SMILES for DNA polymerase beta

287 SMILES Strings for DNA polymerase beta

Compound Name

SMILES String

BDBM50442224

CC(=C)Cn1cc(C=CC(=O)CC(=O)C(O)=O)c2ccccc12 |w:7.6|

BDBM50250352

CC(=C)[C@@H]1CC[C@]2(C)[C@H](CC=C3[C@@H]4C[C@](C)(CC[C@]4(C)CC[C@@]23C)C(O)=O)[C@@]1(C)CCC(O)=O |r,t:10|

BDBM50336502

CC(=O)N1C(C2C(=O)CC(C)(C)CC2=Nc2ccccc12)c1ccc(Cl)cc1Cl |c:14|

BDBM50250720

CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC=C2[C@@H]3CC(C)(C)CC[C@@]3([C@H](C[C@@]12C)OC(C)=O)C(O)=O)OC(C)=O |r,t:21|

BDBM50153112

CC(C)CCC[C@@H](C)[C@H]1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(O)CO |t:14|

BDBM50153106

CC(C)CCC[C@@H](C)[C@H]1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OCC(O)=O |t:14|

BDBM50153118

CC(C)CCC[C@@H](C)[C@H]1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OCCO |t:14|

BDBM50153107

CC(C)CCC[C@@H](C)[C@H]1CCC2C3CC[C@H]4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C

BDBM50153115

CC(C)CCC[C@@H](C)[C@H]1CCC2C3CC[C@H]4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(O)CO

BDBM50153111

CC(C)CCC[C@@H](C)[C@H]1CCC2C3CC[C@H]4C[C@H](CC[C@]4(C)C3CC[C@]12C)OCC(O)=O

BDBM50153110

CC(C)CCC[C@@H](C)[C@H]1CCC2C3CC[C@H]4C[C@H](CC[C@]4(C)C3CC[C@]12C)OCCO

BDBM50442228

CC(C)CCn1cc(C=CC(=O)CC(=O)C(O)=O)c2ccccc12 |w:8.7|

BDBM50250362

CC1(C)C(CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC=C2[C@@H]3C[C@@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O)N=O |r,t:17|

BDBM50292441

CC1(C)CC[C@@]2(CC=C3[C@]4(C)CC[C@H]5C(C)(C)[C@H](C[C@@H](O)[C@]5(C)[C@H]4CC[C@@]3(C)[C@H]2C1)OC(=O)c1ccc(O)cc1)C(O)=O |r,t:7|

BDBM50079577

CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)[C@@H]2C1)C(O)=O |c:10|

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|

BDBM50259786

CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](OC(=O)\C=C/c6ccccc6)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O |r,c:10|

BDBM50259787

CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](OC(=O)\C=C\c6ccccc6)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O |r,c:10|

BDBM50250348

CC1(C)[C@@H]2CC[C@]3(C)[C@H](CC=C4[C@@H]5C[C@@](C)(CC[C@]5(C)CC[C@@]34C)C(O)=O)[C@@]2(C)CCC1=O |r,t:10|

BDBM50250349

CC1(C)[C@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC=C2[C@@H]3C[C@@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O |r,t:18|

BDBM33385

CC12CC(=O)C(=O)C=C1c1cc(O)cc(O)c1C(=O)O2 |c:7|

BDBM33389

CC12CC(=O)C(=O)C=C1c1cccc(O)c1C(=O)O2 |c:7|

BDBM33393

CC12OC(=O)c3c(O)cccc3C1=CC(=O)C=C2 |c:14,18|

BDBM50259782

CC1=C2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@]2(CCC1=C)C(O)=O |r,c:1|

BDBM50208246

CC1Cc2c(C=O)ccc(O)c2C(=O)O1 |w:1.0|

BDBM50208249

CC1Cc2cccc(O)c2C(=O)O1

BDBM50184763

CCC1=C(C(=O)OC)C(=O)[C@H]2[C@@H]1[C@@H](C(=O)OC)C(CC)=C[C@@H]2C(O)=O |c:2,20|

BDBM50157725

CCCC1(CC(O)=O)OCCc2c1[nH]c1c(Cl)ccc(CC)c21

BDBM50448690

CCCCC(=O)C=C(C)C=CCCC(=O)N1CCCC1=O |w:6.5,9.8|

BDBM50356642

CCCCCCCCCCCC(=O)Oc1cccc2C(=O)C=CC(=O)c12 |c:21|

BDBM50250426

CCCCCCCCCCCC(=O)c1c(O)cc(O)c([C@@H]2C[C@H](Oc3cc(O)ccc23)c2ccc(O)cc2)c1O |r|

BDBM50184760

CCCCCCCCCCCCC(=O)C=C1[C@@H](O)[C@H]([C@H](CC)N1Cc1ccccc1)C(=O)OC |w:14.13|

BDBM50184759

CCCCCCCCCCCCC(=O)C=C1[C@H](O)[C@H]([C@@H](N1CCc1c[nH]c2ccccc12)c1ccccc1)C(=O)OC |w:14.13|

