SMILES for Pancreatic triacylglycerol lipase

232 SMILES Strings for Pancreatic triacylglycerol lipase

Compound Name

SMILES String

CC(C)(O)CCc1c(O)cc(O)c2C(=O)C[C@@H](Oc12)c1cc2C=CC(C)(C)Oc2cc1O |r,c:24|

BDBM50207385

CC(C)=CCCC1(C)Oc2c(C)cc3c([nH]c4ccccc34)c2C=C1 |c:26,(11.36,-24.12,;9.81,-24.12,;9.04,-25.45,;9.04,-22.78,;7.5,-22.77,;6.74,-21.43,;5.19,-21.43,;5.96,-20.08,;3.86,-20.66,;2.52,-21.44,;1.19,-20.67,;1.19,-19.13,;-.14,-21.44,;-.14,-22.98,;1.2,-23.74,;.88,-25.25,;-.65,-25.41,;-1.57,-26.66,;-3.11,-26.49,;-3.73,-25.09,;-2.81,-23.84,;-1.28,-24,;2.52,-22.97,;3.86,-23.73,;5.18,-22.96,)|

BDBM50138735

CC(C)c1c(C)n(oc1=O)C(=O)N1CCC[C@H](C)C1 |r|

BDBM50371232

CC(C)c1cc2CC[C@H]3C(C)(C)CCC[C@]3(C(O)=O)c2c(O)c1O |r|

BDBM50213683

CC(C)c1cc2[C@@H]3C[C@H]4C(C)(C)CCC[C@]4(C(=O)O3)c2c(O)c1O |r|

BDBM50346601

CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O |r,c:10|

BDBM50083074

CC1(C)Oc2cc3oc(cc3cc2C=C1)-c1cc(O)cc(O)c1 |c:15|

BDBM50115097

CC1(C)Oc2cc3occc(=O)c3c(O)c2C=C1 |c:18|

BDBM50212744

CCCC(=O)OCC(COC(=O)CCC)OC(=O)CCC

BDBM50552242

CCCCCCCCCCC[C@@H](CC1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O

BDBM50215413

CCCCCCCCCCC[C@@H](C[C@@H]1OC(=C)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O

BDBM50262486

CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)C(CC(C)C)NC=O

BDBM50274723

CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@@H](CC(C)C)NC=O |r|

BDBM24567

CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O |r|

BDBM50569167

CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)c1ccc(O)cc1 |r|

BDBM50569168

CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)c1ccc(OC)cc1 |r|

BDBM50569165

CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)c1ccc(OCC#C)cc1 |r|

BDBM50569166

CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)c1cccc(OC)c1 |r|

BDBM50465322

CCCCCCCCCCC[C@@H](C[C@H]1OC(=O)[C@@H]1CCCCCC)OC(=O)[C@@H](CC(C)C)NC=O |r|

BDBM50465320

CCCCCCCCCCC[C@@H](C[C@H]1OC(=O)[C@@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O |r|

BDBM50465321

CCCCCCCCCCC[C@@H](C[C@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O |r|

BDBM50465318

CCCCCCCCCCC[C@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@@H](CC(C)C)NC=O |r|

BDBM50465317

CCCCCCCCCCC[C@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O |r|

BDBM50465319

CCCCCCCCCCC[C@H](C[C@H]1OC(=O)[C@@H]1CCCCCC)OC(=O)[C@@H](CC(C)C)NC=O |r|

BDBM50465323

CCCCCCCCCCC[C@H](C[C@H]1OC(=O)[C@@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O |r|

BDBM50381861

CCCCCCCOc1ccc(NC(=O)CCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)cc1 |r|

BDBM50595125

CCCCCC[C@H]1[C@H](C[C@H](C\C=C/C\C=C/CCCCC)OC(=O)[C@H](CC(C)C)NC=O)OC1=O |r|

BDBM50381860

CCCCOc1ccc(NC(=O)CCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)cc1 |r|

BDBM50381858

CCCCOc1ccc(NC(=O)CCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)cc1 |r|

BDBM50381859

CCCCOc1ccc(NC(=O)CCC(=O)N[C@H](C(=O)N[C@H](C(N)=O)c2ccc3ccccc3c2)c2ccc3ccccc3c2)cc1 |r|

