5,;2.03,-5,;4.34,-6.33,;-1.18,.25,;-.79,1.74,;.68,2.21,;.68,3.75,;-.79,4.23,;-1.69,2.98,;1.77,4.84,;3.25,5.24,;2.17,6.33,)|

BDBM312478

CC1(O)CCc2c(C1)sc(NC(=O)C1=C(CCCC1)C(O)=O)c2-c1nc(no1)C1CC1 |t:14|

BDBM312479

OC(=O)c1ncccc1C(=O)Nc1sc2COCCc2c1-c1nc(no1)C1CC1

BDBM312480

OC(=O)c1cccnc1C(=O)Nc1sc2COCCc2c1-c1nc(no1)C1CC1

BDBM312481

OC(=O)[C@@]12C[C@@]1(CCC2)C(=O)Nc1sc2COCCc2c1-c1nc(no1)C1CC1 |r|

BDBM312482

Cc1c(C(O)=O)c(nn1C)C(=O)Nc1sc2COCCc2c1-c1nc(no1)C1CC1

BDBM312483

OC(=O)C1=C(CCC1)C(=O)Nc1sc2CCCCc2c1-c1cccc(Cl)n1 |t:3|

BDBM312484

OC(=O)C1=C(CCC1)C(=O)Nc1sc2CCCCc2c1-c1ccc(Cl)cn1 |t:3|

BDBM312485

CC(C)c1csc(n1)-c1c(NC(=O)C2=C(CCC2)C(O)=O)sc2CC(F)(F)CCc12 |t:14|

BDBM312486

CC(C)c1csc(n1)-c1c(NC(=O)C2=C(C3CCC2CC3)C(O)=O)sc2CC(F)(F)CCc12 |t:14,(1.47,6.33,;1.87,4.84,;3.36,4.44,;.78,3.75,;-.68,4.23,;-1.59,2.98,;-.68,1.74,;.78,2.21,;-1.08,.25,;-.18,-1,;1.36,-1,;2.13,-2.33,;1.36,-3.66,;3.67,-2.33,;4.44,-3.66,;5.98,-3.66,;6.75,-2.33,;5.98,-1,;4.44,-1,;5.78,-1.77,;4.69,-2.85,;3.67,-5,;2.13,-5,;4.44,-6.33,;-1.08,-2.24,;-2.55,-1.77,;-3.88,-2.54,;-5.21,-1.77,;-6.75,-1.77,;-5.98,-3.1,;-5.21,-.23,;-3.88,.54,;-2.55,-.23,)|

BDBM312487

CC(C)c1csc(n1)-c1c(NC(=O)C2=C(CCCC2)C(O)=O)sc2CC(F)(F)CCc12 |t:14|

BDBM312488

Cc1csc(n1)-c1c(NC(=O)c2ncccc2C(O)=O)sc2CCCCc12

BDBM312489

Cc1csc(n1)-c1c(NC(=O)c2ncccc2C(O)=O)sc2CC(F)(F)CCc12

BDBM312490

CC1(C)CCc2sc(NC(=O)C3=C(CCC3)C(O)=O)c(-c3nc(no3)C3CC3)c2C1 |t:11|

BDBM312491

CC1(C)CCc2sc(NC(=O)C3=C(CCCC3)C(O)=O)c(-c3nc(no3)C3CC3)c2C1 |t:11|

BDBM312492

CC1(C)CCc2sc(NC(=O)C3=C(C4CCC3CC4)C(O)=O)c(-c3nc(no3)C3CC3)c2C1 |t:11,(-6.65,.54,;-5.32,-.23,;-6.65,-1,;-5.32,-1.77,;-3.98,-2.54,;-2.65,-1.77,;-1.18,-2.24,;-.28,-1,;1.26,-1,;2.03,-2.33,;1.26,-3.66,;3.57,-2.33,;4.34,-3.66,;5.88,-3.66,;6.65,-2.33,;5.88,-1,;4.34,-1,;5.67,-1.77,;4.59,-2.85,;3.57,-5,;2.03,-5,;4.34,-6.33,;-1.18,.25,;-.79,1.74,;.68,2.21,;.68,3.75,;-.79,4.23,;-1.69,2.98,;1.77,4.84,;3.25,5.24,;2.17,6.33,;-2.65,-.23,;-3.98,.54,)|

BDBM312493

OC(=O)C1=C(CCCC1)C(=O)Nc1sc2CCCCc2c1-c1nc(no1)C1CC1 |t:3|

BDBM312494

COC1(C)CCc2c(C1)sc(NC(=O)C1=C(CCC1)C(O)=O)c2-c1nc(no1)C1CC1 |t:15|

BDBM312495

OC(=O)c1cccnc1C(=O)Nc1sc2CC(F)(F)CCc2c1-c1nc(no1)C(F)(F)F

BDBM312496

OC(=O)c1cccnc1C(=O)Nc1sc2CCCCc2c1-c1nc(no1)C(F)(F)F

BDBM312498

CO[C@@]1(C)CCc2c(C1)sc(NC(=O)C1=C(CCC1)C(O)=O)c2-c1nc(no1)C1CC1 |r,t:15|

BDBM312499

OC(=O)C1=C(COCC1)C(=O)Nc1sc2CCCCc2c1-c1nc(no1)C1CC1 |t:3|

BDBM312500

OC(=O)C1=C(CCOC1)C(=O)Nc1sc2CCCCc2c1-c1nc(no1)C1CC1 |t:3|

BDBM312501

OC(=O)C1=C(CCC1)C(=O)Nc1sc2CS(=O)(=O)CCc2c1-c1nc(no1)C1CC1 |t:3|

BDBM312502

CCOC(=O)c1csc(n1)-c1c(NC(=O)C2=C(CCC2)C(O)=O)sc2CC(F)(F)CCc12 |t:16|

BDBM312503

OC(=O)C1=C(CCCC1)C(=O)Nc1sc2C[C@@H](F)CCc2c1-c1nc(no1)C1CC1 |r,t:3|

BDBM312504

OC(=O)C1=C(CCCC1)C(=O)Nc1sc2C[C@H](F)CCc2c1-c1nc(no1)C1CC1 |r,t:3|

BDBM312505

OC(=O)C1=C(COCC1)C(=O)Nc1sc2CC(F)(F)CCc2c1-c1nc(no1)C1CC1 |t:3|

BDBM312506

OC(=O)C1=C(CCOC1)C(=O)Nc1sc2CC(F)(F)CCc2c1-c1nc(no1)C1CC1 |t:3|

BDBM312507

Cc1csc(n1)-c1c(NC(=O)C2=C(COCC2)C(O)=O)sc2CC(F)(F)CCc12 |t:12|

BDBM312508

Cc1csc(n1)-c1c(NC(=O)C2=C(CCOC2)C(O)=O)sc2CC(F)(F)CCc12 |t:12|

BDBM312509

Cc1noc(n1)-c1c(NC(=O)N2CCC[C@@H]2C(O)=O)sc2CCCCCc12 |r|

BDBM312510

OC(=O)[C@H]1CCCN1C(=O)Nc1sc2CCCCCc2c1-c1nc(no1)C(F)(F)F |r|

BDBM312511

OC(=O)[C@H]1CCCN1C(=O)Nc1sc2CCCCc2c1-c1nc(no1)C(F)(F)F |r|

BDBM312512

OC(=O)[C@@H]1CCCN1C(=O)Nc1sc2CCCCCc2c1-c1nc(no1)C1CC1 |r|

BDBM212446

CN(C(=O)Nc1ccccc1-c1ccccc1)C1(CC1)C(O)=O

BDBM212447

OC(=O)C1(CCCC1)NC(=O)Nc1cc(Cl)ccc1-c1ccccc1

BDBM212448

OC(=O)C1(CC1)NC(=O)Nc1cc(Cl)ccc1-c1ccccc1

BDBM212449

OC(=O)C1(CCC1)NC(=O)Nc1cc(Cl)ccc1-c1ccccc1

BDBM212450

OC(=O)C1(CC1)NC(=O)Nc1cc(Cl)ccc1-c1ccc(F)cc1

BDBM212451

OC(=O)C1(CCCC1)NC(=O)Nc1cc(Cl)ccc1-c1ccc(F)cc1

BDBM212452

OC(=O)C1(CC1)NC(=O)Nc1cc(Cl)c(F)cc1-c1ccccc1

BDBM212453

OC(=O)C1(CC1)NC(=O)Nc1ccc(Cl)cc1-c1ccccc1

BDBM212454

OC(=O)C1(CCCC1)NC(=O)Nc1cc(Cl)c(F)cc1-c1ccccc1

BDBM212455

OC(=O)C1(CC1)NC(=O)Nc1cc(Cl)cc(Cl)c1-c1ccccc1

BDBM212456

OC(=O)C1(CCCC1)NC(=O)Nc1cc(Cl)cc(Cl)c1-c1ccccc1

BDBM212457

OC(=O)C1(CCCC1)NC(=O)Nc1cc(ccc1-c1ccccc1)C(F)(F)F

BDBM212458

OC(=O)C1(CC1)NC(=O)Nc1cc(ccc1-c1ccccc1)C(F)(F)F

BDBM212459

OC(=O)C1(CCCC1)NC(=O)Nc1ccc(Cl)cc1-c1ccc(F)cc1

BDBM212460

OC(=O)C1(CC1)NC(=O)Nc1ccc(Cl)cc1-c1ccc(F)cc1

BDBM212461

OC(=O)C1(CCCC1)NC(=O)Nc1ccc(Cl)cc1-c1ccccc1

BDBM60927

c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O

BDBM22319

CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O

BDBM22231

CCCCC\C=C/C\C=C/CCCCCCCC(=O)O

BDBM50269531

CCCCCC\C=C/CCCCCCCC(=O)O

BDBM228800

CCCCCCCCN[C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O |t:10|

BDBM50152850

CCCCCCCCCCCCCCCC(=O)O

BDBM234669

OC(=O)C1=C(CCC1)C(=O)Nc1sccc1-c1ccccc1 |t:3|

BDBM234670

COC(=O)c1sc(NC(=O)C2=C(C3CCC2CC3)C(O)=O)c(c1C)-c1nc(C)cs1 |t:10,(-6.65,-1.56,;-5.32,-.79,;-3.98,-1.56,;-3.98,-3.1,;-2.65,-.79,;-1.18,-1.26,;-.28,-.02,;1.26,-.02,;2.03,-1.35,;1.26,-2.68,;3.57,-1.35,;4.34,-2.68,;5.93,-2.68,;6.65,-1.35,;5.88,-.02,;4.34,-.02,;4.88,-1.53,;5.93,-1.53,;3.57,-4.02,;2.03,-4.02,;4.34,-5.35,;-1.18,1.23,;-2.65,.75,;-3.98,1.52,;-.41,2.56,;1.05,3.04,;1.05,4.58,;2.38,5.35,;-.41,5.06,;-1.32,3.81,)|

BDBM234671

Cc1noc(n1)-c1c(NC(=O)C2=C(CCC2)C(O)=O)sc(C)c1C1CC1 |t:12|

BDBM234672

Cc1sc(NC(=O)C2=C(C3CCC2CC3)C(O)=O)c(-c2nc(no2)C(F)(F)F)c1C1CC1 |t:7,TLB:15:8:10.11:14.13,THB:5:7:10.11:14.13,(-4.55,-2.4,;-3.21,-1.63,;-1.75,-2.11,;-.84,-.86,;.7,-.86,;1.47,-2.2,;.7,-3.53,;3.01,-2.2,;3.78,-3.53,;5.32,-3.53,;6.09,-2.2,;5.32,-.86,;3.78,-.86,;3.78,-2.11,;5.32,-2.11,;3.01,-4.86,;1.47,-4.86,;3.78,-6.2,;-1.75,.38,;-1.35,1.87,;.11,2.35,;.11,3.89,;-1.35,4.36,;-2.26,3.12,;1.45,4.66,;2.78,3.89,;1.45,6.2,;2.78,5.43,;-3.21,-.09,;-4.55,.68,;-5.32,2.01,;-6.09,.68,)|

BDBM234673

Cc1sc(NC(=O)C2=C(CCCC2)C(O)=O)c(c1C)-c1nc(no1)C1CC1 |t:7|

BDBM234674

Cc1c(sc(NC(=O)C2=C(CCC2)C(O)=O)c1-c1nc(no1)C1CC1)C1CC1 |t:8|

BDBM234675

Cc1c(sc(NC(=O)C2=C(C3CCC2CC3)C(O)=O)c1-c1nc(no1)C1CC1)C1CC1 |t:8,TLB:16:9:11.12:15.14,THB:6:8:11.12:15.14,(-4.55,.78,;-3.21,.01,;-3.21,-1.53,;-1.75,-2,;-.84,-.76,;.7,-.76,;1.47,-2.09,;.7,-3.43,;3.01,-2.09,;3.78,-3.43,;5.32,-3.43,;6.09,-2.09,;5.32,-.76,;3.78,-.76,;3.78,-2.01,;5.32,-2.01,;3.01,-4.76,;1.47,-4.76,;3.78,-6.09,;-1.75,.49,;-1.35,1.97,;.11,2.45,;.11,3.99,;-1.35,4.47,;-2.26,3.22,;1.45,4.76,;2.99,4.76,;2.22,6.09,;-4.55,-2.3,;-6.09,-2.3,;-5.32,-3.63,)|

BDBM234676

Cc1noc(n1)-c1c(NC(=O)C2=C(CCCC2)C(O)=O)sc(C)c1C1CC1 |t:12|

BDBM234677

Cc1noc(n1)-c1c(NC(=O)C2=C(C3CCC2CC3)C(O)=O)sc(C)c1C1CC1 |t:12,TLB:19:12:14.15:18.17,THB:9:11:14.15:18.17,(1.45,5.43,;.11,4.66,;-1.35,5.13,;-2.26,3.89,;-1.35,2.64,;.11,3.12,;-1.75,1.15,;-.84,-.09,;.7,-.09,;1.47,-1.43,;.7,-2.76,;3.01,-1.43,;3.78,-2.76,;5.32,-2.76,;6.09,-1.43,;5.32,-.09,;3.78,-.09,;3.78,-1.34,;5.32,-1.34,;3.01,-4.09,;1.47,-4.09,;3.78,-5.43,;-1.75,-1.34,;-3.21,-.86,;-4.55,-1.63,;-3.21,.68,;-4.55,1.45,;-5.32,2.78,;-6.09,1.45,)|

BDBM234678

Cc1sc(NC(=O)C2=C(CCC2)C(O)=O)c(-c2nc(no2)C2CC2)c1C1CC1 |t:7|

BDBM234679

Cc1sc(NC(=O)C2=C(C3CCC2CC3)C(O)=O)c(-c2nc(no2)C2CC2)c1C1CC1 |t:7,TLB:15:8:10.11:14.13,THB:5:7:10.11:14.13,(-4.55,-2.3,;-3.21,-1.53,;-1.75,-2,;-.84,-.76,;.7,-.76,;1.47,-2.09,;.7,-3.43,;3.01,-2.09,;3.78,-3.43,;5.32,-3.43,;6.09,-2.09,;5.32,-.76,;3.78,-.76,;3.78,-2.01,;5.32,-2.01,;3.01,-4.76,;1.47,-4.76,;3.78,-6.09,;-1.75,.49,;-1.35,1.97,;.11,2.45,;.11,3.99,;-1.35,4.47,;-2.26,3.22,;1.45,4.76,;2.99,4.76,;2.22,6.09,;-3.21,.01,;-4.55,.78,;-5.32,2.11,;-6.09,.78,)|

BDBM234680

Cc1sc(NC(=O)C2=C(C3CCC2CC3)C(O)=O)c(c1C)-c1nc(no1)C1CC1 |t:7,TLB:15:8:10.11:14.13,THB:5:7:10.11:14.13,(-5.32,-2.3,;-3.98,-1.53,;-2.52,-2,;-1.61,-.76,;-.07,-.76,;.7,-2.09,;-.07,-3.43,;2.24,-2.09,;3.01,-3.43,;4.55,-3.43,;5.32,-2.09,;4.55,-.76,;3.01,-.76,;3.01,-2.01,;4.55,-2.01,;2.24,-4.76,;.7,-4.76,;3.01,-6.09,;-2.52,.49,;-3.98,.01,;-5.32,.78,;-2.12,1.97,;-.66,2.45,;-.66,3.99,;-2.12,4.47,;-3.03,3.22,;.68,4.76,;2.22,4.76,;1.45,6.09,)|

BDBM234681

Cc1sc(NC(=O)C2=C(CCC2)C(O)=O)c(c1C)-c1nc(no1)C1CC1 |t:7|

BDBM234700

Cc1nsc(n1)-c1c(C)c(C)sc1NC(=O)C1=C(C2CCC1CC2)C(O)=O |t:18,(1.1,5.18,;-.23,4.41,;-1.7,4.89,;-2.6,3.64,;-1.7,2.4,;-.23,2.87,;-2.47,1.06,;-3.93,.59,;-5.26,1.36,;-3.93,-.95,;-5.26,-1.72,;-2.47,-1.43,;-1.56,-.18,;-.02,-.18,;.75,-1.52,;-.02,-2.85,;2.29,-1.52,;3.38,-2.61,;4.87,-2.21,;5.26,-.72,;4.18,.37,;2.69,-.03,;4.18,-.43,;3.38,-1.81,;2.98,-4.09,;1.49,-4.49,;4.07,-5.18,)|

BDBM234701

Cc1sc(NC(=O)C2=C(CCC2)C(O)=O)c(c1C)-c1nc(ns1)C1CC1 |t:7|

BDBM234702

Cc1sc(NC(=O)C2=C(CCCC2)C(O)=O)c(c1C)-c1nc(ns1)C1CC1 |t:7|

BDBM234703

Cc1sc(NC(=O)C2=C(C3CCC2CC3)C(O)=O)c(c1C)-c1nc(ns1)C1CC1 |t:7,TLB:5:7:10.11:13.14,THB:15:8:10.11:13.14,(-5.26,-2.39,;-3.93,-1.62,;-2.47,-2.1,;-1.56,-.85,;-.02,-.85,;.75,-2.18,;-.02,-3.52,;2.29,-2.18,;3.38,-3.27,;4.87,-2.87,;5.26,-1.39,;4.18,-.3,;2.69,-.7,;3.46,-2.03,;4.87,-1.33,;2.98,-4.76,;1.49,-5.16,;4.07,-5.85,;-2.47,.4,;-3.93,-.08,;-5.26,.69,;-1.7,1.73,;-.23,2.21,;-.23,3.75,;-1.7,4.22,;-2.6,2.98,;1.1,4.52,;2.64,4.52,;1.87,5.85,)|

BDBM234704

Cc1nsc(n1)-c1c(C)c(sc1NC(=O)C1=C(CCC1)C(O)=O)C1CC1 |t:17|

BDBM234705

Cc1nsc(n1)-c1c(C)c(sc1NC(=O)C1=C(CCCC1)C(O)=O)C1CC1 |t:17|

BDBM234706

Cc1nsc(n1)-c1c(C)c(sc1NC(=O)C1=C(C2CCC1CC2)C(O)=O)C1CC1 |t:17,(1.87,5.18,;.54,4.41,;-.93,4.89,;-1.83,3.64,;-.93,2.4,;.54,2.87,;-1.7,1.06,;-3.16,.59,;-4.49,1.36,;-3.16,-.95,;-1.7,-1.43,;-.79,-.18,;.75,-.18,;1.52,-1.52,;.75,-2.85,;3.06,-1.52,;4.15,-2.61,;5.64,-2.21,;6.03,-.72,;4.95,.37,;3.46,-.03,;4.95,-.43,;4.15,-1.81,;3.75,-4.09,;2.26,-4.49,;4.84,-5.18,;-4.49,-1.72,;-6.03,-1.72,;-5.26,-3.06,)|