BDBM50184751

CCCCCCCCCCCCC(=O)C=C1[C@H](O)[C@H]([C@H](CC)N1CCc1ccccc1)C(=O)OC |w:14.13|

BDBM50184749

CCCCCCCCCCCCC(=O)C=C1[C@H](O)[C@H]([C@H](CC)N1Cc1ccccc1)C(=O)OC |w:14.13|

BDBM50184758

CCCCCCCCCCCCC1=C(C(=O)OC)C(=O)[C@H]2[C@@H]1[C@@H](C(=O)OC)C(CCCCCCCCCCCC)=C[C@@H]2C(O)=O |c:12,40|

BDBM50184754

CCCCCCCCCCCCCCCCC(=O)C=CC(=O)CC(=O)OC |w:18.17|

BDBM50184752

CCCCCCCCCCCCCCCCC1=C(C(=O)OC(C)C)C(=O)[C@H]2[C@@H]1[C@@H](C(=O)OC(C)C)C(CCCCCCCCCCCCCCCC)=C[C@@H]2C(O)=O |c:16,52|

BDBM50184761

CCCCCCCCCCCCCCCCC1=C(C(=O)OC)C(=O)[C@H]2[C@@H]1[C@@H](C(=O)OC)C(CCCCCCCCCCCCCCCC)=C[C@@H]2C(=O)NCCc1ccccc1 |c:16,48|

BDBM50184757

CCCCCCCCCCCCCCCCC1=C(C(=O)OC)C(=O)[C@H]2[C@@H]1[C@@H](C(=O)OC)C(CCCCCCCCCCCCCCCC)=C[C@@H]2C(=O)OCC |c:16,48|

BDBM50184755

CCCCCCCCCCCCCCCCC1=C(C(=O)OC)C(=O)[C@H]2[C@@H]1[C@@H](C(=O)OC)C(CCCCCCCCCCCCCCCC)=C[C@@H]2C(O)=O |c:16,48|

BDBM50184756

CCCCCCCCCCCCCCCCC1=C(C(=O)OC)C(=O)[C@H]2[C@@H]1[C@H](C(=O)OC)C(CCCCCCCCCCCCCCCC)=C[C@@H]2C(=O)OCC |c:16,48|

BDBM50184753

CCCCCCCCCCCCCCCCC1=C[C@@H]([C@@H]2[C@H]([C@H]1C(=O)OC)[C@@]1(CCCCCCCCCCCCCCCC)C[C@@]1(C(=O)OC)C2=O)C(=O)OC |t:16|

BDBM50184750

CCCCCCCCCCCCCCCCCC(=O)C=C1[C@H](O)[C@H]([C@@H](N1CCc1ccccc1)c1ccccc1)C(=O)OC |w:19.18|

BDBM50184748

CCCCCCCCCCCCCCCCCC(=O)C=C1[C@H](O)[C@H]([C@H](CC)N1CCc1ccccc1)C(=O)OC |w:19.18|

BDBM50143526

CCCCCCCCCCCCCCCC[C@]1(O)C=CC(=O)[C@H]1C(=O)OC |c:18|

BDBM50184762

CCCCCCCCCCCCCCCC[C@]1(O)C=C[C@H](O)[C@H]1C(=O)OC |c:18|

BDBM50250356

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

BDBM33388

CCCCCCCCCCCCOc1cc(O)c2C(=O)OC3(C)CC(=O)C(=O)C=C3c2c1 |c:28|

BDBM50027121

CCCCCCCCN(CCCCCCCC)\N=C\c1cc2c3C(=O)C4(C)Oc3c(C)c(O)c2c(O)c1NC(=O)\C(C)=C/C=C/C(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C(C)C(OC)\C=C\O4 |c:44,t:46,68|

BDBM50027130

CCCCCCCCO\N=C\c1cc2c3C(=O)C4(C)Oc3c(C)c(O)c2c(O)c1NC(=O)\C(C)=C/C=C/C(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C(C)C(OC)\C=C\O4 |c:36,t:38,60|

BDBM50356643

CCCCCCCC\C=C/CCCCCCCC(=O)Oc1cccc2C(=O)C=CC(=O)c12 |c:27|

BDBM33387

CCCCCCOc1cc(O)c2C(=O)OC3(C)CC(=O)C(=O)C=C3c2c1 |c:22|

BDBM50027114

CCCCCN(CCCCC)\N=C\c1cc2c3C(=O)C4(C)Oc3c(C)c(O)c2c(O)c1NC(=O)\C(C)=C/C=C/C(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C(C)C(OC)\C=C\O4 |c:38,t:40,62|

BDBM50448689

CCCC[C@@H](O)\C=C(/C)\C=C\C=C/C(=O)N1CCCC1=O |r|

BDBM50448688

CCCC[C@@H](O)\C=C(/C)\C=C\C=C\C(=O)N1CCCC1=O |r|

BDBM50442246

CCCCn1cc(C=CC(=O)CC(=O)C(=O)OCC)c2ccccc12 |w:7.6|

BDBM50442229

CCCCn1cc(C=CC(=O)CC(=O)C(O)=O)c2ccccc12 |w:7.6|

BDBM50027115

CCCN(CCC)\N=C\c1cc2c3C(=O)C4(C)Oc3c(C)c(O)c2c(O)c1NC(=O)\C(C)=C/C=C/C(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C(C)C(OC)\C=C\O4 |c:34,t:36,58|

BDBM33386

CCCOc1cc(O)c2C(=O)OC3(C)CC(=O)C(=O)C=C3c2c1 |c:19|

BDBM50002662

CCCc1cc(=O)oc2c3[C@@H](O)[C@H](C)[C@@H](C)Oc3c3C=CC(C)(C)Oc3c12 |r,c:20|

BDBM50442247

CCCn1cc(C=CC(=O)CC(=O)C(=O)OCC)c2ccccc12 |w:6.5|

BDBM50442230

CCCn1cc(C=CC(=O)CC(=O)C(O)=O)c2ccccc12 |w:6.5|

BDBM50027118

CCN(CC)Cc1cc2c3C(=O)C4(C)Oc3c(C)c(O)c2c(O)c1NC(=O)\C(C)=C/C=C/C(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C(C)C(OC)\C=C\O4 |c:31,t:33,55|