BDBM50552229

CCCOc1ccc2C\C(=C/c3ccc(O)c(OC)c3)C(=O)c2c1

BDBM50552233

CCN(CC)c1ccc2C\C(=C/c3ccc(O)c(OC)c3)C(=O)c2c1

BDBM50138734

CCOc1nn(-c2cccc(OCc3ccccc3)c2)c(=O)o1

BDBM50207390

CCn1c2ccccc2c2cc(ccc12)C(=O)C(=O)Nc1cc(OC)c(OC)c(OC)c1

BDBM50207394

CCn1c2ccccc2c2cc(ccc12)C(=O)C(=O)Nc1ccc(OC)c(OC)c1

BDBM50207374

CCn1c2ccccc2c2cc(ccc12)C(=O)C(=O)Nc1ccc(cc1)N(C)C

BDBM50207373

CCn1c2ccccc2c2cc(ccc12)C(=O)C(=O)Nc1ccc2ncccc2c1

BDBM50207396

CCn1c2ccccc2c2cc(ccc12)C(=O)C(=O)Nc1ccccc1

BDBM50138737

CN(C(=O)n1nc(nc1SCC(F)(F)F)-c1ccc(Cl)cc1)c1ccccc1

BDBM50207379

CN(C)c1ccc(NC(=O)C(=O)c2ccc3n(Cc4ccc(Cl)cc4)c4ccccc4c3c2)cc1

BDBM50213686

COC(=O)C(CC1(O)C2OC2C2OC2C1=O)NC(=O)\C=C\CCCC\C=C\C |w:4.18,10.9,8.8,6.6,13.13,11.12|

BDBM50213694

COC(=O)[C@@H](C[C@@]1(O)C2OC2C2OC2C1=O)NC(=O)\C=C\CCCC\C=C\C |w:10.9,8.8,13.13,11.12|

BDBM50213689

COC(=O)[C@H](C[C@]1(O)C2OC2C2OC2C1=O)NC(=O)\C=C\CCCC\C=C\C |w:10.9,8.8,13.13,11.12|

BDBM50381001

COC1=CC(=O)C=CC1(O)CCCc1ccc(O)cc1 |c:6,t:2|

BDBM246488

COc1c(O)cc(CCc2ccccc2)cc1O

BDBM246486

COc1c(O)cccc1CCc1cc(O)cc(O)c1

BDBM50067040

COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O |w:12.11,5.4|

BDBM50177405

COc1cc(C=O)ccc1O

BDBM246503

COc1cc(CC[C@@H](O)C[C@H](O)CCc2ccc(O)c(OC)c2)ccc1O |r|

BDBM246485

COc1cc(CCc2cc(O)cc(O)c2)ccc1O

BDBM246490

COc1cc(CCc2ccccc2)cc(OC)c1

BDBM246491

COc1cc(CCc2ccccc2O)cc(O)c1OC

BDBM246489

COc1cc(CCc2ccccc2O)cc(OC)c1

BDBM246492

COc1cc(CCc2ccccc2O)cc(OC)c1OC

BDBM50207370

COc1cc(NC(=O)C(=O)c2ccc3[nH]c4ccccc4c3c2)cc(OC)c1OC

BDBM50207387

COc1cc(NC(=O)C(=O)c2ccc3n(C)c4ccccc4c3c2)cc(OC)c1OC

BDBM50207381

COc1cc(NC(=O)C(=O)c2ccc3n(Cc4ccc(Cl)cc4)c4ccccc4c3c2)cc(OC)c1OC

BDBM246496

COc1cc(O)c-2c(CCc3cc(O)ccc-23)c1

BDBM246487

COc1cc(O)cc(CCc2cccc(O)c2)c1

BDBM50211956

COc1cc(O)cc(CCc2ccccc2O)c1

BDBM50337361

COc1cc(O)cc(c1)[C@@H]1CC(=O)O[C@H]1C |r|

BDBM246498

COc1cc(O)cc-2c1OCCc1ccccc-21

BDBM246495

COc1cc(O)cc2CCc3cccc(O)c3-c12

BDBM50380997