BDBM234707

Cc1c(sc(NC(=O)C2=C(CCC2)C(O)=O)c1-c1nc(ns1)C1CC1)C1CC1 |t:8|

BDBM234708

Cc1nsc(n1)-c1c(C)c(C)sc1NC(=O)C1=C(CCC1)C(O)=O |t:18|

BDBM234709

Cc1c(sc(NC(=O)C2=C(C3CCC2CC3)C(O)=O)c1-c1nc(ns1)C1CC1)C1CC1 |t:8,(-4.49,.69,;-3.16,-.08,;-3.16,-1.62,;-1.7,-2.1,;-.79,-.85,;.75,-.85,;1.52,-2.18,;.75,-3.52,;3.06,-2.18,;4.15,-3.27,;5.64,-2.87,;6.03,-1.39,;4.95,-.3,;3.46,-.7,;4.95,-1.09,;4.15,-2.48,;3.75,-4.76,;2.26,-5.16,;4.84,-5.85,;-1.7,.4,;-.93,1.73,;.54,2.21,;.54,3.75,;-.93,4.22,;-1.83,2.98,;1.87,4.52,;3.41,4.52,;2.64,5.85,;-4.49,-2.39,;-6.03,-2.39,;-5.26,-3.72,)|

BDBM234710

Cc1nsc(n1)-c1c(C)c(C)sc1NC(=O)C1=C(CCCC1)C(O)=O |t:18|

BDBM234711

Cc1c(sc(NC(=O)C2=C(CCCC2)C(O)=O)c1-c1nc(ns1)C1CC1)C1CC1 |t:8|

BDBM234682

Cc1sc(NC(=O)C2=C(CCC2)C(O)=O)c(-c2nc(no2)C(F)(F)F)c1C1CC1 |t:7|

BDBM234683

Cc1cc(c(NC(=O)C2=C(CCC2)C(O)=O)s1)-c1nc(no1)C1CC1 |t:8|

BDBM234684

OC(=O)C1=C(CCC1)C(=O)Nc1sccc1-c1nc(no1)C1CC1 |t:3|

BDBM234685

Cc1c(sc(NC(=O)C2=C(CCC2)C(O)=O)c1-c1nc(no1)C1CC1)C1COC1 |t:8|

BDBM234686

Cc1c(sc(NC(=O)C2=C(CCCC2)C(O)=O)c1-c1nc(no1)C1CC1)C1COC1 |t:8|

BDBM234687

Cc1sc(NC(=O)C2=C(CCC2)C(O)=O)c(-c2nc(no2)C2CC2)c1C(F)(F)F |t:7|

BDBM234688

CCOC(=O)c1sc(NC(=O)C2=C(CCC2)C(O)=O)c(c1C)-c1nc(no1)C1CC1 |t:11|

BDBM234689

CN(C)C(=O)c1sc(NC(=O)C2=C(CCC2)C(O)=O)c(c1C)-c1nc(no1)C1CC1 |t:11|

BDBM234690

OC(=O)C1=C(CCC1)C(=O)Nc1sc(cc1-c1nc(no1)C1CC1)C1CC1 |t:3|

BDBM234691

OC(=O)C1=C(CCC1)C(=O)Nc1scc(C2CC2)c1-c1nc(no1)C1CC1 |t:3|

BDBM234692

Cc1csc(NC(=O)C2=C(CCC2)C(O)=O)c1-c1nc(no1)C1CC1 |t:8|

BDBM234693

OC(=O)C1=C(CCC1)C(=O)Nc1sc(CC(F)(F)F)cc1-c1nc(no1)C1CC1 |t:3|

BDBM234694

OC(=O)C1=C(CCC1)C(=O)Nc1scc(c1-c1nc(no1)C1CC1)C(F)(F)F |t:3|

BDBM234695

CN(C)c1nc(ns1)-c1sc(NC(=O)C2=C(CCC2)C(O)=O)c(c1C)-c1nc(no1)C1CC1 |t:15|

BDBM234696

Cc1sc(NC(=O)C2CCCCC2C(O)=O)c(c1C)-c1nc(no1)C1CC1

BDBM234698

Cc1sc(NC(=O)C2=C(COCC2)C(O)=O)c(c1C)-c1nc(no1)C1CC1 |t:7|

BDBM234699

Cc1sc(NC(=O)N2CCC[C@@H]2C(O)=O)c(c1C)-c1nc(no1)C(F)(F)F |r|

BDBM489698

[O-]C(=O)C1C(C(C1c1ccccc1)C(=O)OCc1ccccc1)c1ccccc1 |(1.55,-7.27,;2.32,-5.93,;1.55,-4.6,;3.86,-5.93,;4.94,-4.85,;6.03,-5.93,;4.94,-7.02,;4.94,-8.56,;6.28,-9.33,;6.28,-10.87,;4.94,-11.64,;3.61,-10.87,;3.61,-9.33,;7.57,-5.93,;8.34,-4.6,;8.34,-7.27,;9.88,-7.27,;10.65,-8.6,;12.19,-8.6,;12.96,-9.94,;12.19,-11.27,;10.65,-11.27,;9.88,-9.94,;4.94,-3.31,;3.61,-2.54,;3.61,-1,;4.94,-.23,;6.28,-1,;6.28,-2.54,)|

BDBM489700

COc1ccc(COC(=O)C2C(C(C2c2ccccc2)C([O-])=O)c2ccccc2)cc1 |(14.5,-12.6,;12.96,-12.6,;12.19,-11.27,;12.96,-9.94,;12.19,-8.6,;10.65,-8.6,;9.88,-7.27,;8.34,-7.27,;7.57,-5.93,;8.34,-4.6,;6.03,-5.93,;4.94,-4.85,;3.86,-5.93,;4.94,-7.02,;4.94,-8.56,;6.28,-9.33,;6.28,-10.87,;4.94,-11.64,;3.61,-10.87,;3.61,-9.33,;2.32,-5.93,;1.55,-7.27,;1.55,-4.6,;4.94,-3.31,;3.61,-2.54,;3.61,-1,;4.94,-.23,;6.28,-1,;6.28,-2.54,;9.88,-9.94,;10.65,-11.27,)|

BDBM489701

OC(=O)[C@H]1[C@H]([C@@H]([C@@H]1c1ccccc1)C(=O)OCc1ccccc1)c1ccccc1 |r,wU:6.7,5.14,wD:4.25,3.2,(-3.69,3.35,;-4.09,1.86,;-5.58,1.46,;-3,.77,;-3,-.77,;-1.46,-.77,;-1.46,.77,;-.37,1.86,;1.12,1.46,;2.2,2.55,;1.81,4.04,;.32,4.44,;-.77,3.35,;-.37,-1.86,;-.77,-3.35,;1.12,-1.46,;2.2,-2.55,;3.69,-2.15,;4.78,-3.24,;6.27,-2.84,;6.67,-1.35,;5.58,-.26,;4.09,-.66,;-4.09,-1.86,;-5.58,-1.46,;-6.67,-2.55,;-6.27,-4.04,;-4.78,-4.44,;-3.69,-3.35,)|

BDBM50468458

COc1ccc(COC(=O)[C@H]2[C@H]([C@@H]([C@@H]2c2ccccc2)C(O)=O)c2ccccc2)cc1 |r,wU:11.24,10.9,wD:12.21,13.14,(16.05,-22.87,;16.45,-24.35,;17.94,-24.75,;19.03,-23.66,;20.51,-24.06,;20.91,-25.55,;22.39,-25.95,;23.48,-24.86,;23.08,-23.37,;21.6,-22.97,;24.17,-22.28,;24.17,-20.74,;25.71,-20.74,;25.71,-22.28,;26.8,-23.37,;26.4,-24.86,;27.49,-25.95,;28.97,-25.55,;29.37,-24.05,;28.28,-22.97,;26.8,-19.65,;28.29,-20.05,;26.4,-18.17,;23.08,-19.65,;23.49,-18.17,;22.4,-17.08,;20.91,-17.48,;20.51,-18.98,;21.6,-20.06,;19.83,-26.64,;18.34,-26.24,)|

BDBM50468438

OC(=O)[C@H]1[C@@H]([C@@H]([C@H]1c1ccccc1)C(=O)OCc1ccc(F)cc1)c1ccccc1 |r,wU:4.26,5.14,wD:3.2,6.7,(43.56,-20.06,;42.07,-19.66,;41.67,-18.17,;40.98,-20.75,;39.44,-20.75,;39.44,-22.29,;40.98,-22.29,;42.07,-23.38,;41.67,-24.87,;42.75,-25.96,;44.24,-25.56,;44.64,-24.06,;43.55,-22.98,;38.35,-23.38,;36.86,-22.98,;38.75,-24.87,;37.66,-25.96,;36.17,-25.56,;35.78,-24.07,;34.29,-23.67,;33.2,-24.76,;31.71,-24.36,;33.61,-26.25,;35.09,-26.64,;38.35,-19.66,;38.75,-18.18,;37.67,-17.09,;36.18,-17.49,;35.78,-18.99,;36.87,-20.07,)|

BDBM50468474

OC(=O)[C@H]1[C@@H]([C@@H]([C@H]1c1ccccc1)C(=O)OCc1ccc(Br)cc1)c1ccccc1 |r,wU:4.26,5.14,wD:3.2,6.7,(59,-19.53,;57.51,-19.13,;57.11,-17.65,;56.42,-20.22,;54.88,-20.22,;54.88,-21.76,;56.42,-21.76,;57.51,-22.85,;57.1,-24.34,;58.19,-25.43,;59.68,-25.03,;60.08,-23.53,;58.99,-22.45,;53.79,-22.85,;52.3,-22.45,;54.19,-24.34,;53.1,-25.43,;51.61,-25.03,;51.22,-23.54,;49.73,-23.14,;48.64,-24.23,;47.15,-23.83,;49.05,-25.72,;50.53,-26.11,;53.79,-19.13,;54.19,-17.65,;53.1,-16.56,;51.62,-16.96,;51.22,-18.46,;52.31,-19.54,)|

BDBM50468452

OC(=O)[C@H]1[C@@H]([C@@H]([C@H]1c1ccccc1)C(=O)Oc1ccccc1I)c1ccccc1 |r,wU:4.25,5.14,wD:3.2,6.7,(72.92,-19.81,;71.43,-19.41,;71.03,-17.93,;70.34,-20.5,;68.8,-20.5,;68.8,-22.04,;70.34,-22.04,;71.43,-23.13,;71.03,-24.62,;72.11,-25.71,;73.6,-25.31,;74,-23.81,;72.91,-22.73,;67.71,-23.13,;66.22,-22.73,;68.11,-24.62,;67.02,-25.71,;67.42,-27.18,;66.34,-28.27,;64.85,-27.88,;64.45,-26.39,;65.54,-25.3,;65.14,-23.81,;67.71,-19.41,;68.11,-17.93,;67.03,-16.84,;65.54,-17.24,;65.14,-18.74,;66.23,-19.82,)|

BDBM489706

OC(=O)[C@H]1[C@H]([C@@H]([C@@H]1c1ccccc1)C(=O)OC1CCCCC1)c1ccccc1 |r,wU:6.7,5.14,wD:4.24,3.2,(-2.75,3.69,;-3.15,2.2,;-4.63,1.81,;-2.06,1.12,;-2.06,-.42,;-.52,-.42,;-.52,1.12,;.57,2.2,;2.06,1.81,;3.15,2.89,;2.75,4.38,;1.26,4.78,;.17,3.69,;.57,-1.51,;.17,-3,;2.06,-1.12,;3.15,-2.2,;2.75,-3.69,;3.84,-4.78,;5.33,-4.38,;5.72,-2.89,;4.63,-1.81,;-3.15,-1.51,;-4.63,-1.12,;-5.72,-2.2,;-5.33,-3.69,;-3.84,-4.09,;-2.75,-3,)|

BDBM50468462

OC(=O)[C@H]1[C@@H]([C@@H]([C@H]1c1ccccc1)C(=O)Oc1ccccc1-c1ccccc1)c1ccccc1 |r,wU:4.31,5.14,wD:3.2,6.7,(10.35,-31.48,;8.87,-31.08,;8.47,-29.59,;7.78,-32.17,;6.24,-32.17,;6.24,-33.71,;7.78,-33.71,;8.87,-34.8,;8.46,-36.29,;9.55,-37.37,;11.04,-36.98,;11.44,-35.48,;10.34,-34.4,;5.15,-34.8,;3.66,-34.4,;5.55,-36.29,;4.46,-37.37,;2.97,-36.97,;1.88,-38.06,;2.28,-39.55,;3.78,-39.94,;4.86,-38.85,;6.35,-39.24,;6.75,-40.73,;8.23,-41.12,;9.32,-40.03,;8.91,-38.54,;7.42,-38.15,;5.15,-31.08,;5.55,-29.6,;4.46,-28.51,;2.97,-28.91,;2.58,-30.41,;3.67,-31.49,)|

BDBM50468436

OC(=O)[C@H]1[C@@H]([C@@H]([C@H]1c1ccccc1)C(=O)Oc1cccc(c1)-c1ccccc1)c1ccccc1 |r,wU:4.31,5.14,wD:3.2,6.7,(29.04,-31.59,;27.56,-31.19,;27.16,-29.7,;26.47,-32.28,;24.93,-32.28,;24.93,-33.82,;26.47,-33.82,;27.56,-34.91,;27.15,-36.39,;28.24,-37.48,;29.73,-37.08,;30.12,-35.59,;29.03,-34.51,;23.84,-34.91,;22.35,-34.51,;24.24,-36.39,;23.15,-37.48,;23.55,-38.96,;22.47,-40.05,;20.97,-39.65,;20.57,-38.16,;21.66,-37.08,;19.09,-37.77,;18.7,-36.28,;17.21,-35.88,;16.12,-36.97,;16.52,-38.46,;18.01,-38.86,;23.84,-31.19,;24.24,-29.71,;23.15,-28.62,;21.66,-29.02,;21.27,-30.51,;22.36,-31.6,)|

BDBM50468463

OC(=O)[C@H]1[C@@H]([C@@H]([C@H]1c1ccccc1)C(=O)Oc1ccc(cc1)-c1ccccc1)c1ccccc1 |r,wU:4.31,5.14,wD:3.2,6.7,(47.28,-32.35,;45.8,-31.95,;45.4,-30.46,;44.71,-33.04,;43.17,-33.04,;43.17,-34.58,;44.71,-34.58,;45.8,-35.67,;45.39,-37.16,;46.48,-38.25,;47.97,-37.85,;48.36,-36.35,;47.27,-35.27,;42.08,-35.67,;40.59,-35.27,;42.48,-37.16,;41.39,-38.25,;39.9,-37.84,;38.81,-38.93,;39.21,-40.42,;40.71,-40.81,;41.79,-39.72,;38.12,-41.51,;36.64,-41.1,;35.55,-42.19,;35.95,-43.68,;37.45,-44.07,;38.53,-42.98,;42.08,-31.95,;42.48,-30.47,;41.39,-29.38,;39.9,-29.78,;39.51,-31.28,;40.6,-32.36,)|

BDBM50468475

OC(=O)[C@H]1[C@@H]([C@@H]([C@H]1c1ccccc1)C(=O)Oc1ccccc1-c1ccccc1O)c1ccccc1 |r,wU:4.32,5.14,wD:3.2,6.7,(59.49,-31.47,;58.01,-31.07,;57.61,-29.58,;56.92,-32.16,;55.38,-32.16,;55.38,-33.7,;56.92,-33.7,;58.01,-34.79,;57.6,-36.28,;58.69,-37.37,;60.18,-36.97,;60.58,-35.47,;59.48,-34.39,;54.29,-34.79,;52.8,-34.39,;54.69,-36.28,;53.6,-37.37,;52.11,-36.96,;51.02,-38.05,;51.42,-39.54,;52.92,-39.93,;54,-38.84,;55.49,-39.24,;56.56,-38.14,;58.05,-38.53,;58.46,-40.02,;57.37,-41.11,;55.89,-40.72,;54.8,-41.81,;54.29,-31.07,;54.69,-29.59,;53.6,-28.5,;52.11,-28.9,;51.72,-30.4,;52.81,-31.48,)|

BDBM489713

OC(=O)[C@H]1[C@@H]([C@@H]([C@H]1c1ccccc1)C(=O)Oc1ccc(Cl)c(Cl)c1Cl)c1ccccc1 |r,wU:4.27,5.14,wD:6.7,3.2,(4.05,3.51,;2.57,3.91,;2.17,5.39,;1.48,2.82,;-.08,2.8,;-.08,1.26,;1.46,1.26,;2.55,.17,;2.15,-1.31,;3.24,-2.4,;4.73,-2,;5.13,-.52,;4.04,.57,;-1.17,.17,;-2.66,.57,;-.77,-1.31,;-1.86,-2.4,;-3.35,-2,;-4.44,-3.09,;-4.04,-4.58,;-5.13,-5.67,;-2.55,-4.98,;-2.15,-6.47,;-1.46,-3.89,;.03,-4.29,;-1.17,3.89,;-.77,5.38,;-1.86,6.47,;-3.35,6.07,;-3.75,4.58,;-2.66,3.49,)|

BDBM489714

[O-]C(=O)C1C(C(C1c1ccccc1)C(=O)O[C@@H]1CCCC[C@H]1c1ccccc1)c1ccccc1 |wU:16.17,wD:21.24,(-8.34,-3.1,;-7.57,-1.77,;-8.34,-.43,;-6.03,-1.77,;-4.94,-.68,;-3.86,-1.77,;-4.94,-2.85,;-4.94,-4.39,;-3.61,-5.16,;-3.61,-6.7,;-4.94,-7.47,;-6.28,-6.7,;-6.28,-5.16,;-2.32,-1.77,;-1.55,-3.1,;-1.55,-.43,;-.01,-.43,;.76,-1.77,;2.3,-1.77,;3.07,-.43,;2.3,.9,;.76,.9,;-.01,2.24,;-1.55,2.24,;-2.32,3.57,;-1.55,4.9,;-.01,4.9,;.76,3.57,;-4.94,.86,;-6.28,1.63,;-6.28,3.17,;-4.94,3.94,;-3.61,3.17,;-3.61,1.63,)|

BDBM50468465

OC(=O)[C@H]1[C@@H]([C@@H]([C@H]1c1ccccc1)C(=O)O[C@@H]1CCCC[C@H]1c1ccccc1)c1ccccc1 |r,wU:4.31,5.14,16.17,wD:3.2,6.7,21.24,(26.3,-49.55,;24.81,-49.15,;24.41,-47.67,;23.72,-50.24,;22.18,-50.24,;22.18,-51.78,;23.72,-51.78,;24.81,-52.87,;24.41,-54.36,;25.49,-55.45,;26.98,-55.05,;27.38,-53.55,;26.29,-52.47,;21.09,-52.87,;19.61,-52.47,;21.49,-54.36,;20.4,-55.45,;18.91,-55.05,;17.83,-56.14,;18.22,-57.63,;19.71,-58.03,;20.8,-56.94,;22.29,-57.34,;22.68,-58.83,;24.17,-59.23,;25.26,-58.14,;24.86,-56.65,;23.37,-56.25,;21.09,-49.15,;21.5,-47.67,;20.41,-46.59,;18.92,-46.98,;18.52,-48.48,;19.61,-49.56,)|

BDBM489716

OC(=O)[C@H]1[C@@H]([C@@H]([C@H]1c1ccccc1)C(=O)O[C@H]1CCCCC1c1ccccc1)c1ccccc1 |r,wU:4.31,5.14,wD:3.2,6.7,16.17,(4.06,11.44,;2.57,11.84,;2.17,13.32,;1.48,10.75,;-.06,10.75,;-.06,9.21,;1.48,9.21,;2.57,8.12,;2.17,6.63,;3.26,5.54,;4.75,5.94,;5.15,7.43,;4.06,8.52,;-1.15,8.12,;-2.48,8.89,;-1.15,6.58,;-2.48,5.81,;-3.81,6.58,;-5.15,5.81,;-5.15,4.27,;-3.81,3.5,;-2.48,4.27,;-1.15,3.5,;-1.15,1.96,;.19,1.19,;1.52,1.96,;1.52,3.5,;.19,4.27,;-1.15,11.84,;-.75,13.32,;-1.84,14.41,;-3.32,14.01,;-3.72,12.53,;-2.63,11.44,)|