BDBM50442211

CCOC(=O)C(=O)CC(=O)C=Cc1cc(c[nH]1)C(=O)c1ccc(F)cc1 |w:11.11|

BDBM50442209

CCOC(=O)C(=O)CC(=O)C=Cc1cc(c[nH]1)C(=O)c1ccc(cc1)C#N |w:11.11|

BDBM50442210

CCOC(=O)C(=O)CC(=O)C=Cc1cc(c[nH]1)C(=O)c1cccc(F)c1 |w:11.11|

BDBM50442212

CCOC(=O)C(=O)CC(=O)C=Cc1cc(c[nH]1)C(=O)c1ccccc1F |w:11.11|

BDBM50442207

CCOC(=O)C(=O)CC(=O)C=Cc1cc(cn1Cc1ccc(F)cc1)C(=O)c1ccccc1 |w:11.11|

BDBM50442255

CCOC(=O)C(=O)CC(=O)C=Cc1cc(cn1Cc1ccc(cc1)C#N)C(=O)c1ccccc1 |w:11.11|

BDBM50442208

CCOC(=O)C(=O)CC(=O)C=Cc1cc(cn1Cc1ccccc1)C(=O)c1ccccc1 |w:11.11|

BDBM50442239

CCOC(=O)C(=O)CC(=O)C=Cc1cn(-c2ccc(Cl)cc2)c2ccccc12 |w:11.11|

BDBM50442240

CCOC(=O)C(=O)CC(=O)C=Cc1cn(-c2ccc(O)cc2)c2ccccc12 |w:11.11|

BDBM50442232

CCOC(=O)C(=O)CC(=O)C=Cc1cn(CC(=O)N(C)C)c2ccccc12 |w:11.11|

BDBM50442231

CCOC(=O)C(=O)CC(=O)C=Cc1cn(CC(=O)N2CCOCC2)c2ccccc12 |w:11.11|

BDBM50442241

CCOC(=O)C(=O)CC(=O)C=Cc1cn(CC(C)=C)c2ccccc12 |w:11.11|

BDBM50442245

CCOC(=O)C(=O)CC(=O)C=Cc1cn(CCC(C)C)c2ccccc12 |w:11.11|

BDBM50442243

CCOC(=O)C(=O)CC(=O)C=Cc1cn(C\C=C\C)c2ccccc12 |w:11.11|

BDBM50442236

CCOC(=O)C(=O)CC(=O)C=Cc1cn(Cc2ccc(Cl)cc2)c2ccccc12 |w:11.11|

BDBM50442237

CCOC(=O)C(=O)CC(=O)C=Cc1cn(Cc2ccc(F)cc2)c2ccccc12 |w:11.11|

BDBM50442233

CCOC(=O)C(=O)CC(=O)C=Cc1cn(Cc2ccc(O)cc2)c2ccccc12 |w:11.11|

BDBM50442234

CCOC(=O)C(=O)CC(=O)C=Cc1cn(Cc2ccc(OC)cc2)c2ccccc12 |w:11.11|

BDBM50442235

CCOC(=O)C(=O)CC(=O)C=Cc1cn(Cc2ccc(cc2)C#N)c2ccccc12 |w:11.11|

BDBM50442238

CCOC(=O)C(=O)CC(=O)C=Cc1cn(Cc2ccccc2)c2ccccc12 |w:11.11|

BDBM50442244

CCOC(=O)C(=O)CC(=O)C=Cc1cn(\C=C\C)c2ccccc12 |w:11.11|

BDBM50218197

CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C |r,t:13|

BDBM50257635

CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(C)C |r,t:13|

BDBM50153109

CC[C@H](\C=C\[C@@H](C)[C@H]1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C)C(C)C |t:13|

BDBM50153108

CC[C@H](\C=C\[C@@H](C)[C@H]1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(O)CO)C(C)C |t:13|

BDBM50153113

CC[C@H](\C=C\[C@@H](C)[C@H]1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OCC(O)=O)C(C)C |t:13|

BDBM50153114

CC[C@H](\C=C\[C@@H](C)[C@H]1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OCCO)C(C)C |t:13|

BDBM50376364

CC[C@H](\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C |r,t:13|

BDBM104083

CCc1ccc(Sc2ccc(C=C3SC(S)=NC3=O)cc2[N+]([O-])=O)cc1 |w:11.10,c:15|

BDBM50442214

CN(C)C(=O)Cn1cc(C=CC(=O)CC(=O)C(O)=O)c2ccccc12 |w:9.8|

BDBM50181926

CN(C)C(=O)c1ccc(cc1)C(Oc1ccc(-c2nc3cc(ccc3n2C2CCCCC2)C(O)=O)c(F)c1)c1ccc(cc1)C(=O)N(C)C

BDBM50150371

COC(=O)N(CC(O)=O)C(=O)c1c(Cl)ccc2c(c(OC)ccc12)C(F)(F)F

BDBM50240866

COC1=CC(=O)C(=O)C(C[C@]2(C)[C@@H](C)CC[C@@]3(C)[C@H]2CCCC3=C)C1=O |r,t:2|

BDBM50242088

COC1=C[C@]2(CC=C)[C@H](C)[C@@H](c3ccc4OCOc4c3)[C@](O)([C@@H]2O)C1=O |r,t:2,TLB:23:22:10.8:3.24.2|

BDBM50242103

COC1=C[C@]2(CC=C)[C@H](C)[C@@H](c3ccc4OCOc4c3)[C@](OC)([C@@H]2O)C1=O |r,t:2,TLB:24:23:10.8:3.25.2|

BDBM50027110

COC1\C=C\OC2(C)Oc3c(C2=O)c2cc(C=O)c(NC(=O)\C(C)=C/C=C/C(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C)c(O)c2c(O)c3C |c:24,t:3,26|

BDBM50027127

COC1\C=C\OC2(C)Oc3c(C2=O)c2cc(CN4CCNCC4)c(NC(=O)\C(C)=C/C=C/C(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C)c(O)c2c(O)c3C |c:30,t:3,32|

BDBM50027117

COC1\C=C\OC2(C)Oc3c(C2=O)c2cc(O)c(NC(=O)\C(C)=C/C=C/C(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C)c(O)c2c(O)c3C |c:23,t:3,25|

BDBM50027128

COC1\C=C\OC2(C)Oc3c(C2=O)c2cc([CH-]\N=[NH+]\c4ccc(cc4[N+]([O-])=O)[N+]([O-])=O)c(NC(=O)\C(C)=C/C=C/C(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C)c(O)c2c(O)c3C |c:38,t:3,40|

BDBM50027125

COC1\C=C\OC2(C)Oc3c(C2=O)c2cc(\C=N\N4C(C)CN(Cc5ccc(cc5)C#N)CC4C)c(NC(=O)\C(C)=C/C=C/C(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C)c(O)c2c(O)c3C |c:43,t:3,45|

BDBM50027123

COC1\C=C\OC2(C)Oc3c(C2=O)c2cc(\C=N\N4C(C)CN(Cc5ccccc5)CC4C)c(NC(=O)\C(C)=C/C=C/C(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C)c(O)c2c(O)c3C |c:41,t:3,43|

BDBM50027116

COC1\C=C\OC2(C)Oc3c(C2=O)c2cc(\C=N\N4CCCC4)c(NC(=O)\C(C)=C/C=C/C(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C)c(O)c2c(O)c3C |c:30,t:3,32|

BDBM50027124

COC1\C=C\OC2(C)Oc3c(C2=O)c2cc(\C=N\N4CCCCCCCCCC4)c(NC(=O)\C(C)=C/C=C/C(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C)c(O)c2c(O)c3C |c:36,t:3,38|