COc1cc(O)ccc1CCCc1ccc(O)cc1

BDBM50552218

COc1cc(OC)c(\C=C2/Cc3ccc(O)cc3C2=O)c(OC)c1

BDBM50552220

COc1cc(OC)c(\C=C2/Cc3ccc(O)cc3C2=O)cc1OC

BDBM246494

COc1cc(OC)c2c(ccc3cc(OC)c(O)cc23)c1

BDBM50552215

COc1cc(\C=C2/Cc3ccc(N)cc3C2=O)ccc1O

BDBM50552237

COc1cc(\C=C2/Cc3ccc(NCCC(C)CCCC(C)C)cc3C2=O)ccc1O

BDBM50552235

COc1cc(\C=C2/Cc3ccc(NCCCCC=C)cc3C2=O)ccc1O

BDBM50552239

COc1cc(\C=C2/Cc3ccc(NCCCCCCCCC=C)cc3C2=O)ccc1O

BDBM50552241

COc1cc(\C=C2/Cc3ccc(NCCCCCCCCCCCCO)cc3C2=O)ccc1O

BDBM50552217

COc1cc(\C=C2/Cc3ccc(O)cc3C2=O)cc(OC)c1OC

BDBM50552214

COc1cc(\C=C2/Cc3ccc(O)cc3C2=O)ccc1O

BDBM50552230

COc1cc(\C=C2/Cc3ccc(OC(C)C)cc3C2=O)ccc1O

BDBM50552236

COc1cc(\C=C2/Cc3ccc(cc3C2=O)N(CCC(C)CCCC(C)C)CCC(C)CCCC(C)C)ccc1O

BDBM50552234

COc1cc(\C=C2/Cc3ccc(cc3C2=O)N(CCCCC=C)CCCCC=C)ccc1O

BDBM50552238

COc1cc(\C=C2/Cc3ccc(cc3C2=O)N(CCCCCCCCC=C)CCCCCCCCC=C)ccc1O

BDBM50552240

COc1cc(\C=C2/Cc3ccc(cc3C2=O)N(CCCCCCCCCCCCO)CCCCCCCCCCCCO)ccc1O

BDBM50552232

COc1cc(\C=C2/Cc3ccc(cc3C2=O)N2CCCC2)ccc1O

BDBM50552231

COc1cc(\C=C2/Cc3ccc(cc3C2=O)N2CCCCC2)ccc1O

BDBM50552212

COc1cc(\C=C2/Cc3ccccc3C2=O)ccc1O

BDBM50259746

COc1cc(\C=C\C(=O)OCCc2ccc(O)cc2)ccc1O

BDBM246501

COc1cc(\C=C\C=C\C(=O)CCc2ccc(O)cc2)ccc1O

BDBM50114972

COc1cc(ccc1O)-c1coc2cc(O)cc(O)c2c1=O

BDBM23409

COc1cc(ccc1O)-c1oc2cc(O)cc(O)c2c(=O)c1O

BDBM50337364

COc1cc(ccc1O)C(O)=O

BDBM50337362

COc1cc(ccc1O)[C@@H](O)[C@H](C)O |r|

BDBM50337363

COc1cc(ccc1O)[C@H](O)[C@H](C)O |r|

BDBM50337360

COc1cc(ccc1O)[C@H]1CC(=O)O[C@H]1C |r|

BDBM224805

COc1cc2OCC3Oc4c5C[C@@H](Oc5ccc4C(=O)C3c2cc1OC)C(C)=C |r|

BDBM224806

COc1cc2OCC3Oc4c5C[C@@H](Oc5ccc4[C@]4(CO4)C3c2cc1OC)C(C)=C |r|

BDBM50135527

COc1cc2OC[C@H]3Oc4c5C[C@@H](Oc5ccc4C(=O)[C@H]3c2cc1OC)C(C)=C |r|

BDBM224807

COc1cc2OC[C@H]3Oc4c5C[C@@H](Oc5ccc4[C@@]4(CC5O[C@]5(O)[C@@H](O)O4)[C@H]3c2cc1OC)C(C)=C |r|

BDBM50429042

COc1cc2OC[C@H]3Oc4c5C[C@@H](Oc5ccc4[C@@]4(C[C@H]5O[C@@]5(O)[C@H](O)O4)[C@H]3c2cc1OC)C(C)=C |r|