BDBM489717

OC(=O)[C@H]1[C@H]([C@@H]([C@@H]1c1ccccc1)C(=O)O[C@@H]1CCCC[C@H]1c1ccccc1)c1ccccc1 |r,wU:3.2,4.31,16.17,wD:6.7,5.14,21.24,(4.06,-4.33,;2.57,-3.93,;2.17,-2.45,;1.48,-5.02,;1.48,-6.56,;-.06,-6.56,;-.06,-5.02,;-1.15,-3.93,;-.75,-2.45,;-1.84,-1.36,;-3.32,-1.76,;-3.72,-3.24,;-2.63,-4.33,;-1.15,-7.65,;-2.48,-6.88,;-1.15,-9.19,;-2.48,-9.96,;-3.81,-9.19,;-5.15,-9.96,;-5.15,-11.5,;-3.81,-12.27,;-2.48,-11.5,;-1.15,-12.27,;-1.15,-13.81,;.19,-14.58,;1.52,-13.81,;1.52,-12.27,;.19,-11.5,;2.57,-7.65,;2.17,-9.14,;3.26,-10.23,;4.75,-9.83,;5.15,-8.34,;4.06,-7.25,)|

BDBM489718

OC(=O)[C@H]1[C@H]([C@@H]([C@@H]1c1ccccc1)C(=O)O[C@H]1CCCCC1c1ccccc1)c1ccccc1 |r,wU:3.2,4.31,wD:6.7,5.14,16.17,(4.06,-19.41,;2.57,-19.01,;2.17,-17.52,;1.48,-20.1,;1.48,-21.64,;-.06,-21.64,;-.06,-20.1,;-1.15,-19.01,;-.75,-17.52,;-1.84,-16.43,;-3.32,-16.83,;-3.72,-18.32,;-2.63,-19.41,;-1.15,-22.73,;-2.48,-21.96,;-1.15,-24.27,;-2.48,-25.04,;-3.81,-24.27,;-5.15,-25.04,;-5.15,-26.58,;-3.81,-27.35,;-2.48,-26.58,;-1.15,-27.35,;-1.15,-28.89,;.19,-29.66,;1.52,-28.89,;1.52,-27.35,;.19,-26.58,;2.57,-22.73,;2.17,-24.22,;3.26,-25.3,;4.75,-24.91,;5.15,-23.42,;4.06,-22.33,)|

BDBM50468472

OC(=O)[C@H]1[C@@H]([C@@H]([C@H]1c1ccccc1)C(=O)OC1Cc2ccccc2C1)c1ccccc1 |r,wU:4.28,5.14,wD:3.2,6.7,(52.65,-49.29,;51.16,-48.89,;50.76,-47.4,;50.07,-49.98,;48.53,-49.98,;48.53,-51.52,;50.07,-51.52,;51.16,-52.6,;50.75,-54.09,;51.84,-55.18,;53.33,-54.78,;53.73,-53.29,;52.64,-52.2,;47.44,-52.6,;45.95,-52.21,;47.84,-54.09,;46.75,-55.18,;45.23,-54.94,;44.54,-56.31,;43.06,-56.71,;42.65,-58.19,;43.75,-59.28,;45.22,-58.88,;45.62,-57.4,;46.99,-56.71,;47.44,-48.89,;47.84,-47.41,;46.75,-46.32,;45.27,-46.72,;44.87,-48.21,;45.96,-49.29,)|

BDBM50468456

CC(=O)Nc1ccc2c(OC(=O)[C@H]3[C@H]([C@@H]([C@@H]3c3ccccc3)C(O)=O)c3ccccc3)cccc2c1 |r,wU:13.26,12.11,wD:14.23,15.16,(71.48,-50.09,;72.96,-50.49,;74.05,-49.4,;73.36,-51.98,;74.85,-52.38,;75.93,-51.3,;77.41,-51.7,;77.79,-53.18,;79.28,-53.57,;80.37,-52.48,;79.97,-50.99,;78.48,-50.6,;81.06,-49.91,;81.06,-48.37,;82.6,-48.37,;82.6,-49.91,;83.69,-50.99,;83.28,-52.48,;84.37,-53.57,;85.86,-53.17,;86.26,-51.68,;85.17,-50.59,;83.69,-47.28,;85.17,-47.67,;83.29,-45.79,;79.97,-47.28,;80.37,-45.8,;79.28,-44.71,;77.79,-45.11,;77.4,-46.6,;78.49,-47.68,;79.68,-55.05,;78.59,-56.14,;77.1,-55.74,;76.71,-54.25,;75.24,-53.85,)|

BDBM50468439

OC(=O)[C@H]1[C@@H]([C@@H]([C@H]1c1ccccc1)C(=O)Oc1cccc2c(cccc12)C#C)c1ccccc1 |r,wU:4.31,5.14,wD:3.2,6.7,(32.43,-5.23,;30.94,-4.83,;30.54,-3.34,;29.85,-5.92,;28.31,-5.92,;28.31,-7.46,;29.85,-7.46,;30.94,-8.55,;30.54,-10.04,;31.62,-11.12,;33.11,-10.73,;33.51,-9.23,;32.42,-8.15,;27.22,-8.55,;25.73,-8.15,;27.62,-10.04,;26.53,-11.12,;26.94,-12.61,;25.84,-13.69,;24.35,-13.29,;23.96,-11.8,;22.49,-11.4,;22.1,-9.93,;23.19,-8.85,;24.66,-9.25,;25.05,-10.73,;21.4,-12.49,;20.31,-13.58,;27.22,-4.83,;27.62,-3.35,;26.54,-2.26,;25.05,-2.66,;24.65,-4.16,;25.74,-5.24,)|

BDBM50468467

OC(=O)[C@H]1[C@@H]([C@@H]([C@H]1c1ccccc1)C(=O)OCC1c2ccccc2-c2ccccc12)c1ccccc1 |r,wU:4.34,5.14,wD:3.2,6.7,(45.06,-3.75,;43.57,-3.35,;43.17,-1.87,;42.48,-4.44,;40.94,-4.44,;40.94,-5.99,;42.48,-5.99,;43.57,-7.08,;43.16,-8.56,;44.25,-9.65,;45.74,-9.26,;46.14,-7.76,;45.05,-6.68,;39.85,-7.08,;38.36,-6.68,;40.24,-8.56,;39.16,-9.65,;39.55,-11.14,;41,-11.69,;42.36,-11,;43.65,-11.83,;43.57,-13.37,;42.2,-14.06,;40.92,-13.23,;39.43,-13.63,;38.74,-14.99,;37.21,-15.08,;36.37,-13.79,;37.07,-12.42,;38.59,-12.34,;39.85,-3.35,;40.25,-1.87,;39.16,-.78,;37.67,-1.18,;37.27,-2.68,;38.36,-3.76,)|

BDBM489725

OC(=O)[C@H]1[C@H]([C@@H]([C@@H]1c1ccccc1)C(=O)OCC(F)(F)F)c1ccccc1 |r,wU:6.7,5.14,wD:4.22,3.2,(-2.95,3.35,;-3.35,1.86,;-4.83,1.46,;-2.26,.77,;-2.26,-.77,;-.72,-.77,;-.72,.77,;.37,1.86,;1.86,1.46,;2.95,2.55,;2.55,4.04,;1.06,4.44,;-.03,3.35,;.37,-1.86,;-.03,-3.35,;1.86,-1.46,;2.95,-2.55,;2.55,-4.04,;1.06,-3.64,;4.04,-4.44,;2.15,-5.52,;-3.35,-1.86,;-4.83,-1.46,;-5.92,-2.55,;-5.52,-4.04,;-4.04,-4.44,;-2.95,-3.35,)|

BDBM489726

[O-]C(=O)C1C(C(C1c1ccccc1)C(=O)OC1CCCCC1)c1ccccc1 |(-.73,-7.04,;.04,-5.71,;-.73,-4.38,;1.58,-5.71,;2.67,-4.62,;3.76,-5.71,;2.67,-6.8,;2.67,-8.34,;4,-9.11,;4,-10.65,;2.67,-11.42,;1.33,-10.65,;1.33,-9.11,;5.3,-5.71,;6.07,-7.04,;6.07,-4.38,;7.61,-4.38,;8.38,-3.04,;9.92,-3.04,;10.69,-4.38,;9.92,-5.71,;8.38,-5.71,;2.67,-3.08,;1.33,-2.31,;1.33,-.77,;2.67,,;4,-.77,;4,-2.31,)|

BDBM50468468

CCOCCOCCOCCn1cc(nn1)-c1cccc(OC(=O)[C@H]2[C@H]([C@@H]([C@@H]2c2ccccc2)C(O)=O)c2ccccc2)c1 |r,wU:25.39,24.24,wD:26.36,27.29,(61.34,-8.29,;62.78,-7.74,;63.97,-8.72,;65.41,-8.18,;66.6,-9.15,;68.04,-8.61,;69.24,-9.58,;70.68,-9.04,;71.87,-10.02,;71.62,-11.54,;72.81,-12.52,;74.25,-11.97,;75.54,-12.82,;76.74,-11.85,;76.2,-10.42,;74.66,-10.49,;78.23,-12.26,;78.62,-13.75,;80.1,-14.15,;81.2,-13.07,;80.8,-11.58,;81.89,-10.49,;81.49,-9.01,;80,-8.61,;82.58,-7.92,;82.58,-6.38,;84.12,-6.38,;84.12,-7.92,;85.21,-9.01,;84.8,-10.49,;85.89,-11.58,;87.38,-11.18,;87.77,-9.69,;86.68,-8.61,;85.21,-5.29,;86.69,-5.69,;84.81,-3.8,;81.49,-5.29,;81.89,-3.81,;80.8,-2.72,;79.31,-3.12,;78.92,-4.61,;80.01,-5.7,;79.31,-11.19,)|

BDBM50468442

COc1cc(ccc1O)[C@H]1[C@@H]([C@@H]([C@H]1C(=O)Oc1cccc2ccccc12)c1ccc(O)c(OC)c1)C(O)=O |r,wU:9.9,12.14,wD:10.39,11.29,(2.99,-19.92,;4.08,-21,;5.57,-20.6,;6.66,-21.68,;8.14,-21.27,;8.54,-19.79,;7.45,-18.7,;5.96,-19.1,;4.87,-18.01,;9.22,-22.36,;10.77,-22.36,;10.77,-23.9,;9.22,-23.9,;8.14,-24.99,;6.65,-24.59,;8.53,-26.48,;7.45,-27.57,;5.96,-27.16,;4.87,-28.25,;5.27,-29.74,;6.77,-30.13,;7.17,-31.6,;8.65,-31.99,;9.72,-30.9,;9.32,-29.43,;7.85,-29.05,;11.85,-24.99,;11.45,-26.48,;12.54,-27.57,;14.03,-27.17,;15.12,-28.26,;14.42,-25.67,;15.91,-25.27,;17,-26.35,;13.33,-24.59,;11.85,-21.27,;13.34,-21.67,;11.46,-19.79,)|

BDBM50468443

COc1ccccc1[C@H]1[C@@H]([C@@H]([C@H]1C(=O)Oc1cccc2ccccc12)c1ccccc1OC)C(O)=O |r,wU:8.8,11.13,wD:9.37,10.28,(19.81,-24.23,;21.3,-23.82,;21.69,-22.33,;20.6,-21.25,;21,-19.75,;22.48,-19.36,;23.57,-20.44,;23.17,-21.93,;24.26,-23.01,;25.8,-23.01,;25.8,-24.55,;24.26,-24.55,;23.17,-25.64,;21.68,-25.25,;23.57,-27.13,;22.48,-28.22,;20.99,-27.81,;19.91,-28.9,;20.3,-30.39,;21.8,-30.78,;22.2,-32.25,;23.68,-32.65,;24.76,-31.55,;24.35,-30.08,;22.88,-29.7,;26.89,-25.64,;26.48,-27.13,;27.57,-28.22,;29.06,-27.82,;29.46,-26.33,;28.37,-25.24,;28.76,-23.75,;30.25,-23.35,;26.89,-21.93,;28.38,-22.32,;26.49,-20.44,)|

BDBM489731

OC(=O)[C@H]1[C@H]([C@@H]([C@@H]1c1ccc(O)cc1)C(=O)Oc1cccc2ccccc12)c1ccc(O)cc1 |r,wU:6.7,5.15,wD:4.30,3.2,(-3.35,3.35,;-3.75,1.86,;-5.23,1.46,;-2.66,.77,;-2.66,-.77,;-1.12,-.77,;-1.12,.77,;-.03,1.86,;1.46,1.46,;2.55,2.55,;2.15,4.04,;3.24,5.13,;.66,4.44,;-.43,3.35,;-.03,-1.86,;-.43,-3.35,;1.46,-1.46,;2.55,-2.55,;2.15,-4.04,;3.24,-5.13,;4.73,-4.73,;5.13,-3.24,;6.61,-2.84,;7.01,-1.35,;5.92,-.26,;4.44,-.66,;4.04,-2.15,;-3.75,-1.86,;-5.23,-1.46,;-6.32,-2.55,;-5.92,-4.04,;-7.01,-5.13,;-4.44,-4.44,;-3.35,-3.35,)|

BDBM489733

COc1ccccc1C1C(C(C1C(=O)O[C@@H]1CCCC[C@H]1c1ccccc1)c1ccccc1OC)C([O-])=O |wU:15.16,wD:20.23,(-8.95,1.63,;-7.61,.86,;-6.28,1.63,;-6.28,3.17,;-4.94,3.94,;-3.61,3.17,;-3.61,1.63,;-4.94,.86,;-4.94,-.68,;-6.03,-1.77,;-4.94,-2.85,;-3.86,-1.77,;-2.32,-1.77,;-1.55,-3.1,;-1.55,-.43,;-.01,-.43,;.76,-1.77,;2.3,-1.77,;3.07,-.43,;2.3,.9,;.76,.9,;-.01,2.24,;-1.55,2.24,;-2.32,3.57,;-1.55,4.9,;-.01,4.9,;.76,3.57,;-4.94,-4.39,;-6.28,-5.16,;-6.28,-6.7,;-4.94,-7.47,;-3.61,-6.7,;-3.61,-5.16,;-2.28,-4.39,;-.94,-5.16,;-7.57,-1.77,;-8.34,-3.1,;-8.34,-.43,)|

BDBM489734

OC(=O)[C@H]1[C@@H]([C@@H]([C@H]1c1ccccc1Cl)C(=O)OC1CCCC[C@H]1c1ccccc1)c1ccccc1Cl |r,wU:4.32,5.15,wD:6.7,22.25,3.2,(3.71,3.36,;2.22,3.76,;1.82,5.25,;1.13,2.67,;-.42,2.66,;-.42,1.12,;1.12,1.12,;2.2,.03,;1.81,-1.46,;2.89,-2.55,;4.38,-2.15,;4.78,-.66,;3.69,.43,;4.09,1.91,;-1.51,.03,;-3,.43,;-1.12,-1.46,;-2.2,-2.55,;-3.69,-2.15,;-4.78,-3.24,;-4.38,-4.73,;-2.89,-5.13,;-1.81,-4.04,;-.32,-4.44,;.08,-5.92,;1.57,-6.32,;2.66,-5.23,;2.26,-3.75,;.77,-3.35,;-1.51,3.75,;-3,3.35,;-4.09,4.44,;-3.69,5.92,;-2.2,6.32,;-1.12,5.23,;.37,5.63,)|

BDBM489736

OC(=O)[C@H]1[C@@H]([C@@H]([C@H]1c1c(Cl)cccc1Cl)C(=O)OC1CCCC[C@H]1c1ccccc1)c1c(Cl)cccc1Cl |r,wU:4.33,5.16,wD:6.7,23.26,3.2,(3.71,3.36,;2.22,3.76,;1.82,5.25,;1.13,2.67,;-.42,2.66,;-.42,1.12,;1.12,1.12,;2.2,.03,;3.69,.43,;4.09,1.91,;4.78,-.66,;4.38,-2.15,;2.89,-2.55,;1.81,-1.46,;.32,-1.86,;-1.51,.03,;-3,.43,;-1.12,-1.46,;-2.2,-2.55,;-3.69,-2.15,;-4.78,-3.24,;-4.38,-4.73,;-2.89,-5.13,;-1.81,-4.04,;-.32,-4.44,;.08,-5.92,;1.57,-6.32,;2.66,-5.23,;2.26,-3.75,;.77,-3.35,;-1.51,3.75,;-1.12,5.23,;.37,5.63,;-2.2,6.32,;-3.69,5.92,;-4.09,4.44,;-3,3.35,;-3.4,1.86,)|

BDBM489737

OC(=O)[C@H]1[C@@H]([C@@H]([C@H]1c1ccccc1Br)C(=O)OC1CCCC[C@H]1c1ccccc1)c1ccccc1Br |r,wU:4.32,5.15,wD:6.7,22.25,3.2,(3.71,3.36,;2.22,3.76,;1.82,5.25,;1.13,2.67,;-.42,2.66,;-.42,1.12,;1.12,1.12,;2.2,.03,;1.81,-1.46,;2.89,-2.55,;4.38,-2.15,;4.78,-.66,;3.69,.43,;4.09,1.91,;-1.51,.03,;-3,.43,;-1.12,-1.46,;-2.2,-2.55,;-3.69,-2.15,;-4.78,-3.24,;-4.38,-4.73,;-2.89,-5.13,;-1.81,-4.04,;-.32,-4.44,;.08,-5.92,;1.57,-6.32,;2.66,-5.23,;2.26,-3.75,;.77,-3.35,;-1.51,3.75,;-3,3.35,;-4.09,4.44,;-3.69,5.92,;-2.2,6.32,;-1.12,5.23,;.37,5.63,)|

BDBM50468478

COc1ccccc1[C@H]1[C@@H]([C@@H]([C@H]1C(=O)OCC1c2ccccc2-c2ccccc12)c1ccccc1OC)C(O)=O |r,wU:8.8,11.13,wD:9.42,10.33,(46.68,-34.73,;46.28,-36.21,;44.79,-36.61,;43.71,-35.52,;42.22,-35.92,;41.82,-37.42,;42.91,-38.5,;44.39,-38.09,;45.48,-39.18,;47.02,-39.18,;47.02,-40.72,;45.48,-40.72,;44.39,-41.81,;42.9,-41.41,;44.79,-43.3,;43.7,-44.39,;44.1,-45.87,;45.54,-46.42,;46.9,-45.73,;48.19,-46.56,;48.11,-48.1,;46.74,-48.79,;45.46,-47.96,;43.97,-48.36,;43.28,-49.72,;41.76,-49.81,;40.92,-48.52,;41.61,-47.15,;43.14,-47.07,;48.11,-41.81,;47.71,-43.3,;48.79,-44.39,;50.28,-43.99,;50.68,-42.49,;49.59,-41.41,;49.98,-39.92,;51.47,-39.52,;48.11,-38.09,;49.6,-38.49,;47.71,-36.6,)|

BDBM50468446

OC(=O)[C@H]1[C@@H]([C@@H]([C@H]1c1ccccc1Cl)C(=O)OCC1c2ccccc2-c2ccccc12)c1ccccc1Cl |r,wU:4.35,5.15,wD:3.2,6.7,(61.87,-38.23,;60.38,-37.83,;59.98,-36.34,;59.29,-38.92,;57.75,-38.92,;57.75,-40.46,;59.29,-40.46,;60.38,-41.55,;59.98,-43.04,;61.06,-44.13,;62.56,-43.73,;62.95,-42.24,;61.86,-41.15,;62.25,-39.66,;56.66,-41.55,;55.17,-41.15,;57.06,-43.04,;55.97,-44.13,;56.37,-45.62,;57.81,-46.17,;59.17,-45.48,;60.46,-46.3,;60.38,-47.85,;59.02,-48.54,;57.73,-47.71,;56.24,-48.11,;55.55,-49.47,;54.03,-49.56,;53.18,-48.27,;53.88,-46.9,;55.41,-46.82,;56.66,-37.83,;55.18,-38.24,;54.09,-37.16,;54.48,-35.66,;55.97,-35.26,;57.06,-36.35,;58.55,-35.96,)|