BDBM50027126

COC1\C=C\OC2(C)Oc3c(C2=O)c2cc(\C=N\N4CCCCCCCCCCCC4)c(NC(=O)\C(C)=C/C=C/C(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C)c(O)c2c(O)c3C |c:38,t:3,40|

BDBM50027120

COC1\C=C\OC2(C)Oc3c(C2=O)c2cc(\C=N\N4CCCCCCCCCCCCCCC4)c(NC(=O)\C(C)=C/C=C/C(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C)c(O)c2c(O)c3C |c:41,t:3,43|

BDBM50027119

COC1\C=C\OC2(C)Oc3c(C2=O)c2cc(\C=N\N4CCN(C)CC4)c(NC(=O)\C(C)=C/C=C/C(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C)c(O)c2c(O)c3C |c:32,t:3,34|

BDBM50027129

COC1\C=C\OC2(C)Oc3c(C2=O)c2cc(\C=N\N4CCN(Cc5cccc(OC)c5)CC4)c(NC(=O)\C(C)=C/C=C/C(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C)c(O)c2c(O)c3C |c:41,t:3,43|

BDBM50027111

COC1\C=C\OC2(C)Oc3c(C2=O)c2cc(\C=N\N4CCN(N)CC4)c(NC(=O)\C(C)=C/C=C/C(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C)c(O)c2c(O)c3C |c:32,t:3,34|

BDBM50027109

COC1\C=C\OC2(C)Oc3c(C2=O)c2cc(\C=N\OC(c4ccccc4)c4ccccc4)c(NC(=O)\C(C)=C/C=C/C(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C)c(O)c2c(O)c3C |c:40,t:3,42|

BDBM50027113

COC1\C=C\OC2(C)Oc3c(C2=O)c2cc(\C=N\OCCCc4ccccc4)c(NC(=O)\C(C)=C/C=C/C(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C)c(O)c2c(O)c3C |c:35,t:3,37|

BDBM50027122

COC1\C=C\OC2(C)Oc3c(C2=O)c2ccc(NC(=O)\C(C)=C/C=C/C(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C)c(O)c2c(O)c3C |c:22,t:3,24|

BDBM50242105

CO[C@@H]1C[C@]2(CC=C)[C@H](C)[C@H](OC2=C(OC)C1=O)c1ccc2OCOc2c1 |r,t:13|

BDBM50242093

CO[C@@]12[C@H](O)[C@@](CC=C)(CC(=O)[C@H]1O)[C@@H](C)[C@@H]2c1ccc2OCOc2c1 |r,THB:4:3:16.14:9.12.10|

BDBM50242104

CO[C@@]12[C@H](O)[C@](CC=C)(CC(=O)C1=O)[C@H](C)[C@H]2c1ccc2OCOc2c1 |r,THB:4:3:16.14:9.12.10|

BDBM50242092

CO[C@H]1C[C@@]2(CC=C)[C@@H](C)[C@H](c3ccc4OCOc4c3)[C@](OC)([C@@H]2O)[C@@H]1O |r,TLB:24:23:10.8:3.25.2|

BDBM50250361

CO\N=C1\CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4C[C@@](C)(CC[C@]4(C)CC[C@@]32C)C(O)=O)C1(C)C |r,t:16|

BDBM50242106

COc1c2OCOc2cc(CC=C)c1OC

BDBM50242108

COc1c2OCOc2cc(\C=C\CO)c1OC

BDBM50251278

COc1cc(C)c(C(=O)O[C@@]2(C)[C@@H](O)CC3=C(COC(\C=C\CO)=C3)C2=O)c(O)c1 |r,c:23,t:15|

BDBM50251277

COc1cc(C)c(C(=O)O[C@H]2CC3=C(COC(\C=C\CO)=C3)C(=O)[C@@]2(C)O)c(O)c1 |r,c:20,t:12|

BDBM50615502

COc1cc(CCc2cccc(Oc3c(O)cccc3CCC3=CCC(O)C=C3)c2)cc(O)c1O |c:28,t:23|

BDBM33392

COc1cc(O)c2C(=O)OC3(C)C=CC(=O)C=C3c2c1 |c:12,16|

BDBM33384

COc1cc(O)c2C(=O)OC3(C)CC(=O)C(=O)C=C3c2c1 |c:17|

BDBM50375301

COc1cc(O)c2c(c1)c1C(C)CC(=O)c1oc2=O

BDBM33391

COc1cc(O)c2c(c1)c1cc(O)c(O)cc1oc2=O

BDBM33390

COc1cc(O)c2c(c1)c1cc(OCc3ccccc3)c(OCc3ccccc3)cc1oc2=O

BDBM50208245

COc1cc(O)c2c(c1)oc(C)c(CO)c2=O

BDBM50412092

COc1cc(O)c2c(c1)oc1c(O)cc(c(O)c1c2=O)-c1c(O)c([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)c2c1oc(cc2=O)-c1ccc(O)c(O)c1 |r,wU:24.26,26.29,31.34,wD:29.32,33.37,(-10.05,.93,;-10.05,-.61,;-8.72,-1.38,;-8.72,-2.93,;-7.38,-3.7,;-7.38,-5.24,;-6.05,-2.93,;-6.05,-1.38,;-7.39,-.61,;-4.72,-.6,;-3.38,-1.38,;-2.05,-.61,;-2.06,.93,;-.72,-1.38,;-.72,-2.92,;-2.05,-3.69,;-2.05,-5.23,;-3.38,-2.92,;-4.72,-3.7,;-4.72,-5.24,;.62,-3.69,;.61,-5.23,;-.72,-6,;1.94,-6,;1.94,-7.53,;.6,-8.3,;.6,-9.84,;-.74,-10.6,;-2.07,-9.83,;1.93,-10.61,;1.93,-12.15,;3.27,-9.84,;4.6,-10.62,;3.28,-8.3,;4.61,-7.53,;3.28,-5.23,;4.62,-5.99,;3.26,-3.68,;1.94,-2.92,;1.93,-1.39,;3.26,-.63,;4.58,-1.39,;4.58,-2.92,;5.91,-3.69,;3.26,.9,;4.59,1.67,;4.59,3.21,;3.26,3.98,;3.26,5.52,;1.92,3.21,;.58,3.97,;1.93,1.67,)|