BDBM50429043

COc1cc2OC[C@H]3Oc4c5C[C@@H](Oc5ccc4[C@]4(CO4)[C@H]3c2cc1OC)C(C)=C |r|

BDBM50207383

COc1cc2[nH]c3c4C=CC(C)(C)Oc4c(C)cc3c2cc1OC |c:8|

BDBM246493

COc1cc2c(ccc3cc(O)cc(OC)c23)cc1O

BDBM50251012

COc1ccc(CCCc2ccc(O)cc2)c(O)c1

BDBM50207376

COc1ccc(NC(=O)C(=O)c2ccc3[nH]c4ccccc4c3c2)cc1

BDBM50207372

COc1ccc(NC(=O)C(=O)c2ccc3[nH]c4ccccc4c3c2)cc1OC

BDBM50207388

COc1ccc(NC(=O)C(=O)c2ccc3n(Cc4ccc(Cl)cc4)c4ccccc4c3c2)cc1

BDBM50207386

COc1ccc(NC(=O)C(=O)c2ccc3n(Cc4ccc(Cl)cc4)c4ccccc4c3c2)cc1OC

BDBM50552216

COc1ccc(\C=C2/Cc3ccc(O)cc3C2=O)c(OC)c1

BDBM9461

COc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O

BDBM50269345

COc1ccc(cc1)-c1nn(cc1\C=C1/SC(=O)N(Cc2ccc(cc2)[N+]([O-])=O)C1=O)-c1ccccc1

BDBM50269349

COc1ccc(cc1)-c1nn(cc1\C=C1/SC(=O)NC1=O)-c1ccccc1

BDBM50083068

COc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1OC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|

BDBM50380999

COc1ccc(cc1)-c1oc2cc(O)ccc2c(=O)c1O

BDBM50381000

COc1ccc(cc1O)-c1oc2cc(O)ccc2c(=O)c1O

BDBM50380998

COc1ccc(cc1O)C1CCc2ccc(O)cc2O1

BDBM50552228

COc1ccc2C\C(=C/c3ccc(O)c(OC)c3)C(=O)c2c1

BDBM50207384

COc1ccc2[nH]c3c4C=CC(C)(C)Oc4c(C)cc3c2c1 |c:9|

BDBM50207392

COc1cccc(NC(=O)C(=O)c2ccc3[nH]c4ccccc4c3c2)c1

BDBM50207382

COc1cccc(NC(=O)C(=O)c2ccc3n(Cc4ccc(Cl)cc4)c4ccccc4c3c2)c1

BDBM50138739

COc1nn(-c2ccc(NC(=O)c3ccc(cc3)C(C)(C)C)cc2)c(=O)o1

BDBM50521226

CS(=O)(=O)C(c1nnc(CNS(N)(=O)=O)o1)c1nc2ccc(cc2s1)-c1ccccc1

BDBM50138751

CSc1nc(nn1C(=O)N(C)c1ccccc1)-c1ccc(OC(F)(F)F)cc1

BDBM50326047

C[C@@H](O)[C@@H](NC(=O)[C@@H](CCC(N)=O)NC(=O)CNC(=O)[C@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CS)C(=O)N[C@H](CS)C(O)=O |r|