BDBM635733

OC(=O)[C@@H]1C([C@H]([C@@H]1c1ccccc1)C(=O)Oc1cc(ccc1C#N)-c1ccccc1)c1ccccc1 |r,wU:6.7,3.2,wD:5.14,(-5.6,-3.73,;-5.6,-2.19,;-6.94,-1.42,;-4.27,-1.42,;-2.78,-1.82,;-2.38,-.34,;-3.87,.06,;-4.64,1.4,;-3.87,2.73,;-4.64,4.06,;-6.18,4.06,;-6.95,2.73,;-6.18,1.4,;-1.05,.43,;.28,-.34,;-1.05,1.97,;.28,2.74,;1.62,1.97,;2.95,2.74,;2.95,4.28,;1.62,5.05,;.24,4.31,;-1.1,5.08,;-2.43,5.85,;4.28,1.97,;4.28,.43,;5.62,-.34,;6.95,.43,;6.95,1.97,;5.62,2.74,;-2.01,-3.16,;-2.78,-4.49,;-2.01,-5.82,;-.47,-5.82,;.3,-4.49,;-.47,-3.16,)|

BDBM635735

COc1ccccc1C1[C@H]([C@H]([C@@H]1C(=O)Oc1cc(ccc1C#N)-c1ccccc1)c1ccccc1OC)C(O)=O |r,wU:10.32,9.41,wD:11.13,(1.87,-1.78,;.33,-1.78,;-.45,-3.11,;.3,-4.49,;-.47,-5.82,;-2.01,-5.82,;-2.78,-4.49,;-2.01,-3.16,;-2.78,-1.82,;-4.27,-1.42,;-3.87,.06,;-2.38,-.34,;-1.05,.43,;.28,-.34,;-1.05,1.97,;.28,2.74,;1.62,1.97,;2.95,2.74,;2.95,4.28,;1.62,5.05,;.24,4.31,;-1.1,5.08,;-2.43,5.85,;4.28,1.97,;4.28,.43,;5.62,-.34,;6.95,.43,;6.95,1.97,;5.62,2.74,;-4.64,1.4,;-3.87,2.73,;-4.64,4.06,;-6.18,4.06,;-6.95,2.73,;-6.18,1.4,;-6.95,.06,;-8.47,.33,;-5.6,-2.19,;-5.6,-3.73,;-6.94,-1.42,)|

BDBM635745

OC(=O)[C@@H]1C([C@H]([C@@H]1c1ccccc1)C(=O)Oc1cccc(c1)-c1ccc2OCOc2c1)c1ccccc1 |r,wU:6.7,3.2,wD:5.14,(-6.79,-3.35,;-6.79,-1.81,;-8.12,-1.04,;-5.46,-1.04,;-3.97,-1.44,;-3.57,.05,;-5.06,.45,;-5.83,1.78,;-5.06,3.12,;-5.83,4.45,;-7.37,4.45,;-8.14,3.12,;-7.37,1.78,;-2.24,.82,;-.9,.05,;-2.24,2.36,;-.9,3.13,;-.9,4.67,;.43,5.44,;1.77,4.67,;1.77,3.13,;.43,2.36,;3.1,2.36,;3.1,.82,;4.43,.05,;5.77,.82,;7.23,.34,;8.14,1.59,;7.23,2.84,;5.77,2.36,;4.43,3.13,;-3.2,-2.77,;-3.97,-4.11,;-3.2,-5.44,;-1.66,-5.44,;-.89,-4.11,;-1.66,-2.77,)|

BDBM635747

COc1ccccc1C1[C@H]([C@H]([C@@H]1C(=O)Oc1cccc(c1)-c1ccc2OCOc2c1)c1ccccc1OC)C(O)=O |r,wU:10.34,9.43,wD:11.13,(.68,-1.39,;-.86,-1.39,;-1.63,-2.72,;-.89,-4.11,;-1.66,-5.44,;-3.2,-5.44,;-3.97,-4.11,;-3.2,-2.77,;-3.97,-1.44,;-5.46,-1.04,;-5.06,.45,;-3.57,.05,;-2.24,.82,;-.9,.05,;-2.24,2.36,;-.9,3.13,;-.9,4.67,;.43,5.44,;1.77,4.67,;1.77,3.13,;.43,2.36,;3.1,2.36,;3.1,.82,;4.43,.05,;5.77,.82,;7.23,.34,;8.14,1.59,;7.23,2.84,;5.77,2.36,;4.43,3.13,;-5.83,1.78,;-5.06,3.12,;-5.83,4.45,;-7.37,4.45,;-8.14,3.12,;-7.37,1.78,;-8.14,.45,;-9.65,.72,;-6.79,-1.81,;-6.79,-3.35,;-8.12,-1.04,)|

BDBM635748

COc1ccccc1C1[C@H]([C@H]([C@@H]1C(=O)Oc1cccc(c1)-c1ccc(F)cc1)c1ccccc1OC)C(O)=O |r,wU:10.31,9.40,wD:11.13,(1.94,-1.44,;.4,-1.44,;-.37,-2.77,;.4,-4.11,;-.37,-5.44,;-1.91,-5.44,;-2.68,-4.11,;-1.91,-2.77,;-2.68,-1.44,;-4.17,-1.04,;-3.77,.45,;-2.28,.05,;-.95,.82,;.39,.05,;-.95,2.36,;.39,3.13,;.39,4.67,;1.72,5.44,;3.05,4.67,;3.05,3.13,;1.72,2.36,;4.39,2.36,;4.39,.82,;5.72,.05,;7.05,.82,;8.39,.05,;7.05,2.36,;5.72,3.13,;-4.54,1.78,;-3.77,3.12,;-4.54,4.45,;-6.08,4.45,;-6.85,3.12,;-6.08,1.78,;-6.85,.45,;-8.39,.45,;-5.5,-1.81,;-5.5,-3.35,;-6.83,-1.04,)|

BDBM635749

OC(=O)[C@@H]1C([C@H]([C@@H]1c1ccccc1)C(=O)Oc1cccc(c1)-c1ccc2CC(=O)Nc2c1)c1ccccc1 |r,wU:6.7,3.2,wD:5.14,(-7.56,-3.35,;-7.56,-1.81,;-8.89,-1.04,;-6.23,-1.04,;-4.74,-1.44,;-4.34,.05,;-5.83,.45,;-6.6,1.78,;-5.83,3.12,;-6.6,4.45,;-8.14,4.45,;-8.91,3.12,;-8.14,1.78,;-3.01,.82,;-1.67,.05,;-3.01,2.36,;-1.67,3.13,;-1.67,4.67,;-.34,5.44,;1,4.67,;1,3.13,;-.34,2.36,;2.33,2.36,;2.33,.82,;3.66,.05,;5,.82,;6.46,.34,;7.37,1.59,;8.91,1.59,;6.46,2.84,;5,2.36,;3.66,3.13,;-3.97,-2.77,;-4.74,-4.11,;-3.97,-5.44,;-2.43,-5.44,;-1.66,-4.11,;-2.43,-2.77,)|

BDBM635750

COc1ccccc1C1[C@H]([C@H]([C@@H]1C(=O)Oc1cccc(c1)-c1cccc2OCCOc12)c1ccccc1OC)C(O)=O |r,wU:10.35,9.44,wD:11.13,(1.86,-1.39,;.32,-1.39,;-.45,-2.72,;.3,-4.11,;-.47,-5.44,;-2.01,-5.44,;-2.78,-4.11,;-2.01,-2.77,;-2.78,-1.44,;-4.27,-1.04,;-3.87,.45,;-2.38,.05,;-1.05,.82,;.28,.05,;-1.05,2.36,;.28,3.13,;.28,4.67,;1.62,5.44,;2.95,4.67,;2.95,3.13,;1.62,2.36,;4.28,2.36,;5.62,3.13,;6.95,2.36,;6.95,.82,;5.62,.05,;5.62,-1.49,;4.28,-2.26,;2.95,-1.49,;2.95,.05,;4.28,.82,;-4.64,1.78,;-3.87,3.12,;-4.64,4.45,;-6.18,4.45,;-6.95,3.12,;-6.18,1.78,;-6.95,.45,;-8.47,.72,;-5.6,-1.81,;-5.6,-3.35,;-6.94,-1.04,)|

BDBM635751

OC(=O)[C@@H]1C([C@H]([C@@H]1c1ccccc1)C(=O)Oc1cccc(c1)-c1ccc2NC(=O)CCc2c1)c1ccccc1 |r,wU:6.7,3.2,wD:5.14,(-6.94,-3.35,;-6.94,-1.81,;-8.27,-1.04,;-5.6,-1.04,;-4.12,-1.44,;-3.72,.05,;-5.21,.45,;-5.98,1.78,;-5.21,3.12,;-5.98,4.45,;-7.52,4.45,;-8.29,3.12,;-7.52,1.78,;-2.38,.82,;-1.05,.05,;-2.38,2.36,;-1.05,3.13,;-1.05,4.67,;.28,5.44,;1.62,4.67,;1.62,3.13,;.28,2.36,;2.95,2.36,;4.28,3.13,;5.62,2.36,;5.62,.82,;6.95,.05,;6.95,-1.49,;8.29,-2.26,;5.62,-2.26,;4.28,-1.49,;4.28,.05,;2.95,.82,;-3.35,-2.77,;-4.12,-4.11,;-3.35,-5.44,;-1.81,-5.44,;-1.04,-4.11,;-1.81,-2.77,)|

BDBM635752

OC(=O)[C@@H]1C([C@H]([C@@H]1c1ccccc1)C(=O)Oc1ccccc1-c1ccc2OCOc2c1)c1ccccc1 |r,wU:6.7,3.2,wD:5.14,(-3.6,-5.34,;-3.6,-3.8,;-4.94,-3.03,;-2.27,-3.03,;-.78,-3.43,;-.38,-1.94,;-1.87,-1.54,;-2.64,-.21,;-1.87,1.13,;-2.64,2.46,;-4.18,2.46,;-4.95,1.13,;-4.18,-.21,;.95,-1.17,;2.28,-1.94,;.95,.37,;2.28,1.14,;3.62,.37,;4.95,1.14,;4.95,2.68,;3.62,3.45,;2.28,2.68,;.95,3.45,;-.38,2.68,;-1.72,3.45,;-1.72,4.99,;-2.86,6.02,;-2.24,7.43,;-.7,7.27,;-.38,5.76,;.95,4.99,;-.01,-4.76,;-.78,-6.09,;-.01,-7.43,;1.53,-7.43,;2.3,-6.09,;1.53,-4.76,)|

BDBM635753

COc1ccccc1C1[C@H]([C@H]([C@@H]1C(=O)Oc1cccc(c1)-c1ccc2CC(=O)Nc2c1)c1ccccc1OC)C(O)=O |r,wU:10.35,9.44,wD:11.13,(-.09,-1.39,;-1.63,-1.39,;-2.4,-2.72,;-1.66,-4.11,;-2.43,-5.44,;-3.97,-5.44,;-4.74,-4.11,;-3.97,-2.77,;-4.74,-1.44,;-6.23,-1.04,;-5.83,.45,;-4.34,.05,;-3.01,.82,;-1.67,.05,;-3.01,2.36,;-1.67,3.13,;-1.67,4.67,;-.34,5.44,;1,4.67,;1,3.13,;-.34,2.36,;2.33,2.36,;2.33,.82,;3.66,.05,;5,.82,;6.46,.34,;7.37,1.59,;8.91,1.59,;6.46,2.84,;5,2.36,;3.66,3.13,;-6.6,1.78,;-5.83,3.12,;-6.6,4.45,;-8.14,4.45,;-8.91,3.12,;-8.14,1.78,;-8.91,.45,;-10.42,.72,;-7.56,-1.81,;-7.56,-3.35,;-8.89,-1.04,)|

BDBM635754

COc1ccccc1[C@@H]1[C@@H]([C@H]([C@H]1C(=O)Oc1ccc2cc(ccc2c1)-c1cncnc1)c1ccccc1OC)C(O)=O |r,wU:9.44,8.8,wD:10.35,11.13,(-8.55,-3.43,;-7.01,-3.29,;-6.61,-1.81,;-7.7,-.72,;-7.3,.77,;-5.82,1.17,;-4.73,.08,;-5.13,-1.41,;-4.04,-2.5,;-4.04,-4.04,;-2.5,-4.04,;-2.5,-2.5,;-1.41,-1.41,;.08,-1.81,;-1.81,.08,;-.72,1.17,;-1.12,2.66,;-.03,3.75,;1.46,3.35,;2.55,4.44,;4.04,4.04,;4.44,2.55,;3.35,1.46,;1.86,1.86,;.77,.77,;5.13,5.13,;6.61,4.73,;7.7,5.82,;7.3,7.3,;5.82,7.7,;4.73,6.61,;-1.41,-5.13,;-1.81,-6.61,;-.72,-7.7,;.77,-7.3,;1.17,-5.82,;.13,-4.59,;.53,-3.11,;2.02,-2.72,;-5.13,-5.13,;-4.73,-6.61,;-6.61,-4.73,)|

BDBM635755

COc1ccccc1C1[C@H]([C@H]([C@@H]1C(=O)OC1Cc2ccccc2C1)c1ccccc1OC)C(O)=O |r,wU:10.27,9.36,wD:11.13,(2.83,-1.83,;1.29,-1.83,;.52,-3.16,;1.26,-4.54,;.49,-5.88,;-1.05,-5.88,;-1.82,-4.54,;-1.05,-3.21,;-1.82,-1.88,;-3.31,-1.48,;-2.91,.01,;-1.42,-.39,;-.09,.38,;1.24,-.39,;-.09,1.92,;1.24,2.69,;2.65,2.07,;3.68,3.21,;5.22,3.21,;5.99,4.54,;5.22,5.88,;3.68,5.88,;2.91,4.54,;1.4,4.22,;-3.68,1.34,;-2.91,2.68,;-3.68,4.01,;-5.22,4.01,;-5.99,2.68,;-5.22,1.34,;-5.99,.01,;-7.51,.28,;-4.64,-2.25,;-4.64,-3.79,;-5.98,-1.48,)|

BDBM635756

COc1ccccc1C1[C@H]([C@H]([C@@H]1C(=O)Oc1cccc(c1)-c1ccc2OCCOc2c1)c1ccccc1OC)C(O)=O |r,wU:10.35,9.44,wD:11.13,(1.94,-1.44,;.4,-1.44,;-.37,-2.77,;.4,-4.11,;-.37,-5.44,;-1.91,-5.44,;-2.68,-4.11,;-1.91,-2.77,;-2.68,-1.44,;-4.17,-1.04,;-3.77,.45,;-2.28,.05,;-.95,.82,;.39,.05,;-.95,2.36,;.39,3.13,;.39,4.67,;1.72,5.44,;3.05,4.67,;3.05,3.13,;1.72,2.36,;4.39,2.36,;5.72,3.13,;7.05,2.36,;7.05,.82,;8.39,.05,;8.39,-1.49,;7.05,-2.26,;5.72,-1.49,;5.72,.05,;4.39,.82,;-4.54,1.78,;-3.77,3.12,;-4.54,4.45,;-6.08,4.45,;-6.85,3.12,;-6.08,1.78,;-6.85,.45,;-8.39,.45,;-5.5,-1.81,;-5.5,-3.35,;-6.83,-1.04,)|

BDBM635757

COc1ccccc1[C@@H]1[C@@H]([C@H](C1C(=O)Oc1ccccc1-c1ccc2OCOc2c1)c1ccccc1OC)C(O)=O |r,wU:9.43,8.8,wD:10.34,(-7.36,.03,;-5.85,.35,;-5.37,1.81,;-6.41,2.95,;-5.93,4.42,;-4.42,4.74,;-3.39,3.59,;-3.87,2.13,;-2.84,.99,;-2.92,-.55,;-1.38,-.63,;-1.3,.9,;-.16,1.94,;-.48,3.44,;1.31,1.46,;2.45,2.49,;2.13,4,;3.28,5.03,;4.74,4.55,;5.06,3.04,;3.92,2.01,;4.24,.51,;3.09,-.52,;3.41,-2.03,;4.88,-2.5,;5.51,-3.91,;7.04,-3.75,;7.36,-2.24,;6.02,-1.47,;5.7,.03,;-.35,-1.78,;1.16,-1.46,;2.19,-2.6,;1.71,-4.07,;.2,-4.39,;-.83,-3.24,;-2.33,-3.56,;-2.81,-5.03,;-4.06,-1.58,;-5.53,-1.11,;-3.74,-3.09,)|

BDBM635758

COc1ccccc1[C@H]1[C@@H]([C@@H]([C@H]1C(=O)Oc1ccccc1-c1ccccc1)c1ccccc1OC)C(O)=O |r,wU:8.8,11.13,wD:9.39,10.30,(4.94,-1.34,;3.45,-1.73,;3.05,-3.21,;4.09,-4.44,;3.69,-5.92,;2.2,-6.32,;1.12,-5.23,;1.51,-3.75,;.42,-2.66,;-1.12,-2.66,;-1.12,-1.12,;.42,-1.12,;1.51,-.03,;3,-.43,;1.12,1.46,;2.2,2.55,;3.69,2.15,;4.78,3.24,;4.38,4.73,;2.89,5.13,;1.81,4.04,;.32,4.44,;-.08,5.92,;-1.57,6.32,;-2.66,5.23,;-2.26,3.75,;-.77,3.35,;-2.2,-.03,;-1.81,1.46,;-2.89,2.55,;-4.38,2.15,;-4.78,.66,;-3.69,-.43,;-4.09,-1.91,;-5.62,-2.05,;-2.2,-3.75,;-3.69,-3.35,;-1.81,-5.23,)|

BDBM635759

COc1ccccc1C1[C@H]([C@H]([C@@H]1C(=O)Oc1cccc(c1)-c1ccc(cc1)C#N)c1ccccc1OC)C(O)=O |r,wU:10.32,9.41,wD:11.13,(1.27,-1.44,;-.27,-1.44,;-1.04,-2.77,;-.27,-4.11,;-1.04,-5.44,;-2.58,-5.44,;-3.35,-4.11,;-2.58,-2.77,;-3.35,-1.44,;-4.83,-1.04,;-4.44,.45,;-2.95,.05,;-1.61,.82,;-.28,.05,;-1.61,2.36,;-.28,3.13,;-.28,4.67,;1.05,5.44,;2.39,4.67,;2.39,3.13,;1.05,2.36,;3.72,2.36,;3.72,.82,;5.05,.05,;6.44,.79,;6.39,2.36,;5.05,3.13,;7.77,.02,;9.1,-.75,;-5.21,1.78,;-4.44,3.12,;-5.21,4.45,;-6.75,4.45,;-7.52,3.12,;-6.75,1.78,;-7.52,.45,;-9.06,.45,;-6.17,-1.81,;-6.17,-3.35,;-7.5,-1.04,)|

BDBM635760

COc1ccccc1[C@H]1[C@@H]([C@@H]([C@H]1C(=O)OCc1cccc2ccccc12)c1ccccc1OC)C(O)=O |r,wU:8.8,11.13,wD:9.38,10.29,(-2.66,-5.23,;-2.26,-3.75,;-.77,-3.35,;.32,-4.44,;1.81,-4.04,;2.2,-2.55,;1.11,-1.46,;-.37,-1.86,;-1.46,-.77,;-3,-.77,;-3,.77,;-1.46,.77,;-.37,1.86,;-.77,3.35,;1.11,1.46,;2.2,2.55,;3.69,2.16,;4.77,3.26,;6.26,2.87,;6.67,1.38,;5.58,.29,;5.99,-1.2,;4.91,-2.29,;3.42,-1.9,;3.01,-.42,;4.09,.68,;-4.09,1.86,;-5.58,1.46,;-6.67,2.55,;-6.27,4.04,;-4.78,4.44,;-3.69,3.35,;-2.2,3.75,;-1.81,5.23,;-4.09,-1.86,;-5.58,-1.46,;-3.69,-3.35,)|