BDBM50242090

COc1cc(OC)c(CC=C)c2OCOc12

BDBM50242107

COc1cc2OCOc2c(OC)c1CC=C

BDBM50242091

COc1cc2OCOc2c(OC)c1\C=C\CO

BDBM50375300

COc1cc2c(C(=O)OC22C(C)CC(=O)C2=O)c(O)c1

BDBM50615524

COc1cc2c(O)c(Cc3ccc4ccc(=O)oc4c3)c(=O)oc2cc1O

BDBM50241949

COc1cc2cc(Oc3ccc4ccc(=O)oc4c3)c(=O)oc2cc1O

BDBM50208251

COc1ccc(C)c2CC(C)OC(=O)c12 |w:9.9|

BDBM50442216

COc1ccc(Cn2cc(C=CC(=O)CC(=O)C(O)=O)c3ccccc23)cc1 |w:10.9|

BDBM50336503

COc1ccc(cc1OCc1ccccc1)C1C2C(=O)CC(C)(C)CC2=Nc2ccccc2N1C(C)=O |c:28|

BDBM50407498

COc1cccc(Nc2nc(NS(=O)(=O)c3cc(C)c(C)cc3C)n[nH]2)c1

BDBM50208247

COc1cccc2C(O)CCC(=O)c12

BDBM50208248

COc1cccc2C(O)CCC(O)c12 |w:11.11,7.7|

BDBM50208250

COc1cccc2CC(C)OC(=O)c12 |w:8.8|

BDBM50153117

C[C@@H](CCC(O)=O)[C@H]1CCC2C3CC[C@]4(C)CC(O)CC[C@]4(C)C3CC[C@]12C

BDBM50250305

C[C@@H](CC[C@@H]1[C@H]2CC[C@H](OC(=O)\C=C\c3ccc(O)cc3)C(C)(C)[C@@H]2CC=C1C)CC(O)=O |r,c:28|

BDBM50241570

C[C@@H](CC\C=C(/C)C(O)=O)[C@]1(C)CC[C@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C |r,t:16|

BDBM50260393

C[C@@H](CC\C=C(/C)[C@H]1CC[C@@H](CC1)C(O)=O)C(O)=O |r,wU:10.13,wD:7.6,1.0,(12.74,2.11,;12.74,.57,;11.4,-.19,;10.07,.58,;8.73,-.19,;7.4,.59,;7.41,2.13,;6.06,-.18,;4.74,.6,;3.41,-.18,;3.41,-1.72,;4.74,-2.48,;6.06,-1.72,;2.07,-2.49,;.74,-1.73,;2.07,-4.03,;14.07,-.2,;14.06,-1.74,;15.4,.56,)|

BDBM50259781

C[C@@H]1CC[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)C(O)=O |r,c:9|

BDBM50148911

C[C@@H]1CC[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]2[C@H]1C)C(O)=O |r,c:9|

BDBM50242135

C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)\C=C\c6ccc(O)cc6)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O |r,c:9|

BDBM50222205

C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O |r,c:9|

BDBM50242129

C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O |r,c:9|

BDBM50292362

C[C@@H]1Oc2c3C=CC(C)(C)Oc3c3c(cc(=O)oc3c2[C@@H](O)[C@H]1C)-c1ccccc1 |r,c:5|

BDBM50242089

C[C@@H]1[C@@H](c2ccc3OCOc3c2)[C@]2(O)[C@H](O)[C@]1(CC=C)CC(=O)C2=O |r,TLB:15:14:2.1:20.23.21|

BDBM50090910

C[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H]1CC[C@H]1C[C@@H]3C[C@]21CC[C@]3(O)CO |r|

BDBM50261285

C[C@@]1(Cl)[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]1n1ccc(=O)[nH]c1=O |r|

BDBM50237537

C[C@@]1(F)[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]1c1cnc2c(N)ncnn12 |r|

BDBM50333129

C[C@@]1(F)[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]1n1ccc(=O)[nH]c1=O |r|

BDBM50021053

C[C@@]1(O)[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]1c1ccc2c(N)ncnn12 |r|

BDBM50260079

C[C@]12CC[C@H]([C@@H]1[C@H]1C[C@@H](O)[C@@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2)C(=C)COC(=O)c1ccc(O)cc1 |r|

BDBM50250360

C[C@]12CC[C@](C)(C[C@H]1C1=CC[C@@H]3[C@@]4(C)CC\C(=N\OCc5ccccc5)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2)C(O)=O |r,t:9|