BDBM50207395

Cc1ccc(NC(=O)C(=O)c2ccc3n(Cc4ccc(Cl)cc4)c4ccccc4c3c2)cc1

BDBM50269340

Cc1ccc(cc1)-c1nn(cc1\C=C1/SC(=O)N(Cc2ccc(cc2)[N+]([O-])=O)C1=O)-c1ccccc1

BDBM50269348

Cc1ccc(cc1)-c1nn(cc1\C=C1/SC(=O)NC1=O)-c1ccccc1

BDBM50207377

Cc1cnc(NC(=O)C(=O)c2ccc3n(Cc4ccc(Cl)cc4)c4ccccc4c3c2)s1

BDBM50207378

Clc1ccc(Cn2c3ccccc3c3cc(ccc23)C(=O)C(=O)Nc2ccc3ncccc3c2)cc1

BDBM50207371

Clc1ccc(Cn2c3ccccc3c3cc(ccc23)C(=O)C(=O)Nc2ccccc2)cc1

BDBM50207393

Clc1ccc(Cn2c3ccccc3c3cc(ccc23)C(=O)C(=O)Nc2ccncc2)cc1

BDBM50269333

Clc1ccc(cc1)-c1nn(cc1\C=C1/SC(=O)NC1=O)-c1ccccc1

BDBM50207391

Cn1c2ccccc2c2cc(ccc12)C(=O)C(=O)Nc1ccccc1

BDBM50207380

Fc1ccc(NC(=O)C(=O)c2ccc3n(Cc4ccc(Cl)cc4)c4ccccc4c3c2)cc1

BDBM50269350

Fc1ccc(cc1)-c1nn(cc1\C=C1/SC(=O)NC1=O)-c1ccccc1

BDBM50207389

O=C(Nc1ccccc1)C(=O)c1ccc2[nH]c3ccccc3c2c1

BDBM50207375

O=C(Nc1ccncc1)C(=O)c1ccc2[nH]c3ccccc3c2c1

BDBM29143

O=C(\C=C\c1ccccc1)c1ccccc1

BDBM50269351

O=C1NC(=O)\C(S1)=C\c1cn(nc1-c1ccccc1)-c1ccccc1

BDBM4375

OC(=O)\C=C\c1ccc(O)c(O)c1

BDBM50085536

OC(=O)c1cc(O)c(O)c(O)c1

BDBM50392477

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

BDBM50241354

OC[C@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O |r|

BDBM50392474

OC[C@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O |r|

BDBM50241243

OC[C@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O |r|

BDBM50262489

OC[C@H]1O[C@@H](Oc2cc(O)c(Cc3c(O)cc(O)c(C(=O)CCc4ccc(O)cc4)c3O)c(O)c2C(=O)CCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O |r|

BDBM50262490

OC[C@H]1O[C@@H](Oc2cc(O)c(Cc3c(O)cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(C(=O)CCc4ccc(O)cc4)c3O)c(O)c2C(=O)CCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O |r|

BDBM20875

OC[C@H]1O[C@@H](Oc2cc(O)cc(O)c2C(=O)CCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O

BDBM50392475

O[C@@H](COC(=O)c1cc(O)c(O)c(O)c1)[C@@H](OC(=O)\C=C\c1ccc(O)c(O)c1)C(O)=O |r|

BDBM50114966

O[C@@H]1[C@H](Oc2cc(O)c(O)c(O)c2C1=O)c1ccc(O)cc1 |r|

BDBM50240348

O[C@@H]1[C@H](Oc2cc(O)cc(O)c2C1=O)c1ccc(O)cc1 |r|

BDBM246502

O[C@H](CCc1ccc(O)cc1)C[C@H](O)CCc1ccc(O)cc1 |r|

BDBM50392476

O[C@H]([C@H](COC(=O)c1cc(O)c(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c(O)c1)C(O)=O |r|

BDBM50523031

O[C@H]1Cc2c(O)c(Cc3c(O)cc(O)c4C[C@H](O)[C@H](Oc34)c3ccc(O)c(O)c3)c(O)cc2O[C@@H]1c1ccc(O)c(O)c1 |r|

BDBM50523030

O[C@H]1Cc2c(O)c(Cc3c(O)cc4O[C@@H]([C@@H](O)Cc4c3O)c3ccc(O)c(O)c3)c(O)cc2O[C@@H]1c1ccc(O)c(O)c1 |r|

BDBM50523033

O[C@H]1Cc2c(O)cc(O)c(Cc3c(O)c(Cc4c(O)c(Cc5c(O)cc(O)c6C[C@H](O)[C@H](Oc56)c5ccc(O)c(O)c5)c(O)c5C[C@H](O)[C@H](Oc45)c4ccc(O)c(O)c4)c4O[C@@H]([C@@H](O)Cc4c3O)c3ccc(O)c(O)c3)c2O[C@@H]1c1ccc(O)c(O)c1 |r|

BDBM50523032

O[C@H]1Cc2c(O)cc(O)c(Cc3c(O)c(Cc4c(O)cc(O)c5C[C@H](O)[C@H](Oc45)c4ccc(O)c(O)c4)c4O[C@@H]([C@@H](O)Cc4c3O)c3ccc(O)c(O)c3)c2O[C@@H]1c1ccc(O)c(O)c1 |r|