BDBM635761

OC(=O)[C@H]1[C@@H]([C@@H]([C@H]1c1ccccc1)C(=O)OCc1cccc2ccccc12)c1ccccc1 |r,wU:4.30,5.14,wD:3.2,6.7,(-3.09,-4.98,;-3.49,-3.49,;-4.98,-3.09,;-2.4,-2.4,;-.86,-2.4,;-.86,-.86,;-2.4,-.86,;-3.49,.23,;-3.09,1.71,;-4.18,2.8,;-5.67,2.4,;-6.07,.92,;-4.98,-.17,;.23,.23,;1.71,-.17,;-.17,1.71,;.92,2.8,;2.4,2.4,;2.8,.92,;4.29,.52,;5.38,1.61,;4.98,3.09,;6.07,4.18,;5.67,5.67,;4.18,6.07,;3.09,4.98,;3.49,3.49,;.23,-3.49,;-.17,-4.98,;.92,-6.07,;2.4,-5.67,;2.8,-4.18,;1.71,-3.09,)|

BDBM635762

COc1ccccc1C1[C@H]([C@H]([C@@H]1C(=O)Oc1ccccc1-c1ccc2OCCOc2c1)c1ccccc1OC)C(O)=O |r,wU:10.35,9.44,wD:11.13,(-4.43,-4.22,;-3.66,-2.89,;-2.12,-2.89,;-1.35,-4.22,;.19,-4.22,;.96,-2.89,;.19,-1.56,;-1.35,-1.56,;-2.12,-.22,;-3.6,.18,;-3.2,1.66,;-1.72,1.27,;-.38,2.04,;-.38,3.58,;.95,1.27,;2.28,2.04,;2.28,3.58,;3.62,4.35,;4.95,3.58,;4.95,2.04,;3.62,1.27,;3.62,-.27,;2.28,-1.04,;2.28,-2.58,;3.62,-3.35,;3.62,-4.89,;4.95,-5.66,;6.28,-4.89,;6.28,-3.35,;4.95,-2.58,;4.95,-1.04,;-3.97,3,;-5.51,3,;-6.28,4.33,;-5.51,5.66,;-3.97,5.66,;-3.2,4.33,;-1.66,4.33,;-.89,5.66,;-4.94,-.59,;-6.27,.18,;-4.94,-2.13,)|

BDBM635763

COc1ccccc1[C@H]1[C@@H]([C@@H]([C@H]1C(=O)OCC1(F)c2ccccc2-c2ccccc12)c1ccccc1OC)C(O)=O |r,wU:8.8,11.13,wD:9.43,10.34,(4.82,-2.16,;3.34,-2.56,;2.93,-4.04,;3.97,-5.26,;3.58,-6.75,;2.09,-7.15,;1,-6.06,;1.4,-4.57,;.31,-3.48,;-1.23,-3.48,;-1.23,-1.94,;.31,-1.94,;1.4,-.86,;2.89,-1.25,;1,.63,;2.09,1.72,;1.69,3.21,;3.2,2.89,;2.66,4.41,;4.2,4.49,;4.9,5.86,;4.06,7.15,;2.52,7.07,;1.82,5.7,;.33,5.3,;-.96,6.14,;-2.33,5.44,;-2.41,3.9,;-1.12,3.06,;.25,3.76,;-2.32,-.86,;-1.92,.63,;-3.01,1.72,;-4.5,1.32,;-4.9,-.17,;-3.81,-1.25,;-4.21,-2.74,;-5.74,-2.88,;-2.32,-4.57,;-1.92,-6.06,;-3.81,-4.17,)|

BDBM635764

OC(=O)[C@H]1[C@@H]([C@@H]([C@H]1c1ccccc1)C(=O)Oc1cccc(c1)-c1ccc2CCC(=O)Nc2c1)c1ccccc1 |r,wU:4.37,5.14,wD:3.2,6.7,(-5.67,-4.73,;-6.07,-3.24,;-7.56,-2.84,;-4.98,-2.15,;-3.44,-2.15,;-3.44,-.61,;-4.98,-.61,;-6.07,.48,;-5.67,1.97,;-6.76,3.05,;-8.25,2.66,;-8.65,1.17,;-7.56,.08,;-2.35,.48,;-.86,.08,;-2.75,1.97,;-1.66,3.05,;-2.06,4.54,;-.97,5.63,;.52,5.23,;.92,3.75,;-.17,2.66,;2.4,3.35,;2.8,1.86,;4.29,1.46,;5.38,2.55,;6.87,2.15,;7.95,3.24,;7.56,4.73,;8.65,5.82,;6.07,5.13,;4.98,4.04,;3.49,4.44,;-2.35,-3.24,;-2.75,-4.73,;-1.66,-5.82,;-.17,-5.42,;.23,-3.93,;-.86,-2.84,)|

BDBM635765

OC(=O)[C@H]1[C@H]([C@@H]([C@@H]1c1ccccc1)C(=O)OC1Cc2ccccc2C1)c1ccccc1 |r,wU:6.7,5.14,wD:3.2,4.28,(-5.4,2.57,;-3.91,2.97,;-3.51,4.46,;-2.82,1.88,;-2.82,.34,;-1.28,.34,;-1.28,1.88,;-.19,2.97,;1.29,2.57,;2.38,3.66,;1.98,5.15,;.5,5.55,;-.59,4.46,;-.19,-.75,;-.59,-2.24,;1.29,-.35,;2.38,-1.44,;2.14,-2.96,;3.51,-3.66,;3.91,-5.15,;5.4,-5.55,;6.49,-4.46,;6.09,-2.97,;4.6,-2.57,;3.9,-1.2,;-3.91,-.75,;-5.4,-.35,;-6.49,-1.44,;-6.09,-2.93,;-4.6,-3.33,;-3.51,-2.24,)|

BDBM50468433

c1ccc(cc1)[C@H]2C([C@@H](C2C(=O)Oc3cccc4c3cccc4)c5ccccc5)C(=O)O

BDBM635770

COc1ccccc1[C@H]1[C@@H]([C@@H]([C@@H]1C(=O)Oc1cccc(c1)-c1ccc2OCOc2c1)c1ccccc1OC)C(O)=O |r,wU:9.43,11.13,10.34,wD:8.8,(-9.4,-.37,;-7.91,.03,;-7.51,1.51,;-8.6,2.6,;-8.2,4.09,;-6.71,4.49,;-5.63,3.4,;-6.02,1.91,;-4.94,.82,;-4.94,-.72,;-3.4,-.72,;-3.4,.82,;-2.31,1.91,;-2.71,3.4,;-.82,1.51,;.27,2.6,;-.13,4.09,;.96,5.18,;2.45,4.78,;2.85,3.29,;1.76,2.2,;4.33,2.89,;4.73,1.41,;6.22,1.01,;7.31,2.1,;8.85,2.02,;9.4,3.45,;8.2,4.42,;6.91,3.58,;5.42,3.98,;-2.31,-1.81,;-.82,-1.41,;.27,-2.5,;-.13,-3.98,;-1.62,-4.38,;-2.71,-3.29,;-4.19,-3.69,;-4.59,-5.18,;-6.02,-1.81,;-7.51,-1.41,;-5.63,-3.29,)|

BDBM635771

OC(=O)C1[C@@H]([C@@H]([C@H]1c1ccccc1)C(=O)Oc1cc(ccc1C#N)-c1ccccc1)c1ccccc1 |r,wU:4.33,5.14,wD:6.7,(-5.91,-3.3,;-4.37,-3.3,;-3.6,-4.63,;-3.6,-1.96,;-2.11,-1.57,;-2.51,-.08,;-4,-.48,;-5.33,.29,;-5.33,1.83,;-6.66,2.6,;-8,1.83,;-8,.29,;-6.66,-.48,;-1.74,1.26,;-2.51,2.59,;-.2,1.26,;.96,2.07,;2.45,1.67,;3.54,2.76,;3.14,4.25,;1.65,4.65,;.47,3.62,;-1.02,4.04,;-2.5,4.45,;5.02,2.36,;5.42,.87,;6.91,.48,;8,1.56,;7.6,3.05,;6.11,3.45,;-.78,-2.34,;-.78,-3.88,;.56,-4.65,;1.89,-3.88,;1.89,-2.34,;.56,-1.57,)|

BDBM635772

COc1ccccc1[C@H]1[C@@H]([C@@H]([C@@H]1C(=O)Oc1cccc(c1)-c1cccc2OCCOc12)c1ccccc1OC)C(O)=O |r,wU:9.44,11.13,10.35,wD:8.8,(-8.2,-2.14,;-6.67,-2.01,;-6.27,-.52,;-7.36,.57,;-6.96,2.06,;-5.47,2.46,;-4.38,1.37,;-4.78,-.12,;-3.69,-1.21,;-3.69,-2.75,;-2.15,-2.75,;-2.15,-1.21,;-1.06,-.12,;.42,-.52,;-1.46,1.37,;-.37,2.46,;-.77,3.94,;.32,5.03,;1.81,4.63,;2.2,3.15,;1.12,2.06,;3.69,2.75,;4.09,1.26,;5.58,.86,;6.67,1.95,;6.27,3.44,;7.36,4.53,;6.96,6.02,;5.47,6.41,;4.38,5.33,;4.78,3.84,;-1.06,-3.84,;-1.46,-5.33,;-.37,-6.41,;1.12,-6.02,;1.51,-4.53,;.45,-3.3,;.84,-1.81,;2.33,-1.41,;-4.78,-3.84,;-6.27,-3.44,;-4.38,-5.33,)|

BDBM635773

OC(=O)[C@@H]1C([C@@H]([C@@H]1c1ccccc1)C(=O)Oc1ccccc1-c1ccc(cc1)C#N)c1ccccc1 |r,wU:3.2,6.7,5.14,(-5.6,.56,;-4.27,-.21,;-4.27,-1.75,;-2.94,.56,;-1.45,.16,;-1.05,1.65,;-2.54,2.05,;-3.31,3.38,;-2.54,4.72,;-3.31,6.05,;-4.85,6.05,;-5.62,4.72,;-4.85,3.38,;.28,2.42,;.28,3.96,;1.62,1.65,;2.95,2.42,;2.95,3.96,;4.28,4.73,;5.62,3.96,;5.62,2.42,;4.28,1.65,;4.28,.11,;2.95,-.66,;2.95,-2.2,;4.28,-3.03,;5.62,-2.2,;5.62,-.66,;4.28,-4.57,;4.28,-6.11,;-.68,-1.17,;-1.45,-2.5,;-.68,-3.84,;.86,-3.84,;1.63,-2.5,;.86,-1.17,)|

BDBM635774

COc1ccccc1[C@H]1[C@@H]([C@@H]([C@@H]1C(=O)Oc1cccc(c1)-c1ccc(F)cc1)c1ccccc1OC)C(O)=O |r,wU:9.40,11.13,10.31,wD:8.8,(-9.54,-.51,;-8.01,-.37,;-7.61,1.12,;-8.7,2.2,;-8.3,3.69,;-6.81,4.09,;-5.72,3,;-6.12,1.51,;-5.03,.42,;-5.03,-1.12,;-3.49,-1.12,;-3.49,.42,;-2.4,1.51,;-2.8,3,;-.92,1.12,;.17,2.2,;-.23,3.69,;.86,4.78,;2.35,4.38,;2.75,2.89,;1.66,1.81,;4.24,2.5,;4.63,1.01,;6.12,.61,;7.21,1.7,;8.7,1.3,;6.81,3.19,;5.32,3.58,;-2.4,-2.2,;-2.8,-3.69,;-1.71,-4.78,;-.23,-4.38,;.17,-2.89,;-.89,-1.67,;-.5,-.18,;.99,.22,;-6.12,-2.2,;-7.61,-1.81,;-5.72,-3.69,)|

BDBM635775

COc1ccccc1[C@H]1[C@@H]([C@@H]([C@@H]1C(=O)Oc1cccc2ccccc12)c1ccccc1OC)C(O)=O |r,wU:9.37,11.13,10.28,wD:8.8,(-7.51,-.51,;-5.98,-.37,;-5.58,1.12,;-6.67,2.2,;-6.27,3.69,;-4.78,4.09,;-3.69,3,;-4.09,1.51,;-3,.42,;-3,-1.12,;-1.46,-1.12,;-1.46,.42,;-.37,1.51,;-.77,3,;1.12,1.12,;2.2,2.2,;1.81,3.69,;2.89,4.78,;4.38,4.38,;4.78,2.89,;6.27,2.5,;6.67,1.01,;5.58,-.08,;4.09,.32,;3.69,1.81,;-.37,-2.2,;-.77,-3.69,;.32,-4.78,;1.81,-4.38,;2.2,-2.89,;1.14,-1.67,;1.53,-.18,;3.02,.22,;-4.09,-2.2,;-5.58,-1.81,;-3.69,-3.69,)|

BDBM635776

COc1ccccc1C1[C@H]([C@H]([C@H]1C(=O)Oc1cccc(c1)-c1ccc(cc1)C#N)c1ccccc1OC)C(O)=O |r,wU:9.41,10.32,11.13,(.53,-1.39,;-1.01,-1.39,;-1.78,-2.72,;-1.04,-4.11,;-1.81,-5.44,;-3.35,-5.44,;-4.12,-4.11,;-3.35,-2.77,;-4.12,-1.44,;-5.6,-1.04,;-5.21,.45,;-3.72,.05,;-2.38,.82,;-1.05,.05,;-2.38,2.36,;-1.05,3.13,;-1.05,4.67,;.28,5.44,;1.62,4.67,;1.62,3.13,;.28,2.36,;2.95,2.36,;2.95,.82,;4.28,.05,;5.67,.79,;5.62,2.36,;4.28,3.13,;7,.02,;8.33,-.75,;-5.98,1.78,;-5.21,3.12,;-5.98,4.45,;-7.52,4.45,;-8.29,3.12,;-7.52,1.78,;-8.29,.45,;-9.8,.72,;-6.94,-1.81,;-6.94,-3.35,;-8.27,-1.04,)|

BDBM635777

COc1ccccc1C1[C@H]([C@H]([C@H]1C(=O)Oc1ccccc1-c1ccc(cc1)C#N)c1ccccc1OC)C(O)=O |r,wU:9.41,10.32,11.13,(-3.34,-4.39,;-2.94,-2.9,;-1.45,-2.5,;-.68,-3.84,;.86,-3.84,;1.63,-2.5,;.86,-1.17,;-.68,-1.17,;-1.45,.16,;-2.94,.56,;-2.54,2.05,;-1.05,1.65,;.28,2.42,;.28,3.96,;1.62,1.65,;2.95,2.42,;2.95,3.96,;4.28,4.73,;5.62,3.96,;5.62,2.42,;4.28,1.65,;4.28,.11,;2.95,-.66,;2.95,-2.2,;4.28,-3.03,;5.62,-2.2,;5.62,-.66,;4.28,-4.57,;4.28,-6.11,;-3.31,3.38,;-4.85,3.38,;-5.62,4.72,;-4.85,6.05,;-3.31,6.05,;-2.54,4.72,;-1,4.72,;-.23,6.05,;-4.27,-.21,;-5.6,.56,;-4.27,-1.75,)|

BDBM635778

OC(=O)[C@H]1[C@H]([C@H]([C@@H]1c1ccccc1)C(=O)Oc1cccc(c1)-c1ccc2CC(=O)Nc2c1)c1ccccc1 |r,wU:4.36,3.2,5.14,wD:6.7,(-7.98,-1.81,;-6.49,-2.2,;-6.09,-3.69,;-5.4,-1.12,;-5.4,.42,;-3.86,.42,;-3.86,-1.12,;-2.77,-2.2,;-3.17,-3.69,;-2.08,-4.78,;-.59,-4.38,;-.19,-2.89,;-1.28,-1.81,;-2.77,1.51,;-3.17,3,;-1.28,1.12,;-.19,2.2,;-.59,3.69,;.5,4.78,;1.98,4.38,;2.38,2.89,;1.29,1.81,;3.87,2.5,;4.96,3.58,;6.45,3.19,;6.84,1.7,;8.22,1,;7.98,-.52,;9.06,-1.61,;6.45,-.76,;5.76,.61,;4.27,1.01,;-6.49,1.51,;-6.09,3,;-7.18,4.09,;-8.67,3.69,;-9.06,2.2,;-7.98,1.12,)|

BDBM635779

OC(=O)[C@@H]1C([C@@H]([C@@H]1c1ccccc1)C(=O)Oc1cccc(c1)-c1ccc2CCC(=O)Nc2c1)c1ccccc1 |r,wU:3.2,6.7,5.14,(-7.6,-3.35,;-7.6,-1.81,;-8.94,-1.04,;-6.27,-1.04,;-4.78,-1.44,;-4.38,.05,;-5.87,.45,;-6.64,1.78,;-5.87,3.12,;-6.64,4.45,;-8.18,4.45,;-8.95,3.12,;-8.18,1.78,;-3.05,.82,;-1.72,.05,;-3.05,2.36,;-1.72,3.13,;-1.72,4.67,;-.38,5.44,;.95,4.67,;.95,3.13,;-.38,2.36,;2.28,2.36,;2.28,.82,;3.62,.05,;4.95,.82,;6.28,.05,;7.62,.82,;7.62,2.36,;8.95,3.13,;6.28,3.13,;4.95,2.36,;3.62,3.13,;-4.01,-2.77,;-4.78,-4.11,;-4.01,-5.44,;-2.47,-5.44,;-1.7,-4.11,;-2.47,-2.77,)|

BDBM635780

COc1ccccc1C1[C@H]([C@H]([C@H]1C(=O)Oc1cccc(c1)-c1ccc2OCCOc2c1)c1ccccc1OC)C(O)=O |r,wU:9.44,10.35,11.13,(.53,-1.39,;-1.01,-1.39,;-1.78,-2.72,;-1.04,-4.11,;-1.81,-5.44,;-3.35,-5.44,;-4.12,-4.11,;-3.35,-2.77,;-4.12,-1.44,;-5.6,-1.04,;-5.21,.45,;-3.72,.05,;-2.38,.82,;-1.05,.05,;-2.38,2.36,;-1.05,3.13,;-1.05,4.67,;.28,5.44,;1.62,4.67,;1.62,3.13,;.28,2.36,;2.95,2.36,;2.95,.82,;4.28,.05,;5.62,.82,;6.95,.05,;8.29,.82,;8.29,2.36,;6.95,3.13,;5.62,2.36,;4.28,3.13,;-5.98,1.78,;-5.21,3.12,;-5.98,4.45,;-7.52,4.45,;-8.29,3.12,;-7.52,1.78,;-8.29,.45,;-9.8,.72,;-6.94,-1.81,;-6.94,-3.35,;-8.27,-1.04,)|

BDBM635781

COc1ccccc1C1[C@@H]([C@@H]([C@@H]1C(=O)OC1Cc2ccccc2C1)c1ccccc1OC)C(O)=O |r,wU:9.36,11.13,10.27,(-5.95,-3.09,;-4.47,-2.7,;-4.47,-1.16,;-5.8,-.39,;-5.8,1.15,;-4.47,1.92,;-3.13,1.15,;-3.13,-.39,;-1.8,-1.16,;-1.4,-2.64,;.09,-2.24,;-.31,-.76,;.46,.58,;-.31,1.91,;2,.58,;2.77,1.91,;4.3,2.07,;4.62,3.58,;5.95,4.35,;5.95,5.89,;4.62,6.66,;3.29,5.89,;3.29,4.35,;2.14,3.32,;1.42,-3.01,;2.75,-2.24,;4.09,-3.01,;4.09,-4.55,;2.75,-5.32,;1.42,-4.55,;.09,-5.32,;.86,-6.66,;-2.17,-3.98,;-3.71,-3.98,;-1.4,-5.31,)|