BDBM50448691

C\C(\C=C\CCC(=O)N1CCCC1=O)=C/C1CCCCO1

BDBM50379293

C\C=C\C1=CC2=CC(=O)[C@@](C)(O)[C@@H](OC(=O)c3c(C)cc(O)cc3O)[C@@H]2CO1 |r,t:3,5|

BDBM50379292

C\C=C\C1=CC2=CC(=O)[C@@](C)(OC(=O)c3c(C)cc(O)cc3O)[C@@H](O)[C@@H]2CO1 |r,t:3,5|

BDBM50442226

C\C=C\Cn1cc(C=CC(=O)CC(=O)C(O)=O)c2ccccc12 |w:7.6|

BDBM50442227

C\C=C\n1cc(C=CC(=O)CC(=O)C(O)=O)c2ccccc12 |w:6.5|

BDBM50407500

Cc1cc(C)c(cc1C)S(=O)(=O)Nc1n[nH]c(Nc2ccc3ccccc3c2)n1

BDBM50407497

Cc1cc(C)c(cc1C)S(=O)(=O)Nc1n[nH]c(Nc2ccccc2)n1

BDBM104090

Cc1cc(C)cc(Sc2ccc(C=C3SC(S)=NC3=O)cc2[N+]([O-])=O)c1 |w:12.11,c:16|

BDBM50379294

Cc1cc(O)cc(O)c1C(=O)O[C@H]1[C@@H]2COC(\C=C\CO)=CC2=CC(=O)[C@@]1(C)O |r,c:21,24|

BDBM50407499

Cc1cc(SC(O)=O)c(cc1C)S(=O)(=O)Nc1n[nH]c(Nc2ccccc2)n1

BDBM50187225

Cc1cc(c(N)cc1Cl)S(=O)(=O)N1CCC[C@H]1C(O)=O

BDBM50407496

Cc1ccc(Nc2nc(NS(=O)(=O)c3cc(C)c(C)cc3C)n[nH]2)cc1

BDBM104069

Cc1ccc(Sc2ccc(C=C3SC(O)=NC3=O)cc2[N+]([O-])=O)cc1 |w:10.9,c:14|

BDBM104097

Cc1ccc(Sc2ccc(C=C3SC(S)=NC3=O)c(Sc3ccc(C)cc3)c2)cc1 |w:10.9,c:14|

BDBM104077

Cc1ccc(Sc2ccc(C=C3SC(S)=NC3=O)cc2)cc1 |w:10.9,c:14|

BDBM104080

Cc1ccc(Sc2ccc(C=C3SC(S)=NC3=O)cc2Br)cc1 |w:10.9,c:14|

BDBM104093

Cc1ccc(Sc2ccc(C=C3SC(S)=NC3=O)cc2Br)cc1F |w:10.9,c:14|

BDBM104081

Cc1ccc(Sc2ccc(C=C3SC(S)=NC3=O)cc2C(F)(F)F)cc1 |w:10.9,c:14|

BDBM104079

Cc1ccc(Sc2ccc(C=C3SC(S)=NC3=O)cc2Cl)cc1 |w:10.9,c:14|

BDBM104078

Cc1ccc(Sc2ccc(C=C3SC(S)=NC3=O)cc2F)cc1 |w:10.9,c:14|

BDBM104067

Cc1ccc(Sc2ccc(C=C3SC(S)=NC3=O)cc2[N+]([O-])=O)cc1 |w:10.9,c:14|

BDBM104086

Cc1ccc(Sc2ccc(C=C3SC(S)=NC3=O)cc2[N+]([O-])=O)cc1F |w:10.9,c:14|

BDBM104074

Cc1ccc(Sc2ccc(cc2[N+]([O-])=O)C(=C)c2sc(S)nc2O)cc1

BDBM104098

Cc1ccc(Sc2sc(C=C3SC(S)=NC3=O)cc2Br)cc1 |w:9.8,c:13|

BDBM50181929

Cc1ccc(cc1)C(Oc1ccc(cc1)-c1nc2cc(ccc2n1C1CCCCC1)C(O)=O)c1ccc(C)cc1

BDBM104088

Cc1cccc(Sc2ccc(C=C3SC(S)=NC3=O)cc2[N+]([O-])=O)c1 |w:11.10,c:15|

BDBM104094

Cc1ccccc1Sc1ccc(C=C2SC(S)=NC2=O)cc1 |w:12.12,c:17|

BDBM104096

Cc1ccccc1Sc1ccc(C=C2SC(S)=NC2=O)cc1C(F)(F)F |w:12.12,c:17|

BDBM104095

Cc1ccccc1Sc1ccc(C=C2SC(S)=NC2=O)cc1F |w:12.12,c:17|

BDBM104089

Cc1ccccc1Sc1ccc(C=C2SC(S)=NC2=O)cc1[N+]([O-])=O |w:12.12,c:17|

BDBM50408426

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

BDBM50408427

Cc1cn([C@@H]2C[C@@H](F)[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)c(=O)nc1N |r|

BDBM50205415

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

BDBM50020676

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

BDBM50002692

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

BDBM50370476

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

BDBM50164648

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

BDBM50253141

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

BDBM50408425

Nc1ccn([C@@H]2C[C@@H](F)[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)c(=O)n1 |r|

BDBM50241922

Nc1ccn([C@H]2CC[C@@H](COP([O-])(=O)OP(O)(=O)OP(O)(O)=O)O2)c(=O)n1 |r|

BDBM50253100

Nc1ccn([C@H]2C[C@H](O)[C@@H](COP([O-])(=O)CP([O-])(=O)OP([O-])([O-])=O)O2)c(=O)n1 |r|

BDBM50335556

Nc1nc(NC2CC2)c2ncn(CCOCP(O)(=O)OP(O)(=O)OP(O)(O)=O)c2n1

BDBM50335555

Nc1nc(NC2CC2)c2ncn(CCOCP(O)(=O)OP(O)(O)=O)c2n1

BDBM50335554

Nc1nc2n(CCOCP(O)(=O)OP(O)(=O)OP(O)(O)=O)cnc2c(=O)[nH]1

BDBM50335553

Nc1nc2n(CCOCP(O)(=O)OP(O)(O)=O)cnc2c(=O)[nH]1

BDBM50253142

Nc1nc2n(cnc2c(=O)[nH]1)[C@H]1C[C@H](O)[C@@H](COP([O-])(=O)CP([O-])(=O)OP([O-])([O-])=O)O1 |r|

BDBM50164644

Nc1ncnc2n(cnc12)[C@H]1CC[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O1 |r|

BDBM50377969

Nc1ncnc2n(cnc12)[C@H]1C[C@H](O)[C@@H](CO[P@](O)(=O)C[P@@](O)(=O)OP(O)(O)=O)O1 |r|

BDBM50236025

Nc1ncnn2c(ccc12)[C@@]1(O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O)C#N |r|