BDBM50523034

O[C@H]1Cc2c(O)cc(O)c(Cc3c(O)cc(O)c4C[C@H](O)[C@H](Oc34)c3ccc(O)c(O)c3)c2O[C@@H]1c1ccc(O)c(O)c1 |r|

BDBM23416

O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1 |r|

BDBM246497

Oc1cc(O)c2OCCc3ccccc3-c2c1

BDBM7460

Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O

BDBM50115096

Oc1cc(O)c2c(c1)occc2=O

BDBM64584

Oc1cc(O)cc(CCc2ccccc2O)c1

BDBM50083072

Oc1cc(O)cc(c1)-c1cc2cc(O)c(O)cc2o1

BDBM50083073

Oc1cc(O)cc(c1)-c1cc2cc3ccoc3cc2o1

BDBM50083071

Oc1cc(O)cc(c1)-c1cc2ccc(O)c(O)c2o1

BDBM50114931

Oc1cc(O)cc(c1)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1 |r|

BDBM50269605

Oc1ccc(C2CC(=O)c3c(O)cc(O)cc3O2)c(O)c1

BDBM50083070

Oc1ccc(C2CC(=O)c3ccc(O)cc3O2)c(O)c1

BDBM246500

Oc1ccc(CCC(=O)\C=C\C=C\c2ccc(O)cc2)cc1

BDBM50262488

Oc1ccc(CCC(=O)c2c(O)cc(O)c(Cc3c(O)cc(O)c(C(=O)CCc4ccc(O)cc4)c3O)c2O)cc1

BDBM23446

Oc1ccc(CCC(=O)c2c(O)cc(O)cc2O)cc1

BDBM50131679

Oc1ccc(CCOC(=O)\C=C\c2ccc(O)cc2)cc1

BDBM50552219

Oc1ccc(\C=C2/Cc3ccc(O)cc3C2=O)cc1

BDBM50552213

Oc1ccc(\C=C2/Cc3ccccc3C2=O)cc1

BDBM246499

Oc1ccc(\C=C\C=C\C(=O)\C=C\c2ccc(O)cc2)cc1

BDBM50108046

Oc1ccc(\C=C\c2cc(O)cc(O)c2)c(O)c1

BDBM50269559

Oc1ccc(c(O)c1)-c1cc(=O)c2c(O)cc(O)cc2o1

BDBM26658

Oc1ccc(c(O)c1)-c1oc2cc(O)cc(O)c2c(=O)c1O

BDBM19459

Oc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O

BDBM7462

Oc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1O

BDBM50241625

Oc1ccc(cc1)C1CCc2ccc(O)cc2O1

BDBM23419

Oc1ccc(cc1)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1 |r|

BDBM50552223

Oc1ccc2C\C(=C/c3ccc(Br)cc3)C(=O)c2c1

BDBM50552225

Oc1ccc2C\C(=C/c3ccc(Cl)c(Cl)c3)C(=O)c2c1

BDBM50552226

Oc1ccc2C\C(=C/c3ccc(F)cc3)C(=O)c2c1

BDBM50552222

Oc1ccc2C\C(=C/c3cccc(Br)c3)C(=O)c2c1

BDBM50552221

Oc1ccc2C\C(=C/c3ccccc3Br)C(=O)c2c1

BDBM50552224

Oc1ccc2C\C(=C/c3ccccc3Cl)C(=O)c2c1

BDBM50552227

Oc1ccc2C\C(=C/c3ccccc3F)C(=O)c2c1

BDBM50250915

Oc1ccc2cc(oc2c1)-c1cc(O)cc(O)c1

BDBM50465353

[#6]-[#6]-[#6](-[#6])-[#6](=O)-[#6]-1=[#6](-[#8])C([#6])([#6])[#6](-[#8])=[#6](-[#6]-c2c(-[#8])c(-[#6]-[#6](-[#8])-[#6](=[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6])c(-[#8])c(-[#6](=O)-[#6](-[#6])-[#6])c2-[#8])-[#6]-1=O |c:6,t:13|

BDBM50465352

[#6]-[#6]-[#6](-[#6])-[#6](=O)-[#6]-1=[#6](-[#8])C([#6])([#6])[#6](-[#8])=[#6](-[#6]-c2c(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6])c(-[#8])c(-[#6](=O)-[#6](-[#6])-[#6])c2-[#8])-[#6]-1=O |c:6,t:13|