BDBM635782

OC(=O)[C@H]1[C@@H]([C@H]([C@H]1c1ccccc1)C(=O)Oc1ccc2cc(ccc2c1)-c1cncnc1)c1ccccc1 |r,wU:3.2,5.14,6.7,wD:4.36,(-8.45,1.71,;-7.15,2.54,;-7.22,4.07,;-5.78,1.83,;-4.32,2.29,;-3.85,.82,;-5.32,.36,;-6.03,-1.01,;-7.57,-1.08,;-8.28,-2.44,;-7.45,-3.74,;-5.91,-3.67,;-5.2,-2.31,;-2.48,.11,;-2.42,-1.42,;-1.19,.94,;.18,.23,;1.48,1.06,;2.84,.35,;2.91,-1.19,;4.28,-1.9,;4.35,-3.43,;3.05,-4.26,;1.68,-3.55,;1.62,-2.02,;.25,-1.31,;5.72,-4.14,;5.78,-5.68,;7.15,-6.39,;8.45,-5.56,;8.38,-4.02,;7.01,-3.31,;-3.61,3.66,;-2.07,3.73,;-1.36,5.09,;-2.19,6.39,;-3.73,6.32,;-4.44,4.96,)|

BDBM635783

O=C(Oc1cccc(c1)-c1ccc2NC(=O)CCc2c1)C1[C@H](C[C@@H]1c1ccccc1)c1ccccc1 |r|

BDBM635784

OC(=O)[C@H]1[C@@H]([C@H]([C@@H]1c1ccccc1)C(=O)OC1Cc2ccccc2C1)c1ccccc1 |r|

BDBM635785

OC(=O)[C@H]1[C@@H]([C@H]([C@@H]1c1ccccc1)C(=O)Oc1cccc(c1)-c1ccccc1)c1ccccc1 |r|

BDBM635786

OC(=O)[C@@H]1C([C@@H]([C@H]1c1ccccc1)C(=O)OCc1ccccc1-c1ccccc1)c1ccccc1 |r,wU:3.2,5.14,wD:6.7,(-4.94,-3.35,;-4.94,-1.81,;-6.27,-1.04,;-3.6,-1.04,;-2.12,-1.44,;-1.72,.05,;-3.2,.45,;-3.97,1.78,;-3.2,3.12,;-3.97,4.45,;-5.51,4.45,;-6.28,3.12,;-5.51,1.78,;-.38,.82,;-.38,2.36,;.95,.05,;2.28,.82,;3.62,.05,;3.62,-1.49,;4.95,-2.26,;6.28,-1.49,;6.28,.05,;4.95,.82,;4.95,2.36,;6.28,3.13,;6.28,4.67,;4.95,5.44,;3.62,4.67,;3.62,3.13,;-1.35,-2.77,;-2.12,-4.11,;-1.35,-5.44,;.19,-5.44,;.96,-4.11,;.19,-2.77,)|

BDBM635787

OC(=O)[C@@H]1C([C@@H]([C@H]1c1ccccc1)C(=O)Oc1cccc(c1)-c1ccc2OCCOc2c1)c1ccccc1 |r,wU:3.2,5.14,wD:6.7,(-8.94,.54,;-7.6,1.31,;-7.6,2.85,;-6.27,.54,;-5.87,-.94,;-4.38,-.54,;-4.78,.94,;-4.01,2.28,;-2.47,2.28,;-1.7,3.61,;-2.47,4.94,;-4.01,4.94,;-4.78,3.61,;-3.05,-1.31,;-3.05,-2.85,;-1.72,-.54,;-.38,-1.31,;-.38,-2.85,;.95,-3.62,;2.28,-2.85,;2.28,-1.31,;.95,-.54,;3.62,-.54,;3.62,1,;4.95,1.77,;6.28,1,;7.62,1.77,;8.95,1,;8.95,-.54,;7.62,-1.31,;6.28,-.54,;4.95,-1.31,;-6.64,-2.28,;-8.18,-2.28,;-8.95,-3.61,;-8.18,-4.94,;-6.64,-4.94,;-5.87,-3.61,)|

BDBM635788

COc1ccccc1[C@H]1[C@@H]([C@@H]([C@@H]1C(=O)Oc1cccc(c1)-c1ccc(F)cc1)c1ccccc1OC)C(O)=O |r,wU:9.40,11.13,10.31,wD:8.8,(-8.6,-1.45,;-7.07,-1.32,;-6.67,.17,;-7.76,1.26,;-7.36,2.75,;-5.87,3.15,;-4.78,2.06,;-5.18,.57,;-4.09,-.52,;-4.09,-2.06,;-2.55,-2.06,;-2.55,-.52,;-1.46,.57,;.03,.17,;-1.86,2.06,;-.77,3.15,;-1.17,4.63,;-.08,5.72,;1.41,5.33,;1.81,3.84,;.72,2.75,;3.29,3.44,;3.69,1.95,;5.18,1.55,;6.27,2.64,;7.76,2.24,;5.87,4.13,;4.38,4.53,;-1.46,-3.15,;-1.86,-4.63,;-.77,-5.72,;.72,-5.33,;1.12,-3.84,;.05,-2.61,;.45,-1.12,;1.93,-.72,;-5.18,-3.15,;-4.78,-4.63,;-6.67,-2.75,)|

BDBM635789

OC(=O)[C@H]1[C@@H]([C@H]([C@@H]1c1ccccc1)C(=O)OCc1cccc2ccccc12)c1ccccc1 |r|

BDBM635790

OC(=O)[C@H]1[C@@H]([C@H]([C@@H]1c1ccccc1)C(=O)Oc1cccc2ccccc12)c1ccccc1 |r|

BDBM50468437

Fc1ccc(COC(=O)[C@H]2[C@@H]([C@@H]([C@H]2c2ccccc2)C(=O)OCc2ccc(F)cc2)c2ccccc2)cc1 |r|

BDBM50468455

OC(=O)[C@H]1[C@@H]([C@@H]([C@H]1c1ccccc1)C(O)=O)c1ccccc1 |r|

BDBM50468444

OC(=O)[C@H]1[C@@H]([C@@H]([C@H]1c1ccccc1[N+]([O-])=O)C(=O)Oc1cccc2ccccc12)c1ccccc1[N+]([O-])=O |r,wU:4.32,5.17,wD:3.2,6.7,(41.27,-22,;39.78,-21.6,;39.38,-20.11,;38.69,-22.69,;37.15,-22.69,;37.15,-24.23,;38.69,-24.23,;39.78,-25.32,;41.26,-24.92,;42.35,-26,;41.95,-27.5,;40.46,-27.9,;39.37,-26.81,;37.89,-27.2,;37.48,-25.71,;37.87,-28.74,;36.06,-25.32,;34.57,-24.92,;36.46,-26.81,;35.37,-27.9,;33.88,-27.49,;32.8,-28.58,;33.19,-30.07,;34.69,-30.46,;35.09,-31.93,;36.57,-32.32,;37.65,-31.23,;37.24,-29.76,;35.77,-29.37,;36.06,-21.6,;34.58,-22.01,;33.49,-20.93,;33.89,-19.43,;35.37,-19.03,;36.46,-20.12,;37.95,-19.72,;38.71,-18.38,;38.89,-20.94,)|

BDBM50468448

COc1ccc(COC(=O)[C@H]2[C@@H]([C@@H]([C@H]2c2ccccc2)C(=O)OCc2ccc(OC)cc2)c2ccccc2)cc1 |r|

BDBM50468451

c1ccc(cc1)[C@H]2C([C@@H](C2C(=O)Oc3cccc4c3cccc4)c5ccccc5)C(=O)O

BDBM50468471

OC(=O)[C@H]1[C@H]([C@@H]([C@@H]1c1ccccc1)C(=O)Oc1cccc2ccccc12)c1ccccc1 |r,wU:3.2,4.29,wD:6.7,5.14,(72.23,-4.49,;70.74,-4.09,;70.35,-2.6,;69.65,-5.18,;69.65,-6.72,;68.11,-6.72,;68.11,-5.18,;67.03,-4.09,;67.43,-2.61,;66.34,-1.52,;64.85,-1.92,;64.46,-3.42,;65.55,-4.5,;67.03,-7.81,;67.42,-9.3,;65.54,-7.41,;64.45,-8.5,;62.97,-8.1,;61.88,-9.19,;62.28,-10.68,;63.78,-11.07,;64.18,-12.54,;65.65,-12.93,;66.73,-11.84,;66.33,-10.37,;64.85,-9.98,;70.74,-7.81,;70.34,-9.3,;71.43,-10.39,;72.92,-9.99,;73.31,-8.49,;72.22,-7.41,)|

BDBM50468459

OC(=O)[C@H]1[C@@H]([C@@H]([C@H]1c1ccccc1)C(=O)OCc1ccccc1)c1ccccc1 |r,wU:4.25,5.14,wD:3.2,6.7,(13.01,-19.81,;11.53,-19.41,;11.13,-17.93,;10.44,-20.5,;8.9,-20.5,;8.9,-22.04,;10.44,-22.04,;11.53,-23.13,;11.12,-24.62,;12.21,-25.71,;13.7,-25.31,;14.09,-23.81,;13,-22.73,;7.81,-23.13,;6.32,-22.73,;8.21,-24.62,;7.12,-25.71,;5.63,-25.31,;5.24,-23.82,;3.75,-23.42,;2.66,-24.51,;3.07,-26,;4.55,-26.39,;7.81,-19.41,;8.21,-17.93,;7.12,-16.84,;5.63,-17.24,;5.24,-18.74,;6.33,-19.82,)|

BDBM50468464

OC(=O)[C@H]1[C@@H]([C@@H]([C@H]1c1ccccc1)C(=O)Oc1cc(Cl)c(Cl)cc1Cl)c1ccccc1 |r,wU:4.27,5.14,wD:3.2,6.7,(78.81,-32.17,;77.33,-31.77,;76.93,-30.28,;76.24,-32.86,;74.7,-32.86,;74.7,-34.4,;76.24,-34.4,;77.33,-35.49,;76.92,-36.98,;78.01,-38.07,;79.5,-37.67,;79.89,-36.17,;78.8,-35.09,;73.61,-35.49,;72.12,-35.09,;74.01,-36.98,;72.92,-38.07,;71.43,-37.66,;70.34,-38.75,;68.86,-38.35,;70.74,-40.24,;69.65,-41.33,;72.24,-40.63,;73.32,-39.54,;74.81,-39.94,;73.61,-31.77,;74.01,-30.29,;72.92,-29.2,;71.43,-29.6,;71.04,-31.1,;72.13,-32.18,)|

BDBM50468466

CC(=O)Nc1ccc2c(OC(=O)[C@@H]3[C@H]([C@@H]([C@@H]3c3ccccc3)C(O)=O)c3ccccc3)cccc2c1 |r,wU:15.16,12.11,14.23,wD:13.26,(2.44,-7.68,;3.92,-8.08,;5.01,-6.99,;4.32,-9.57,;5.81,-9.97,;6.89,-8.88,;8.37,-9.29,;8.75,-10.76,;10.24,-11.16,;11.33,-10.07,;10.93,-8.58,;9.44,-8.18,;12.02,-7.49,;13.56,-7.49,;13.56,-5.95,;12.02,-5.95,;10.93,-4.86,;11.33,-3.38,;10.24,-2.29,;8.75,-2.69,;8.36,-4.19,;9.45,-5.27,;14.65,-4.86,;16.13,-5.26,;14.25,-3.37,;14.65,-8.58,;14.24,-10.07,;15.33,-11.16,;16.82,-10.76,;17.22,-9.26,;16.12,-8.18,;10.64,-12.64,;9.54,-13.73,;8.06,-13.32,;7.67,-11.83,;6.2,-11.44,)|

BDBM50468473

OC(=O)[C@H]1[C@@H]([C@@H]([C@H]1c1ccc(O)cc1)C(=O)Oc1cccc2ccccc12)c1ccc(O)cc1 |r,wU:4.30,5.15,wD:3.2,6.7,(52.68,-21.81,;51.19,-21.41,;50.79,-19.93,;50.1,-22.5,;48.56,-22.5,;48.56,-24.04,;50.1,-24.04,;51.19,-25.13,;50.79,-26.62,;51.87,-27.71,;53.36,-27.31,;54.45,-28.4,;53.76,-25.81,;52.67,-24.73,;47.47,-25.13,;45.99,-24.73,;47.87,-26.62,;46.78,-27.71,;45.3,-27.3,;44.21,-28.39,;44.61,-29.88,;46.1,-30.27,;46.5,-31.74,;47.98,-32.14,;49.06,-31.04,;48.66,-29.57,;47.19,-29.19,;47.47,-21.41,;47.87,-19.93,;46.79,-18.85,;45.3,-19.24,;44.21,-18.16,;44.9,-20.74,;45.99,-21.82,)|

BDBM50468457

OC(=O)[C@H]1[C@@H]([C@@H]([C@H]1c1ccccc1Cl)C(=O)O[C@@H]1CCCC[C@H]1c1ccccc1)c1ccccc1Cl |r,wU:4.32,5.15,17.18,wD:3.2,6.7,22.25,(80.25,-22.31,;78.76,-21.91,;78.37,-20.42,;77.68,-23,;76.14,-23,;76.14,-24.54,;77.68,-24.54,;78.76,-25.63,;78.36,-27.12,;79.45,-28.2,;80.94,-27.81,;81.33,-26.31,;80.24,-25.23,;80.64,-23.74,;75.05,-25.63,;73.56,-25.23,;75.45,-27.12,;74.36,-28.2,;72.87,-27.8,;71.78,-28.89,;72.18,-30.38,;73.68,-30.76,;74.76,-29.68,;76.25,-30.08,;76.64,-31.56,;78.13,-31.95,;79.22,-30.86,;78.81,-29.37,;77.32,-28.98,;75.05,-21.91,;75.45,-20.43,;74.36,-19.34,;72.87,-19.74,;72.48,-21.24,;73.57,-22.32,;73.18,-23.81,)|

BDBM50468434

OC(=O)[C@H]1[C@@H]([C@@H]([C@H]1c1c(Cl)cccc1Cl)C(=O)O[C@@H]1CCCC[C@H]1c1ccccc1)c1c(Cl)cccc1Cl |r,wU:4.33,5.16,18.19,wD:3.2,6.7,23.26,(12.32,-38.97,;10.83,-38.57,;10.44,-37.08,;9.75,-39.66,;8.21,-39.66,;8.21,-41.2,;9.75,-41.2,;10.83,-42.29,;12.31,-41.89,;12.71,-40.4,;13.4,-42.97,;13.01,-44.47,;11.52,-44.86,;10.43,-43.78,;8.94,-44.17,;7.12,-42.29,;5.63,-41.89,;7.52,-43.78,;6.43,-44.86,;4.94,-44.46,;3.85,-45.55,;4.25,-47.04,;5.75,-47.42,;6.83,-46.34,;8.32,-46.74,;8.71,-48.22,;10.2,-48.61,;11.29,-47.52,;10.88,-46.03,;9.39,-45.64,;7.12,-38.57,;5.64,-38.98,;5.25,-40.47,;4.55,-37.9,;4.94,-36.4,;6.43,-36,;7.52,-37.09,;9.01,-36.69,)|

BDBM50468445

OC(=O)[C@H]1[C@@H]([C@@H]([C@H]1c1ccccc1Br)C(=O)O[C@@H]1CCCC[C@H]1c1ccccc1)c1ccccc1Br |r,wU:4.32,5.15,17.18,wD:3.2,6.7,22.25,(24.5,-39.96,;23.01,-39.57,;22.62,-38.08,;21.93,-40.65,;20.39,-40.65,;20.39,-42.19,;21.93,-42.19,;23.01,-43.28,;22.61,-44.77,;23.7,-45.86,;25.19,-45.46,;25.58,-43.97,;24.49,-42.88,;24.89,-41.39,;19.3,-43.28,;17.81,-42.88,;19.7,-44.77,;18.61,-45.86,;17.12,-45.45,;16.03,-46.54,;16.43,-48.03,;17.93,-48.42,;19.01,-47.34,;20.5,-47.73,;20.89,-49.22,;22.38,-49.61,;23.47,-48.52,;23.06,-47.02,;21.57,-46.64,;19.3,-39.57,;19.7,-38.08,;18.61,-37,;17.12,-37.39,;16.73,-38.89,;17.82,-39.97,;17.43,-41.46,)|

BDBM50468447

COc1ccccc1[C@H]1[C@@H]([C@@H]([C@H]1C(=O)Oc1cccc2ncccc12)c1ccccc1OC)C(O)=O |r,wU:8.8,11.13,wD:9.37,10.28,(66.27,-40.95,;67.76,-40.54,;68.15,-39.05,;67.06,-37.97,;67.46,-36.47,;68.95,-36.07,;70.03,-37.16,;69.63,-38.64,;70.72,-39.73,;72.26,-39.73,;72.26,-41.27,;70.72,-41.27,;69.63,-42.36,;68.14,-41.96,;70.03,-43.85,;68.94,-44.94,;67.45,-44.53,;66.37,-45.62,;66.76,-47.11,;68.26,-47.5,;68.66,-48.97,;70.14,-49.36,;71.22,-48.27,;70.81,-46.8,;69.34,-46.41,;73.35,-42.36,;72.94,-43.85,;74.03,-44.94,;75.52,-44.54,;75.92,-43.04,;74.83,-41.96,;75.22,-40.47,;76.71,-40.07,;73.35,-38.64,;74.84,-39.04,;72.95,-37.15,)|

BDBM50468440

O=C(OCc1ccccc1)[C@H]1[C@@H]([C@@H]([C@H]1c1ccccc1)C(=O)OCc1ccccc1)c1ccccc1 |r|

BDBM50468450

OC(=O)[C@H]1[C@@H]([C@H]([C@H]1c1ccccc1)C(=O)Nc1nc(cs1)-c1ccc2CCCCc2c1)c1ccccc1 |r,wU:6.7,5.14,3.2,wD:4.35,(51.68,-19.47,;50.19,-19.07,;49.79,-17.58,;49.1,-20.16,;49.1,-21.7,;47.56,-21.7,;47.56,-20.16,;46.47,-19.07,;46.87,-17.59,;45.79,-16.5,;44.3,-16.9,;43.9,-18.4,;44.99,-19.48,;46.47,-22.79,;44.98,-22.39,;46.87,-24.28,;45.78,-25.37,;44.26,-25.13,;43.56,-26.5,;44.65,-27.59,;46.02,-26.89,;42.04,-26.74,;41.5,-28.17,;39.98,-28.41,;39,-27.22,;37.49,-27.46,;36.52,-26.26,;37.07,-24.82,;38.6,-24.59,;39.56,-25.78,;41.08,-25.54,;50.19,-22.79,;49.79,-24.28,;50.87,-25.37,;52.36,-24.97,;52.76,-23.47,;51.67,-22.39,)|

BDBM50468435

OC(=O)[C@H]1[C@@H]([C@@H]([C@H]1c1ccccc1)C(=O)Nc1cccc(c1)-c1ccccc1)c1ccccc1 |r,wU:4.31,5.14,wD:3.2,6.7,(64.22,-17.42,;62.73,-17.02,;62.34,-15.53,;61.65,-18.11,;60.11,-18.11,;60.11,-19.65,;61.65,-19.65,;62.73,-20.74,;62.33,-22.22,;63.42,-23.31,;64.91,-22.91,;65.3,-21.42,;64.21,-20.34,;59.02,-20.74,;57.53,-20.34,;59.42,-22.22,;58.33,-23.31,;56.84,-22.91,;55.75,-23.99,;56.15,-25.48,;57.65,-25.88,;58.73,-24.79,;58.05,-27.37,;56.96,-28.45,;57.37,-29.94,;58.86,-30.33,;59.94,-29.23,;59.54,-27.75,;59.02,-17.02,;59.42,-15.54,;58.33,-14.45,;56.84,-14.85,;56.45,-16.34,;57.54,-17.42,)|