BDBM50442254

OC(=O)C(=O)CC(=O)C=Cc1cc(c[nH]1)C(=O)c1ccc(F)cc1 |w:9.9|

BDBM50442252

OC(=O)C(=O)CC(=O)C=Cc1cc(c[nH]1)C(=O)c1ccc(cc1)C#N |w:9.9|

BDBM50442253

OC(=O)C(=O)CC(=O)C=Cc1cc(c[nH]1)C(=O)c1cccc(F)c1 |w:9.9|

BDBM50442248

OC(=O)C(=O)CC(=O)C=Cc1cc(c[nH]1)C(=O)c1ccccc1F |w:9.9|

BDBM50442250

OC(=O)C(=O)CC(=O)C=Cc1cc(cn1Cc1ccc(F)cc1)C(=O)c1ccccc1 |w:9.9|

BDBM50442249

OC(=O)C(=O)CC(=O)C=Cc1cc(cn1Cc1ccc(cc1)C#N)C(=O)c1ccccc1 |w:9.9|

BDBM50442251

OC(=O)C(=O)CC(=O)C=Cc1cc(cn1Cc1ccccc1)C(=O)c1ccccc1 |w:9.9|

BDBM50442221

OC(=O)C(=O)CC(=O)C=Cc1cn(-c2ccc(Cl)cc2)c2ccccc12 |w:9.9|

BDBM50442222

OC(=O)C(=O)CC(=O)C=Cc1cn(-c2ccc(O)cc2)c2ccccc12 |w:9.9|

BDBM50442223

OC(=O)C(=O)CC(=O)C=Cc1cn(-c2ccccc2)c2ccccc12 |w:9.9|

BDBM50442213

OC(=O)C(=O)CC(=O)C=Cc1cn(CC(=O)N2CCOCC2)c2ccccc12 |w:9.9|

BDBM50442218

OC(=O)C(=O)CC(=O)C=Cc1cn(Cc2ccc(Cl)cc2)c2ccccc12 |w:9.9|

BDBM50442219

OC(=O)C(=O)CC(=O)C=Cc1cn(Cc2ccc(F)cc2)c2ccccc12 |w:9.9|

BDBM50442215

OC(=O)C(=O)CC(=O)C=Cc1cn(Cc2ccc(O)cc2)c2ccccc12 |w:9.9|

BDBM50442217

OC(=O)C(=O)CC(=O)C=Cc1cn(Cc2ccc(cc2)C#N)c2ccccc12 |w:9.9|

BDBM50442220

OC(=O)C(=O)CC(=O)C=Cc1cn(Cc2ccccc2)c2ccccc12 |w:9.9|

BDBM50293303

OC(=O)c1cc(O)c(O)c(OC(=O)c2ccc(O)c(O)c2O)c1

BDBM38549

OC(=O)c1cc2ccccc2c(Cc2c(O)c(cc3ccccc23)C(O)=O)c1O

BDBM50300195

OC(=O)c1ccc(F)cc1NS(=O)(=O)c1cccc(c1)-c1cnn(Cc2ccc3ccccc3c2)c1

BDBM50300194

OC(=O)c1ccc(F)cc1NS(=O)(=O)c1cccc(c1)-c1cnn(Cc2ccccc2)c1

BDBM50181932

OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccc(OC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1

BDBM50181933

OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccc(OC(c2ccc(F)cc2)c2ccc(F)cc2)cc1

BDBM50181927

OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccc(OC(c2ccc(F)cc2)c2ccc(F)cc2)cc1F

BDBM50181922

OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccc(OC(c2cccc(F)c2)c2cccc(F)c2)cc1

BDBM50181923

OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccc(OC(c2ccccc2)c2ccccc2)cc1

BDBM50181941

OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccc(OC(c2ccccc2)c2ccccc2)cc1F

BDBM50181938

OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccc(OC(c2ccccc2)c2cccnc2)cc1F

BDBM50181935

OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccc(OC(c2cccnc2)c2cccnc2)cc1F

BDBM50191511

OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccc(OCc2cc(ccc2-c2ccc(Cl)cc2)N2CCCC2=O)cc1F

BDBM50300193

OC(=O)c1ccccc1NS(=O)(=O)c1cccc(c1)-c1cnn(Cc2ccccc2)c1

BDBM50615507

OC1Cc2cccc(Oc3c(O)cccc3CCc3ccc(Oc4cc1cc(O)c4O)cc3)c2

BDBM50408428

OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@@H]1O[C@@H](C[C@H]1F)n1ccc(=O)[nH]c1=O |r|

BDBM23417

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

BDBM50239939

O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@@H](n2ccc(=O)[nH]c2=O)[C@@]1(F)Cl |r|

BDBM173561

Oc1c(C(c2ccc(NC(=S)Nc3ccc(cc3)[N+]([O-])=O)cc2)c2c(O)c3ccccc3oc2=O)c(=O)oc2ccccc12

BDBM50181559

Oc1c(C2=Nc3ccccc3S(=O)(=O)N2)c(=O)n(CCC2CC2)c2ccc(F)cc12 |t:3|

BDBM50203241

Oc1cc(O)cc(CCCCCCCCCCCCCCc2cc(O)cc(O)c2)c1

BDBM50241610

Oc1cc(O)cc(CCCCCCCCC\C=C/CCCc2cc(O)cc(O)c2)c1

BDBM50241611

Oc1cc(O)cc(CCCCCC\C=C/CCCCCCc2cc(O)cc(O)c2)c1

BDBM50615500

Oc1cc2CCc3cccc(Oc4c(O)cccc4CCc4ccc(Oc(c2)c1O)cc4)c3

BDBM50269808

Oc1cc2cc(Oc3ccc4ccc(=O)oc4c3)c(=O)oc2cc1O

BDBM50615525

Oc1cc2oc(=O)c(Cc3ccc4ccc(=O)oc4c3)c(O)c2cc1O

BDBM50250427

Oc1ccc(cc1)[C@@H]1C[C@H](c2ccc(O)cc2O1)c1c(O)cc(O)c(C(=O)CCCCCCCCc2ccccc2)c1O |r|

BDBM50615505

Oc1ccc-2c(CCc3ccc(Oc4cc(CCc5ccc-2c(O)c5)cc(c4O)-c2cc-4c(CCc5ccc(Oc6cc(CCc7ccc-4c(O)c7)ccc6O)cc5)cc2O)cc3)c1

BDBM50615506

Oc1ccc-2c(CCc3ccc(Oc4cc(CCc5ccc-2c(O)c5)cc(c4O)-c2cc4CCc5ccc(c(O)c5)-c5ccc(O)cc5CCc5ccc(Oc(c4)c2O)cc5)cc3)c1

BDBM50615499

Oc1ccc2CCc3ccc(Oc4cc(CCc5cccc(Oc2c1O)c5)cc(O)c4O)cc3

BDBM50615523

Oc1ccc2cc(Cc3ccc4ccc(=O)oc4c3)c(=O)oc2c1

BDBM50237597

Oc1ccc2cc(Oc3ccc4ccc(=O)oc4c3)c(=O)oc2c1

BDBM50615508

Oc1cccc(CCc2ccc(Oc3cc(CCc4cccc(O)c4)cc(O)c3O)cc2)c1

BDBM50241923

[#6]-[#6](-[#6])-[#6]-[#6](=O)-[#6]-1-[#6](=O)-[#8]-[#6]2=[#6](-[#6](-[#6]-[#6](-[#8])=O)-c3ccccc3)C([#6])([#6])[#6](-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]C2([#6]\[#6]=[#6](\[#6])-[#6])[#6]-1=O |c:10|

BDBM50241924

[#6]-[#6]-[#6](-[#6])-[#6](=O)-[#6]-1-[#6](=O)-[#8]-[#6]2=[#6](-[#6](-[#6]-[#6](-[#8])=O)-c3ccccc3)C([#6])([#6])[#6](-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]C2([#6]\[#6]=[#6](\[#6])-[#6])[#6]-1=O |c:10|