BDBM50168020

[#6]-[#8]-c1cc(-[#8])cc(-c2cc3ccc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c3o2)c1-[#6]\[#6]=[#6](\[#6])-[#6]

BDBM50168023

[#6]-[#8]-c1cc(-[#8])cc(-c2cc3ccc(-[#8])cc3o2)c1-[#6]\[#6]=[#6](\[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]

BDBM50168018

[#6]-[#8]-c1cc(-[#8])cc(\[#6]=[#6]\c2ccc(-[#8])cc2)c1-[#6]\[#6]=[#6](\[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6]

BDBM50168024

[#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]/[#6]-c1c(-[#8])cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c1-c1cc2ccc(-[#8])cc2o1

BDBM50303004

[#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]/[#6]-c1c(-[#8])cc(-[#8])cc1-c1cc2ccc(-[#8])cc2o1

BDBM50168021

[#6]\[#6](-[#6])=[#6]\[#6]-[#6]C1([#6])[#8]-c2cc(cc(-[#8])c2-[#6]=[#6]1)-c1cc2ccc(-[#8])cc2o1 |c:17|

BDBM50168019

[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]/[#6]-c1c(-[#8])cc2-[#8]-[#6@@H](-[#6]-[#6](=O)-c2c1-[#8])-c1ccc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c1-[#8] |r|

BDBM50168022

[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]/[#6]-c1c(-[#8])ccc2cc(oc12)-c1cc(-[#8])c2ccoc2c1

BDBM50591622

[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-1=[#6][C@@]2([#8]-[#6]-1=O)c1cc(-[#8])ccc1-[#8]-[#6](=O)[C@]2([#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])[#6]-[#6](=O)-c1cc(-[#8])ccc1-[#8] |r,t:11|

BDBM50591621

[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-1=[#6][C@]2([#8]-[#6]-1=O)c1cc(-[#8])ccc1-[#8]-[#6](=O)[C@@]2([#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])[#6]-[#6](=O)-c1cc(-[#8])ccc1-[#8] |r,t:11|

BDBM50303002

[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc(-[#8])cc1-c1cc2ccc(-[#8])cc2o1

BDBM50303006

[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])ccc2cc(oc12)-c1cc(-[#8])cc(-[#8])c1-[#6]\[#6]=[#6](\[#6])-[#6]

BDBM50114928

[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])c(-[#6]-c2ccc(-[#8])cc2)c(-[#8])c2-[#6](=O)-[#6]-[#6@H](-[#8]-c12)-c1ccc(-[#8])cc1 |r|

BDBM50442403

[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c2occ(-c3ccc(-[#8])cc3)c(=O)c2c1-[#8]

BDBM50114930

[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc(-[#8])c2-[#6](=O)-[#6]-[#6](-[#8]-c12)-c1ccc(-[#8])cc1

BDBM50242015

[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc(-[#8])c2c1oc(-c1ccc(-[#8])cc1-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c2=O

BDBM50381284

[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc(cc1-[#8])-c1cc2ccc(-[#8])cc2o1

BDBM50193719

[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc2-[#8]-[#6@@H](-[#6]-[#6](=O)-c2c1-[#8])-c1cc2-[#6]=[#6]C([#6])([#6])[#8]-c2cc1-[#8] |c:23|

BDBM50114967

[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc2occ(-c3ccc(-[#8])cc3)c(=O)c2c1-[#8]

BDBM50251013

[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])ccc(-[#6](=O)\[#6]=[#6]\c2ccc(-[#8])cc2-[#8])c1-[#8]

BDBM50193723

[#6]\[#6](-[#6])=[#6]\[#6]-c1cc(-[#6@@H]-2-[#6]-[#6](=O)-c3c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])cc3-[#8]-2)c(-[#8])cc1-[#8]

BDBM50251014

[#6]\[#6](-[#6])=[#6]\[#6]-c1cc2cc(oc2cc1-[#8])-c1cc(-[#8])cc(-[#8])c1

BDBM50367216

[H][C@@]12CCC(=C)C(C\C=C(/CC(=O)OCC#C)C=O)[C@@]1(C)CCCC2(C)C |r|

BDBM50367135

[H][C@@]12CCC(=C)C(C\C=C(/CC(=O)OCc3cn(CC(=O)c4ccccc4)nn3)C=O)[C@@]1(C)CCCC2(C)C |r|