BDBM50468460

COc1ccc(cc1OC)[C@H]1[C@@H]([C@@H]([C@H]1C(O)=O)c1ccc(OC)c(OC)c1)C(O)=O |r|

BDBM50468469

OC(=O)[C@H]1[C@@H]([C@@H]([C@H]1c1ccccc1[N+]([O-])=O)C(=O)O[C@@H]1CCCC[C@H]1c1ccccc1)c1ccccc1[N+]([O-])=O |r,wU:4.34,5.17,19.20,wD:3.2,6.7,24.27,(37.76,-39.62,;36.28,-39.22,;35.88,-37.74,;35.19,-40.31,;33.65,-40.31,;33.65,-41.85,;35.19,-41.85,;36.28,-42.94,;37.75,-42.54,;38.84,-43.62,;38.45,-45.12,;36.96,-45.52,;35.87,-44.43,;34.38,-44.82,;33.97,-43.33,;34.37,-46.36,;32.56,-42.94,;31.07,-42.54,;32.96,-44.43,;31.87,-45.52,;30.38,-45.11,;29.29,-46.2,;29.69,-47.69,;31.19,-48.08,;32.27,-46.99,;33.75,-47.38,;33.75,-48.93,;35.08,-49.7,;36.42,-48.93,;36.42,-47.37,;35.08,-46.61,;32.56,-39.22,;31.08,-39.63,;29.99,-38.55,;30.38,-37.05,;31.87,-36.65,;32.96,-37.74,;34.45,-37.35,;35.21,-36,;35.39,-38.57,)|

BDBM50468449

OC(=O)[C@H]1[C@@H]([C@@H]([C@H]1c1ccccc1)C(=O)Nc1nc(cs1)-c1ccc2CCCCc2c1)c1ccccc1 |r,wU:4.35,5.14,wD:3.2,6.7,(33,-19.47,;31.52,-19.07,;31.12,-17.58,;30.43,-20.16,;28.89,-20.16,;28.89,-21.7,;30.43,-21.7,;31.52,-22.79,;31.11,-24.28,;32.2,-25.37,;33.69,-24.97,;34.08,-23.47,;32.99,-22.39,;27.8,-22.79,;26.31,-22.39,;28.2,-24.28,;27.11,-25.37,;25.59,-25.13,;24.89,-26.5,;25.98,-27.59,;27.35,-26.89,;23.37,-26.74,;22.82,-28.17,;21.31,-28.41,;20.33,-27.22,;18.81,-27.46,;17.85,-26.26,;18.4,-24.82,;19.92,-24.59,;20.88,-25.78,;22.4,-25.54,;27.8,-19.07,;28.2,-17.59,;27.11,-16.5,;25.62,-16.9,;25.23,-18.4,;26.32,-19.48,)|

BDBM50468476

OC(=O)[C@H]1[C@@H]([C@@H]([C@H]1c1ccccc1)C(=O)OCC(F)(F)F)c1ccccc1 |r,wU:4.22,5.14,wD:3.2,6.7,(66.18,-48.02,;64.69,-47.62,;64.3,-46.14,;63.61,-48.71,;62.07,-48.71,;62.07,-50.25,;63.61,-50.25,;64.69,-51.34,;64.29,-52.83,;65.38,-53.92,;66.87,-53.52,;67.26,-52.02,;66.17,-50.94,;60.98,-51.34,;59.49,-50.94,;61.38,-52.83,;60.29,-53.92,;58.8,-53.52,;57.71,-54.61,;58.4,-52.03,;57.3,-53.11,;60.98,-47.62,;61.38,-46.14,;60.29,-45.05,;58.8,-45.45,;58.41,-46.95,;59.5,-48.03,)|

BDBM50468453

COc1cc(ccc1O)[C@H]1[C@@H]([C@@H]([C@H]1C(O)=O)c1ccc(O)c(OC)c1)C(O)=O |r|

BDBM50468461

OC(=O)[C@H]1[C@@H]([C@@H]([C@H]1c1ccccc1)C(=O)Oc1cccc(c1)C#C)c1ccccc1 |r,wU:4.26,5.14,wD:3.2,6.7,(88.13,-19.87,;86.64,-19.48,;86.24,-17.99,;85.55,-20.56,;84.01,-20.56,;84.01,-22.1,;85.55,-22.1,;86.64,-23.19,;86.24,-24.68,;87.33,-25.77,;88.82,-25.37,;89.21,-23.87,;88.12,-22.79,;82.93,-23.19,;81.44,-22.79,;83.32,-24.68,;82.24,-25.77,;80.75,-25.36,;79.66,-26.45,;80.06,-27.94,;81.56,-28.34,;82.64,-27.25,;81.96,-29.82,;82.36,-31.31,;82.93,-19.48,;83.33,-17.99,;82.24,-16.91,;80.75,-17.3,;80.36,-18.8,;81.45,-19.88,)|

BDBM50468477

COc1ccccc1[C@H]1[C@@H]([C@@H]([C@H]1C(=O)O[C@@H]1CCCC[C@H]1c1ccccc1)c1ccccc1OC)C(O)=O |r,wU:8.8,11.13,15.16,wD:9.39,10.30,20.23,(56.66,-23.87,;58.15,-23.46,;58.54,-21.98,;57.45,-20.89,;57.85,-19.4,;59.34,-19,;60.42,-20.09,;60.02,-21.57,;61.11,-22.66,;62.65,-22.66,;62.65,-24.2,;61.11,-24.2,;60.02,-25.29,;58.53,-24.89,;60.42,-26.77,;59.33,-27.86,;57.84,-27.46,;56.76,-28.54,;57.15,-30.03,;58.65,-30.42,;59.73,-29.34,;61.22,-29.73,;61.62,-31.22,;63.1,-31.61,;64.19,-30.52,;63.78,-29.03,;62.29,-28.64,;63.74,-25.29,;63.33,-26.77,;64.42,-27.86,;65.91,-27.46,;66.31,-25.97,;65.22,-24.89,;65.61,-23.4,;67.1,-22.99,;63.74,-21.57,;65.23,-21.97,;63.34,-20.08,)|

BDBM50468470

O=C(OCC1CCOCC1)[C@H]1[C@@H]([C@@H]([C@H]1c1ccccc1)C(=O)OCC1CCOCC1)c1ccccc1 |r|

BDBM50468454

OC(=O)[C@H]1[C@@H]([C@@H]([C@H]1c1ccccc1)C(=O)O[C@H]1CCCC[C@@H]1c1ccccc1)c1ccccc1 |r,wU:4.31,5.14,21.24,wD:3.2,6.7,16.17,(39.12,-49.63,;37.64,-49.23,;37.24,-47.75,;36.55,-50.32,;35.01,-50.32,;35.01,-51.86,;36.55,-51.86,;37.64,-52.95,;37.23,-54.44,;38.32,-55.53,;39.81,-55.13,;40.2,-53.63,;39.11,-52.55,;33.92,-52.95,;32.43,-52.55,;34.32,-54.44,;33.23,-55.53,;31.74,-55.13,;30.65,-56.21,;31.04,-57.7,;32.53,-58.11,;33.63,-57.02,;35.12,-57.42,;35.51,-58.91,;36.99,-59.31,;38.08,-58.22,;37.68,-56.73,;36.2,-56.33,;33.92,-49.23,;34.32,-47.75,;33.23,-46.66,;31.74,-47.06,;31.35,-48.56,;32.44,-49.64,)|

BDBM50468441

OC(=O)[C@H]1[C@@H]([C@@H]([C@H]1c1ccccc1)C(=O)OC1CCCCC1)c1ccccc1 |r,wU:4.24,5.14,wD:3.2,6.7,(55.04,-5.59,;53.55,-5.2,;53.15,-3.71,;52.46,-6.28,;50.92,-6.28,;50.92,-7.82,;52.46,-7.82,;53.55,-8.91,;53.15,-10.4,;54.23,-11.49,;55.72,-11.09,;56.12,-9.6,;55.03,-8.51,;49.83,-8.91,;48.34,-8.51,;50.23,-10.4,;49.14,-11.49,;49.55,-12.97,;48.45,-14.06,;46.96,-13.66,;46.57,-12.17,;47.66,-11.09,;49.83,-5.2,;50.23,-3.71,;49.15,-2.63,;47.66,-3.02,;47.26,-4.52,;48.35,-5.6,)|

BDBM50525619

OC(=O)c1cc(NS(=O)(=O)c2ccc(OC3CCCCCC3)c3ccccc23)ccc1F

BDBM50525620

COc1c(cc(c2ccccc12)S(=O)(=O)Nc1ccc(F)c(c1)C(O)=O)-c1ccc(F)c(F)c1

BDBM50525633

CCCCCCOc1ccc(c2ccccc12)S(=O)(=O)Nc1ccc(F)c(c1)C(O)=O

BDBM50525623

CCCCCCCOc1ccc(c2ccccc12)S(=O)(=O)Nc1ccc(F)c(c1)C(O)=O

BDBM50525624

CCCCCCCCOc1ccc(c2ccccc12)S(=O)(=O)Nc1ccc(F)c(c1)C(O)=O

BDBM50525634

OC(=O)c1cc(NS(=O)(=O)c2ccc(OC3CCCCC3)c3ccccc23)ccc1F

BDBM50525635

OC(=O)c1cc(NS(=O)(=O)c2ccc(OCC3CCCCC3)c3ccccc23)ccc1F

BDBM50525626

OC(=O)c1cc(NS(=O)(=O)c2ccc(OCC34CC5CC(CC(C5)C3)C4)c3ccccc23)ccc1F |THB:15:16:19:23.21.22,21:20:17:23.22.24,21:22:19.20.25:17,24:22:19:25.16.17,24:16:19:23.21.22|

BDBM50525636

COc1c(cc(c2ccccc12)S(=O)(=O)Nc1ccc(F)c(c1)C(O)=O)-c1ccccc1

BDBM50525628

COc1c(cc(c2ccccc12)S(=O)(=O)Nc1ccc(F)c(c1)C(O)=O)-c1ccncc1

BDBM50525630

COc1c(cc(c2ccccc12)S(=O)(=O)Nc1ccc(F)c(c1)C(O)=O)-c1ccc(F)cc1

BDBM50525637

COc1c(cc(c2ccccc12)S(=O)(=O)Nc1ccc(F)c(c1)C(O)=O)-c1ccc(Cl)c(Cl)c1

BDBM50525638

COc1c(cc(c2ccccc12)S(=O)(=O)Nc1ccc(F)c(c1)C(O)=O)-c1cccc(N)c1

BDBM50525632

COc1c(cc(c2ccccc12)S(=O)(=O)Nc1ccc(F)c(c1)C(O)=O)-c1ccc(O)cc1

BDBM50525622

CCCCCOc1ccc(c2ccccc12)S(=O)(=O)Nc1ccc(F)c(c1)C(O)=O

BDBM50525625

CCCCCCCCCCCCOc1ccc(c2ccccc12)S(=O)(=O)Nc1ccc(F)c(c1)C(O)=O

BDBM50525639

OC(=O)c1cc(NS(=O)(=O)c2ccc(OCCC3CCCCC3)c3ccccc23)ccc1F

BDBM50525629

COc1c(cc(c2ccccc12)S(=O)(=O)Nc1ccc(F)c(c1)C(O)=O)-c1ccoc1

BDBM50525618

COc1c(cc(c2ccccc12)S(=O)(=O)Nc1ccc(F)c(c1)C(O)=O)-c1cccc(O)c1

BDBM50525616

CCCCCCCCCCOc1ccc(c2ccccc12)S(=O)(=O)Nc1ccc(F)c(c1)C(O)=O

BDBM50525617

Cc1c(Cl)cccc1OCc1cc(=O)n2nc(nc2[nH]1)-c1ccccc1

BDBM50525640

OC(=O)c1cc(NS(=O)(=O)c2ccc(OCCCC3CCCCC3)c3ccccc23)ccc1F

BDBM50525631

COc1c(cc(c2ccccc12)S(=O)(=O)Nc1ccc(F)c(c1)C(O)=O)-c1ccc(F)c(Cl)c1

BDBM50479142

CC(C)CNC(=O)\C=C\C=C\CCCCCC\C=C\c1ccc2OCOc2c1

BDBM35919

OC(=O)c1ccccc1Nc1ccccc1-c1ccccc1

BDBM50538229

OC(=O)c1ccccc1Nc1cccc(Cl)c1-c1ccccc1

BDBM50538230

COc1cccc(Nc2ccccc2C(O)=O)c1-c1ccccc1

BDBM50212873

CCc1c(c(nn1-c1ccccc1-c1cccc(OCC(O)=O)c1)-c1ccccc1)-c1ccccc1

BDBM50538231

CNc1ccc(Nc2ccccc2C(O)=O)c(c1Cl)-c1ccccc1

BDBM50538232

OC(=O)c1ccccc1Nc1cccc(Cl)c1-c1ccc2[nH]ncc2c1

BDBM50538233

OC(=O)c1ccccc1Nc1cccc(Cl)c1-c1ccc2nonc2c1

BDBM50538234

OC(=O)c1ccccc1Nc1cccc(Cl)c1-c1ccc2OCOc2c1

BDBM50538235

OC(=O)c1ccccc1Nc1cccc(Cl)c1-c1ccc2OCCc2c1

BDBM50538236

OC(=O)c1ccccc1Nc1cccc(Cl)c1-c1ccc2occc2c1

BDBM50538228

OC(=O)c1ccccc1Nc1cccc(Cl)c1-c1ccc2ccccc2c1

BDBM50538237

CNc1ccc(Nc2ccccc2C(O)=O)c(c1Cl)-c1ccc2OCCc2c1

BDBM50574773

OC(=O)c1cc(NS(=O)(=O)c2ccc(-c3ccccc3)c3ccccc23)ccc1F

BDBM50574776

OC(=O)c1cc(NS(=O)(=O)c2ccc(-c3ccccc3OC(F)(F)F)c3ccccc23)ccc1F

BDBM50574777

CC(C)c1ccccc1-c1ccc(c2ccccc12)S(=O)(=O)Nc1ccc(F)c(c1)C(O)=O

BDBM50574778

OC(=O)c1cc(NS(=O)(=O)c2ccc(-c3ccc(F)cc3Cl)c3ccccc23)ccc1F

BDBM50574779

OC(=O)c1cc(NS(=O)(=O)c2ccc(-c3ccc(F)cc3F)c3ccccc23)ccc1F

BDBM50574780

Cc1cc(F)ccc1-c1ccc(c2ccccc12)S(=O)(=O)Nc1ccc(F)c(c1)C(O)=O

BDBM50574781

OC(=O)c1cc(NS(=O)(=O)c2ccc(-c3ccc(F)c(Cl)c3)c3ccccc23)ccc1F

BDBM50574782

Cc1c(Cl)cccc1OCc1[nH]c2nc(nn2c(=O)c1C)-c1ccccc1

BDBM50574783

COc1c(cc(c2ccccc12)S(=O)(=O)Nc1ccc(F)c(CC(O)=O)c1)-c1ccc(F)cc1C

BDBM50574784

COc1c(cc(c2ccccc12)S(=O)(=O)Nc1ccc(F)c(CC(O)=O)c1)-c1ccc(F)cc1

BDBM50574785

COc1c(cc(c2ccccc12)S(=O)(=O)Nc1ccc(F)c(CC(O)=O)c1)-c1ccccc1F

BDBM50574786

COc1c(cc(c2ccccc12)S(=O)(=O)Nc1ccc(F)c(CC(O)=O)c1)-c1ccccc1Cl

BDBM50574795

COc1c(cc(c2ccccc12)S(=O)(=O)Nc1ccc(F)c(CC(O)=O)c1)-c1ccccc1C(F)(F)F

BDBM50574787

COc1c(cc(c2ccccc12)S(=O)(=O)Nc1ccc(F)c(CC(O)=O)c1)-c1ccccc1C

BDBM50574788

CCc1ccccc1-c1cc(c2ccccc2c1OC)S(=O)(=O)Nc1ccc(F)c(CC(O)=O)c1

BDBM50574796

COc1c(cc(c2ccccc12)S(=O)(=O)Nc1ccc(F)c(CC(O)=O)c1)-c1ccccc1C(C)C

BDBM50574790

COc1c(cc(c2ccccc12)S(=O)(=O)Nc1ccc(F)c(CC(O)=O)c1)-c1ccc(F)cc1F

BDBM50574791

COc1c(cc(c2ccccc12)S(=O)(=O)Nc1ccc(F)c(CC(O)=O)c1)-c1ccc(F)cc1Cl

BDBM50574792

COc1c(cc(c2ccccc12)S(=O)(=O)Nc1ccc(F)c(CC(O)=O)c1)-c1ccc(F)c(Cl)c1

BDBM50574793

COc1c(cc(c2ccccc12)S(=O)(=O)Nc1ccc(F)c(CC(O)=O)c1)-c1cccc(Cl)c1F

BDBM50574797

COc1c(cc(c2ccccc12)S(=O)(=O)Nc1ccc(F)c(CC(O)=O)c1)-c1cc(Cl)ccc1Cl

BDBM50574794

COc1c(cc(c2ccccc12)S(=O)(=O)Nc1ccc(F)c(c1)C(O)=O)-c1ccc(F)cc1C

BDBM50468360

CCc1c(c(nn1-c1ccccc1-c1ccccc1OCC(O)=O)-c1ccccc1)-c1ccccc1

BDBM50152853

OC(=O)c1ccccc1S(=O)(=O)n1c2ccccc2c2ccccc12

BDBM50152856

OC(=O)CCn1c2ccccc2c2ccccc12

BDBM50152857

OC(=O)c1sccc1S(=O)(=O)n1c2ccccc2c2ccccc12

BDBM50152858

OC(=O)CCCCn1c2ccccc2c2ccccc12

BDBM50152852

OC(=O)c1sccc1S(=O)(=O)n1ccc2cc(Br)ccc12

BDBM50152851

c1ccc2c(c1)c3ccccc3n2CCCC(=O)O

BDBM50590447

OC(=O)c1cccc(NS(=O)(=O)c2ccc(Br)c3ccccc23)c1

BDBM50192463

OC(=O)Cc1cccc(OCc2ccccc2Cl)c1OCc1ccccc1Cl

BDBM50192465

COC(C(O)=O)c1cccc(OCc2ccccc2Cl)c1OCc1ccccc1Cl

BDBM50192462

O[C@H](C(O)=O)c1cccc(OCc2ccccc2Cl)c1OCc1ccccc1Cl

BDBM50192464

OCC(O)c1cccc(OCc2ccccc2Cl)c1OCc1ccccc1Cl

BDBM50197091

Cc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(O)=O

BDBM50613583

CCc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(O)=O

BDBM50197092

CC(C)c1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(O)=O

BDBM50197094

OC(=O)c1c(nc2ccc(Cl)cc2c1-c1ccccc1)N1CCCCC1

BDBM50615291

Cc1cc(ccn1)-c1c2CCCCCc2nc(c1-c1nnn[nH]1)C1(CO)CCCC1

BDBM50615292

CCCCC[C@H]1CCc2c(c(c(c(n2)C3(CCCC3)COC)c4[nH]nnn4)c5ccccc5)C1

BDBM50615293

C1CCC(CC1)c1nc2CCCCCc2c(-c2ccncc2)c1-c1nnn[nH]1

BDBM50615294

Cc1cc(ccn1)-c1c2CC(CCc2nc(C2CCCCC2)c1-c1nnn[nH]1)C(F)(F)F

BDBM50615295

CC1CCc2nc(C3CCCC3)c(-c3nnn[nH]3)c(-c3ccnc(C)c3)c2C1

BDBM50615296

Cc1cc(ccn1)-c1c2CCCCCc2nc(c1-c1nnn[nH]1)C1(C)CCCC1

BDBM50615281

OC(=O)c1c(nc2ccc(Cl)cc2c1-c1ccccc1)C1CC1

BDBM50615282

CCN(C)c1nc2c(Cl)cc(Cl)cc2c(-c2ccccc2)c1C(O)=O

BDBM50615283

CCN(C)c1nc2ccc(Cl)cc2c(-c2ccccc2)c1-c1nnn[nH]1

BDBM50197090

Clc1ccc2nc(N3CCCCC3)c(-c3n[nH]c(=S)o3)c(-c3ccccc3)c2c1

BDBM50615284

FC(F)(F)c1ccc2nc(N3CCCCC3)c(-c3nnn[nH]3)c(-c3ccccc3)c2c1

BDBM50615285

CCN(CC)c1nc2ccc(cc2c(-c2ccccc2)c1-c1nnn[nH]1)C(F)(F)F

BDBM50615286

CCC(CC)c1nc2cc(F)c(Cl)cc2c(-c2ccccc2)c1-c1nnn[nH]1

BDBM50615287

Fc1cc2nc(N3CCCCC3)c(-c3nnn[nH]3)c(-c3ccccc3)c2cc1Cl

BDBM50615288

CCN(CC)c1nc2cc(F)c(Cl)cc2c(-c2ccccc2)c1-c1nnn[nH]1

BDBM50628969

OC(=O)[C@H]1[C@@H]([C@@H]([C@H]1c1ccccc1)C(=O)Oc1cc(ccc1C#N)-c1ccccc1)c1ccccc1 |r,wU:4.33,5.14,wD:6.7,3.2,(-6.88,-1.8,;-5.39,-2.2,;-4.99,-3.69,;-4.3,-1.11,;-2.74,-1.11,;-2.74,.43,;-4.3,.43,;-5.39,1.52,;-6.88,1.12,;-7.96,2.2,;-7.56,3.69,;-6.09,4.09,;-4.99,3.01,;-1.65,1.52,;-2.05,3,;-.16,1.12,;.93,2.21,;2.42,1.81,;3.51,2.9,;3.11,4.38,;1.62,4.78,;.53,3.69,;-.96,4.09,;-2.44,4.49,;4.99,2.5,;6.08,3.59,;7.56,3.19,;7.96,1.7,;6.88,.62,;5.39,1.01,;-1.65,-2.2,;-.16,-1.8,;.93,-2.89,;.53,-4.38,;-.95,-4.78,;-2.05,-3.7,)|