BDBM50241930

[#6]-[#6]-[#6]-[#6](-[#6]-[#6](-[#8])=O)-[#6]1=[#6]2-[#8]-[#6](=O)-[#6](-[#6](=O)-[#6](-[#6])-[#6]-[#6])-[#6](=O)C2([#6]\[#6]=[#6](\[#6])-[#6])[#6]-[#6](-[#6]\[#6]=[#6](\[#6])-[#6])C1([#6])[#6] |c:8|

BDBM50241929

[#6]-[#6]-[#6]-[#6](-[#6]-[#6](-[#8])=O)-[#6]1=[#6]2-[#8]-[#6](=O)-[#6](-[#6](=O)-[#6]-[#6](-[#6])-[#6])-[#6](=O)C2([#6]\[#6]=[#6](\[#6])-[#6])[#6]-[#6](-[#6]\[#6]=[#6](\[#6])-[#6])C1([#6])[#6] |c:8|

BDBM50442242

[#6]-[#6]-[#8]-[#6](=O)-[#6](=O)-[#6]-[#6](=O)-[#6]=[#6]-c1cn(\[#6]=[#6](\[#6])-[#6])c2ccccc12 |w:11.11|

BDBM50027112

[#6]-[#8]-[#6]-1\[#6]=[#6]\[#8]C2([#6])[#8]-c3c(-[#6]2=O)c2cc(-[#6]-[#7]\[#7]=[#6]-4\[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-4)c(-[#7]-[#6](=O)-[#6](-[#6])=[#6]-[#6]=[#6]-[#6](-[#6])-[#6](-[#8])-[#6](-[#6])-[#6](-[#8])-[#6](-[#6])-[#6](-[#8]-[#6](-[#6])=O)-[#6]-1-[#6])c(-[#8])c2c(-[#8])c3-[#6] |w:40.42,42.44,t:3|

BDBM50442225

[#6]\[#6](-[#6])=[#6]\n1cc(-[#6]=[#6]-[#6](=O)-[#6]-[#6](=O)-[#6](-[#8])=O)c2ccccc12 |w:7.6|

BDBM50109030

[H][C@@](C)(CCC(O)=O)[C@@]1([H])CC[C@@]2([H])[C@]3([H])CCC4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C

BDBM50109031

[H][C@@](C)(CCC(O)=O)[C@@]1([H])CC[C@@]2([H])[C@]3([H])CCC4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)CCNC(=O)CCCCC1SCC2NC(=O)NC12

BDBM50109032

[H][C@@](C)(CCC(O)=O)[C@@]1([H])CC[C@@]2([H])[C@]3([H])CCC4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)CCNC(=O)CCCCCNC(=O)CCCCC1SCC2NC(=O)NC12

BDBM50109029

[H][C@@](C)(CCC(O)=O)[C@@]1([H])CC[C@@]2([H])[C@]3([H])CCC4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)CCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCC1SCC2NC(=O)NC12

BDBM20192

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C |t:9|

BDBM50020659

[H][C@@]1(O[C@]1(C)[C@@]1([H])[C@@H](\C=C\C=C\C=C\C(O)=O)[C@]2([H])CC=C(C)C[C@@]2([H])C=C1C)[C@H](C)CC |r,c:28,t:21|

BDBM50020662

[H][C@@]12CC(C)=CC[C@@]1([H])[C@]1(O)[C@H](O)[C@H](O[C@]([H])([C@H](C)CC)[C@@](C)(O)[C@]1([H])C(C)=C2)\C=C\C=C\C(O)=O |r,c:4,29|

BDBM50020660

[H][C@@]12CC(C)=CC[C@@]1([H])[C@]1(O)[C@H](O)[C@H](O[C@]3([H])[C@H](C)CCO[C@@]3(C)[C@]1([H])C(C)=C2)\C=C\C=C\C(O)=O |r,c:4,30|

BDBM50020664

[H][C@@]12CC(C)=CC[C@@]1([H])[C@]1([H])[C@H](O)[C@H](O[C@]([H])([C@H](C)CC)C(=C)[C@]1(O)C(C)=C2)\C=C\C=C\C(O)=O |r,c:4,28|

BDBM50020663

[H][C@@]12CC(C)=CC[C@@]1([H])[C@]1([H])[C@H](O)[C@H](O[C@]([H])([C@H](C)CC)C(=C)[C@]1([H])C(C)=C2)\C=C\C=C\C(O)=O |r,c:4,28|

BDBM50020661

[H][C@@]12CC(C)=CC[C@@]1([H])[C@]1([H])[C@H](O)[C@H](O[C@]3([H])[C@H](C)CCO[C@@]3(C)[C@]1([H])C(C)=C2)\C=C\C=C\C(O)=O |r,c:4,30|

BDBM50268397

[H][C@@]12C[C@@]1(Cn1c(c(C3CCCCC3)c3ccc(cc13)C(=O)NS(=O)(=O)C1(C)CC1)-c1ccc(F)cc21)C(=O)N1C2CCC1CN(C)C2 |r,TLB:37:39:47.45.44:41.42,THB:46:45:39:41.42|

BDBM23208

[H][C@]12[C@@H](CC[C@@]1(CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O)C(C)=C

BDBM104092

[O-][N+](=O)c1cc(C=C2SC(S)=NC2=O)ccc1SC1CCCC1 |w:6.5,c:10|

BDBM104068

[O-][N+](=O)c1cc(C=C2SC(S)=NC2=O)ccc1SC1CCCCC1 |w:6.5,c:10|

BDBM104087

[O-][N+](=O)c1cc(C=C2SC(S)=NC2=O)ccc1Sc1c(F)c(F)c(c(F)c1F)C(F)(F)F |w:6.5,c:10|

BDBM104085

[O-][N+](=O)c1cc(C=C2SC(S)=NC2=O)ccc1Sc1ccc(OC(F)(F)F)cc1 |w:6.5,c:10|

BDBM104084

[O-][N+](=O)c1cc(C=C2SC(S)=NC2=O)ccc1Sc1ccc(cc1)C(F)(F)F |w:6.5,c:10|

BDBM104091

[O-][N+](=O)c1cc(C=C2SC(S)=NC2=O)ccc1Sc1ccc2ccccc2c1 |w:6.5,c:10|