BDBM50367213

[H][C@@]12CCC(=C)C(C\C=C(/CC(=O)OCc3cn(Cc4cc(OC)ccc4Br)nn3)C=O)[C@@]1(C)CCCC2(C)C |r|

BDBM50367138

[H][C@@]12CCC(=C)C(C\C=C(/CC(=O)OCc3cn(Cc4ccc(Cl)cc4)nn3)C=O)[C@@]1(C)CCCC2(C)C |r|

BDBM50367145

[H][C@@]12CCC(=C)C(C\C=C(/CC(=O)OCc3cn(Cc4ccc(F)cc4)nn3)C=O)[C@@]1(C)CCCC2(C)C |r|

BDBM50367214

[H][C@@]12CCC(=C)C(C\C=C(/CC(=O)OCc3cn(Cc4ccc(F)cc4Br)nn3)C=O)[C@@]1(C)CCCC2(C)C |r|

BDBM50367134

[H][C@@]12CCC(=C)C(C\C=C(/CC(=O)OCc3cn(Cc4ccc(OC)cc4)nn3)C=O)[C@@]1(C)CCCC2(C)C |r|

BDBM50367133

[H][C@@]12CCC(=C)C(C\C=C(/CC(=O)OCc3cn(Cc4ccc(SC)cc4)nn3)C=O)[C@@]1(C)CCCC2(C)C |r|

BDBM50367212

[H][C@@]12CCC(=C)C(C\C=C(/CC(=O)OCc3cn(Cc4ccc(cc4)C(C)(C)C)nn3)C=O)[C@@]1(C)CCCC2(C)C |r|

BDBM50367211

[H][C@@]12CCC(=C)C(C\C=C(/CC(=O)OCc3cn(Cc4ccc(cc4)[N+]([O-])=O)nn3)C=O)[C@@]1(C)CCCC2(C)C |r|

BDBM50367143

[H][C@@]12CCC(=C)C(C\C=C(/CC(=O)OCc3cn(Cc4ccccc4)nn3)C=O)[C@@]1(C)CCCC2(C)C |r|

BDBM50367215

[H][C@@]12CCC(=C)C(C\C=C(/CC(=O)OCc3cn(Cc4ccccc4-c4ccccc4)nn3)C=O)[C@@]1(C)CCCC2(C)C |r|

BDBM50367136

[H][C@@]12CCC(=C)C(C\C=C(/CC(O)=O)C=O)[C@@]1(C)CCCC2(C)C |r|

BDBM50367142

[H][C@@]12CCC(=C)C(C\C=C(/CC=O)C=O)[C@@]1(C)CCCC2(C)C |r|

BDBM50232348

[H][C@]12CC(CO)=C[C@@]1(C\C=C(/C)CO)C(=O)O2 |r,c:5|

BDBM50212746

[H][C@]12C[C@@H](OC(=O)CCC)[C@@]1([H])CC=C2 |c:14|

BDBM50232349

[H][C@]12[#6]-[#6](=[#6][C@@]1([#6]\[#6]=[#6](\[#6])-[#6])[#6](=O)-[#8]2)-[#6](-[#8]-[#6])-[#8]-[#6] |r,c:3|

BDBM50269332

[O-][N+](=O)c1ccc(CN2C(=O)S\C(=C/c3cn(nc3-c3ccc(Cl)cc3)-c3ccccc3)C2=O)cc1

BDBM50269346

[O-][N+](=O)c1ccc(CN2C(=O)S\C(=C/c3cn(nc3-c3ccc(F)cc3)-c3ccccc3)C2=O)cc1

BDBM50269347

[O-][N+](=O)c1ccc(CN2C(=O)S\C(=C/c3cn(nc3-c3ccc(cc3)[N+]([O-])=O)-c3ccccc3)C2=O)cc1

BDBM50269335

[O-][N+](=O)c1ccc(CN2C(=O)S\C(=C/c3cn(nc3-c3ccccc3)-c3ccccc3)C2=O)cc1

BDBM50269334

[O-][N+](=O)c1ccc(cc1)-c1nn(cc1\C=C1/SC(=O)NC1=O)-c1ccccc1