BDBM50628970

OC(=O)[C@H]1[C@@H]([C@@H]([C@H]1c1ccccc1)C(=O)Nc1cc(ccc1C#N)-c1ccccc1)c1ccccc1 |r,wU:4.33,5.14,wD:6.7,3.2,(-6.88,-1.8,;-5.39,-2.2,;-4.99,-3.69,;-4.3,-1.11,;-2.74,-1.11,;-2.74,.43,;-4.3,.43,;-5.39,1.52,;-6.88,1.12,;-7.96,2.2,;-7.56,3.69,;-6.09,4.09,;-4.99,3.01,;-1.65,1.52,;-2.05,3,;-.16,1.12,;.93,2.21,;2.42,1.81,;3.51,2.9,;3.11,4.38,;1.62,4.78,;.53,3.69,;-.96,4.09,;-2.44,4.49,;4.99,2.5,;6.08,3.59,;7.56,3.19,;7.96,1.7,;6.88,.62,;5.39,1.01,;-1.65,-2.2,;-.16,-1.8,;.93,-2.89,;.53,-4.38,;-.95,-4.78,;-2.05,-3.7,)|

BDBM50628971

OC(=O)[C@H]1[C@H]([C@H]([C@@H]1c1ccccc1)C(=O)Nc1cc(ccc1C#N)-c1ccccc1)c1ccccc1 |r,wU:4.33,3.2,5.14,wD:6.7,(-6.88,-1.8,;-5.39,-2.2,;-4.99,-3.69,;-4.3,-1.11,;-4.3,.43,;-2.74,.43,;-2.74,-1.11,;-1.65,-2.2,;-.16,-1.8,;.93,-2.89,;.53,-4.38,;-.95,-4.78,;-2.05,-3.7,;-1.65,1.52,;-2.05,3,;-.16,1.12,;.93,2.21,;2.42,1.81,;3.51,2.9,;3.11,4.38,;1.62,4.78,;.53,3.69,;-.96,4.09,;-2.44,4.49,;4.99,2.5,;6.08,3.59,;7.56,3.19,;7.96,1.7,;6.88,.62,;5.39,1.01,;-5.39,1.52,;-6.88,1.12,;-7.96,2.2,;-7.56,3.69,;-6.09,4.09,;-4.99,3.01,)|

BDBM50628972

COc1ccccc1[C@H]1[C@@H]([C@@H]([C@H]1C(=O)Oc1cc(ccc1C#N)-c1ccccc1)c1ccccc1OC)C(O)=O |r,wU:8.8,11.13,wD:10.32,9.41,(-3.93,-5.18,;-3.54,-3.69,;-2.05,-3.29,;-.95,-4.38,;.53,-3.98,;.93,-2.49,;-.16,-1.4,;-1.65,-1.8,;-2.74,-.71,;-4.3,-.71,;-4.3,.83,;-2.74,.83,;-1.65,1.92,;-2.05,3.41,;-.16,1.52,;.93,2.61,;2.42,2.21,;3.51,3.3,;3.11,4.78,;1.62,5.18,;.53,4.1,;-.96,4.49,;-2.44,4.89,;4.99,2.9,;6.08,3.99,;7.56,3.59,;7.96,2.11,;6.88,1.02,;5.39,1.41,;-5.39,1.92,;-4.99,3.41,;-6.09,4.49,;-7.56,4.09,;-7.96,2.61,;-6.88,1.52,;-7.28,.03,;-8.79,-.37,;-5.39,-1.8,;-6.88,-1.4,;-4.99,-3.29,)|

BDBM50628973

OC(=O)[C@H]1[C@@H]([C@@H]([C@H]1c1ccccc1)C(=O)Oc1cccc(c1)-c1ccc2OCOc2c1)c1ccccc1 |r,wU:4.35,5.14,wD:6.7,3.2,(-7.56,-1.8,;-6.07,-2.2,;-5.68,-3.69,;-4.99,-1.11,;-3.42,-1.11,;-3.42,.43,;-4.99,.43,;-6.07,1.52,;-7.56,1.12,;-8.65,2.2,;-8.25,3.69,;-6.77,4.09,;-5.67,3.01,;-2.33,1.52,;-2.73,3,;-.84,1.12,;.25,2.21,;-.15,3.69,;.93,4.78,;2.42,4.38,;2.82,2.9,;1.74,1.81,;4.31,2.5,;5.4,3.59,;6.88,3.19,;7.28,1.7,;8.65,1.01,;8.41,-.5,;6.9,-.75,;6.2,.62,;4.71,1.01,;-2.33,-2.2,;-.84,-1.8,;.24,-2.89,;-.16,-4.38,;-1.64,-4.78,;-2.73,-3.7,)|

BDBM50628974

OC(=O)[C@H]1[C@@H]([C@@H]([C@H]1c1ccccc1)C(=O)Nc1cccc(c1)-c1ccc2OCOc2c1)c1ccccc1 |r,wU:4.35,5.14,wD:6.7,3.2,(-7.56,-1.8,;-6.07,-2.2,;-5.68,-3.69,;-4.99,-1.11,;-3.42,-1.11,;-3.42,.43,;-4.99,.43,;-6.07,1.52,;-7.56,1.12,;-8.65,2.2,;-8.25,3.69,;-6.77,4.09,;-5.67,3.01,;-2.33,1.52,;-2.73,3,;-.84,1.12,;.25,2.21,;-.15,3.69,;.93,4.78,;2.42,4.38,;2.82,2.9,;1.74,1.81,;4.31,2.5,;5.4,3.59,;6.88,3.19,;7.28,1.7,;8.65,1.01,;8.41,-.5,;6.9,-.75,;6.2,.62,;4.71,1.01,;-2.33,-2.2,;-.84,-1.8,;.24,-2.89,;-.16,-4.38,;-1.64,-4.78,;-2.73,-3.7,)|

BDBM50628975

COc1ccccc1[C@H]1[C@@H]([C@@H]([C@H]1C(=O)Oc1cccc(c1)-c1ccc2OCOc2c1)c1ccccc1OC)C(O)=O |r,wU:8.8,11.13,wD:10.34,9.43,(-4.62,-5.24,;-4.22,-3.75,;-2.73,-3.35,;-1.64,-4.43,;-.16,-4.04,;.24,-2.55,;-.84,-1.46,;-2.33,-1.86,;-3.42,-.77,;-4.99,-.77,;-4.99,.77,;-3.42,.77,;-2.33,1.86,;-2.73,3.35,;-.84,1.46,;.25,2.55,;-.15,4.04,;.93,5.12,;2.42,4.72,;2.82,3.24,;1.74,2.15,;4.31,2.84,;5.4,3.93,;6.88,3.53,;7.28,2.05,;8.65,1.35,;8.41,-.16,;6.9,-.4,;6.2,.96,;4.71,1.35,;-6.07,1.86,;-7.56,1.46,;-8.65,2.55,;-8.25,4.04,;-6.77,4.43,;-5.67,3.35,;-4.19,3.75,;-3.79,5.24,;-6.07,-1.86,;-7.56,-1.46,;-5.68,-3.35,)|

BDBM50628976

COc1ccccc1[C@H]1[C@@H]([C@@H]([C@@H]1C(=O)Nc1cccc(c1)-c1ccc2OCOc2c1)c1ccccc1OC)C(O)=O |r,wU:9.43,10.34,11.13,wD:8.8,(-3.79,5.24,;-4.19,3.75,;-5.67,3.35,;-6.77,4.43,;-8.25,4.04,;-8.65,2.55,;-7.56,1.46,;-6.07,1.86,;-4.99,.77,;-4.99,-.77,;-3.42,-.77,;-3.42,.77,;-2.33,1.86,;-2.73,3.35,;-.84,1.46,;.25,2.55,;-.15,4.04,;.93,5.12,;2.42,4.72,;2.82,3.24,;1.74,2.15,;4.31,2.84,;5.4,3.93,;6.88,3.53,;7.28,2.05,;8.65,1.35,;8.41,-.16,;6.9,-.4,;6.2,.96,;4.71,1.35,;-2.33,-1.86,;-.84,-1.46,;.24,-2.55,;-.16,-4.04,;-1.64,-4.43,;-2.73,-3.35,;-4.22,-3.75,;-4.62,-5.24,;-6.07,-1.86,;-7.56,-1.46,;-5.68,-3.35,)|

BDBM50628977

OC(=O)[C@H]1[C@@H]([C@@H]([C@H]1c1ccccc1)C(=O)Oc1cc(ccc1C#N)C1=CCOCC1)c1ccccc1 |r,wU:4.33,5.14,wD:3.2,6.7,t:27,(-6.88,-1.8,;-5.39,-2.2,;-4.99,-3.69,;-4.3,-1.11,;-2.74,-1.11,;-2.74,.43,;-4.3,.43,;-5.39,1.52,;-6.88,1.12,;-7.97,2.2,;-7.57,3.69,;-6.09,4.09,;-4.99,3.01,;-1.65,1.52,;-2.05,3,;-.16,1.12,;.93,2.21,;2.42,1.81,;3.5,2.9,;3.1,4.38,;1.62,4.78,;.53,3.69,;-.96,4.09,;-2.45,4.49,;4.99,2.5,;6.08,3.59,;7.57,3.19,;7.97,1.7,;6.88,.62,;5.39,1.01,;-1.65,-2.2,;-.16,-1.8,;.92,-2.89,;.52,-4.38,;-.95,-4.78,;-2.05,-3.7,)|

BDBM50628978

OC(=O)[C@H]1[C@@H]([C@@H]([C@H]1c1ccccc1)C(=O)Nc1cc(ccc1C#N)C1=CCOCC1)c1ccccc1 |r,wU:4.33,5.14,wD:3.2,6.7,t:27,(-6.88,-1.8,;-5.39,-2.2,;-4.99,-3.69,;-4.3,-1.11,;-2.74,-1.11,;-2.74,.43,;-4.3,.43,;-5.39,1.52,;-6.88,1.12,;-7.97,2.2,;-7.57,3.69,;-6.09,4.09,;-4.99,3.01,;-1.65,1.52,;-2.05,3,;-.16,1.12,;.93,2.21,;2.42,1.81,;3.5,2.9,;3.1,4.38,;1.62,4.78,;.53,3.69,;-.96,4.09,;-2.45,4.49,;4.99,2.5,;6.08,3.59,;7.57,3.19,;7.97,1.7,;6.88,.62,;5.39,1.01,;-1.65,-2.2,;-.16,-1.8,;.92,-2.89,;.52,-4.38,;-.95,-4.78,;-2.05,-3.7,)|

BDBM50628979

OC(=O)[C@H]1[C@@H]([C@@H]([C@H]1c1ccccc1)C(=O)Oc1cccc(c1)-c1ccc2CC(=O)Nc2c1)c1ccccc1 |r,wU:4.36,5.14,wD:3.2,6.7,(-7.99,-1.8,;-6.5,-2.2,;-6.1,-3.69,;-5.41,-1.11,;-3.85,-1.11,;-3.85,.43,;-5.41,.43,;-6.5,1.52,;-7.99,1.12,;-9.07,2.2,;-8.67,3.69,;-7.19,4.09,;-6.1,3.01,;-2.76,1.52,;-3.16,3,;-1.27,1.12,;-.18,2.21,;-.58,3.69,;.51,4.78,;2,4.38,;2.4,2.9,;1.31,1.81,;3.88,2.5,;4.97,3.59,;6.46,3.19,;6.85,1.7,;8.22,1.01,;7.98,-.5,;9.07,-1.59,;6.47,-.75,;5.77,.62,;4.28,1.01,;-2.76,-2.2,;-1.27,-1.8,;-.18,-2.89,;-.58,-4.38,;-2.06,-4.78,;-3.16,-3.7,)|

BDBM50628980

OC(=O)[C@H]1[C@@H]([C@@H]([C@H]1c1ccccc1)C(=O)Nc1cccc(c1)-c1ccc2CC(=O)Nc2c1)c1ccccc1 |r,wU:4.36,5.14,wD:3.2,6.7,(-7.99,-1.8,;-6.5,-2.2,;-6.1,-3.69,;-5.41,-1.11,;-3.85,-1.11,;-3.85,.43,;-5.41,.43,;-6.5,1.52,;-7.99,1.12,;-9.07,2.2,;-8.67,3.69,;-7.19,4.09,;-6.1,3.01,;-2.76,1.52,;-3.16,3,;-1.27,1.12,;-.18,2.21,;-.58,3.69,;.51,4.78,;2,4.38,;2.4,2.9,;1.31,1.81,;3.88,2.5,;4.97,3.59,;6.46,3.19,;6.85,1.7,;8.22,1.01,;7.98,-.5,;9.07,-1.59,;6.47,-.75,;5.77,.62,;4.28,1.01,;-2.76,-2.2,;-1.27,-1.8,;-.18,-2.89,;-.58,-4.38,;-2.06,-4.78,;-3.16,-3.7,)|

BDBM50628981

COc1ccccc1[C@H]1[C@@H]([C@@H]([C@H]1C(=O)OC1Cc2ccccc2C1)c1ccccc1OC)C(O)=O |r,wU:8.8,11.13,wD:9.36,10.27,(-2.07,-5.95,;-1.67,-4.46,;-.18,-4.06,;.91,-5.14,;2.39,-4.74,;2.79,-3.25,;1.71,-2.17,;.22,-2.56,;-.87,-1.48,;-2.44,-1.48,;-2.44,.06,;-.87,.06,;.22,1.15,;-.18,2.64,;1.71,.76,;2.8,1.84,;2.56,3.36,;3.93,4.06,;4.33,5.55,;5.81,5.95,;6.9,4.87,;6.51,3.38,;5.02,2.98,;4.32,1.6,;-3.52,1.15,;-3.12,2.65,;-4.22,3.73,;-5.7,3.33,;-6.1,1.84,;-5.01,.76,;-5.41,-.73,;-6.9,-1.13,;-3.52,-2.56,;-5.01,-2.17,;-3.13,-4.05,)|

BDBM50628982

COc1ccccc1[C@H]1[C@@H]([C@@H]([C@H]1C(=O)NC1Cc2ccccc2C1)c1ccccc1OC)C(O)=O |r,wU:8.8,11.13,wD:9.36,10.27,(-2.07,-5.95,;-1.67,-4.46,;-.18,-4.06,;.91,-5.14,;2.39,-4.74,;2.79,-3.25,;1.71,-2.17,;.22,-2.56,;-.87,-1.48,;-2.44,-1.48,;-2.44,.06,;-.87,.06,;.22,1.15,;-.18,2.64,;1.71,.76,;2.8,1.84,;2.56,3.36,;3.93,4.06,;4.33,5.55,;5.81,5.95,;6.9,4.87,;6.51,3.38,;5.02,2.98,;4.32,1.6,;-3.52,1.15,;-3.12,2.65,;-4.22,3.73,;-5.7,3.33,;-6.1,1.84,;-5.01,.76,;-5.41,-.73,;-6.9,-1.13,;-3.52,-2.56,;-5.01,-2.17,;-3.13,-4.05,)|

BDBM50628983

COc1ccccc1[C@H]1[C@@H]([C@@H]([C@H]1C(=O)OCc1ccccc1-c1ccccc1)c1ccccc1OC)C(O)=O |r,wU:8.8,11.13,wD:9.40,10.31,(-2.25,-6.47,;-1.85,-4.98,;-.36,-4.58,;.74,-5.67,;2.22,-5.27,;2.61,-3.78,;1.53,-2.69,;.04,-3.09,;-1.05,-2,;-2.61,-2,;-2.61,-.46,;-1.05,-.46,;.04,.63,;-.36,2.12,;1.53,.23,;2.62,1.32,;4.11,.92,;4.51,-.57,;6,-.96,;7.08,.12,;6.68,1.61,;5.19,2.01,;4.8,3.5,;3.31,3.9,;2.91,5.38,;4,6.47,;5.48,6.08,;5.89,4.59,;-3.7,.63,;-3.3,2.12,;-4.4,3.2,;-5.88,2.81,;-6.28,1.32,;-5.19,.23,;-5.59,-1.26,;-7.08,-1.66,;-3.7,-3.09,;-5.19,-2.69,;-3.3,-4.58,)|

BDBM50628984

COc1ccccc1[C@H]1[C@@H]([C@@H]([C@H]1C(=O)NCc1ccccc1-c1ccccc1)c1ccccc1OC)C(O)=O |r,wU:8.8,11.13,wD:9.40,10.31,(-2.24,-6.47,;-1.85,-4.98,;-.36,-4.58,;.74,-5.66,;2.22,-5.27,;2.61,-3.78,;1.53,-2.69,;.04,-3.09,;-1.05,-2,;-2.61,-2,;-2.61,-.46,;-1.05,-.46,;.04,.63,;-.36,2.12,;1.53,.23,;2.62,1.32,;4.11,.92,;4.51,-.57,;5.99,-.96,;7.08,.12,;6.68,1.61,;5.19,2.01,;4.8,3.5,;3.31,3.9,;2.91,5.38,;4,6.47,;5.48,6.08,;5.89,4.59,;-3.7,.63,;-3.3,2.12,;-4.4,3.2,;-5.88,2.81,;-6.27,1.32,;-5.19,.23,;-5.59,-1.26,;-7.08,-1.66,;-3.7,-3.09,;-5.19,-2.69,;-3.3,-4.58,)|

BDBM50212874

OC(=O)CNc1cccc(c1)-c1ccccc1-c1nc(c([nH]1)-c1ccccc1)-c1ccccc1

BDBM50212882

CCc1c(c(nn1-c1ccccc1-c1cccc(c1)C(O)C(O)=O)-c1ccccc1)-c1ccccc1 |w:19.22|

BDBM50212879

OC(=O)COc1cccc(c1)-c1ccccc1-c1nc(c([nH]1)-c1ccccc1)-c1ccccc1

BDBM50212872

OC(=O)CNc1cccc(c1)-c1ccccc1-c1nc(c(-c2ccccc2)n1CC(O)=O)-c1ccccc1

BDBM50002838

OC(=O)CCCCOc1ccccc1-c1nc(c(o1)-c1ccccc1)-c1ccccc1

BDBM50212880

CC(C)Cn1c(nc(c1-c1ccccc1)-c1ccccc1)-c1ccccc1-c1cccc(NCC(O)=O)c1