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406 SMILES Strings for Lysosomal alpha-glucosidase

Compound NameSMILES String
BDBM4375 OC(=O)\C=C\c1ccc(O)c(O)c1
BDBM50285809 CO[C@H]1O[C@@H](CNC2=N[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@H]1O |r,t:7|
BDBM50285807 OC[C@@H]1N=C(NCc2ccccc2)[C@@H](O)[C@@H](O)[C@@H]1O |r,t:3|
BDBM7462 Oc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1O
BDBM7459 Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1
BDBM18351 OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O
BDBM18353 CN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
BDBM18354 CCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
BDBM18355 CCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
BDBM18356 CCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
BDBM18357 CCCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
BDBM18358 CCCCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
BDBM18359 C[C@H]1N[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
BDBM18361 CCCC[C@H]1N[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
BDBM18362 CCCCCC[C@H]1N[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
BDBM18363 CCCCCCCC[C@H]1N[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
BDBM18364 CCCCCCCCC[C@H]1N[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
BDBM23406 C[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O[C@@H]3[C@@H](CO)OC(O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1N[C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O |t:37|
BDBM23926 Oc1ccc(\C=C\c2cc(O)cc(O)c2)cc1
BDBM60919 OC[C@H]1O[C@@H](Oc2cc(O)cc(\C=C\c3ccc(O)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O
BDBM111013 Oc1ccc(Br)cc1C=O
BDBM50009001 Oc1cc2oc(cc(=O)c2c(O)c1O)-c1ccccc1
BDBM50031481 OC[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O |r|
BDBM50065253 CCCCN1[C@H](CO)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1CO
BDBM50065252 CN1[C@H](CO)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1CO |r|
BDBM50037814 OCC1NC(CO)C(O)C1O
BDBM50065255 OCC1NC(CO)[C@@H](O)C(O)C1O
BDBM50070029 OCC1OC(=NOC(=O)Nc2ccccc2)C(O)C(O)C1O |w:5.5|
BDBM50076963 CN1CC(O)C(O)C(O)C1CO
BDBM50219337 OC[C@@H](OS([O-])(=O)=O)[C@@H](O)C[S@@+]1C[C@@H](O)[C@H](O)[C@@H]1CO
BDBM50104412 CC1CNC[C@H](O)C1O
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|
BDBM50163440 OC[C@H]1NC[C@H](O)[C@@H](O)[C@H]1O |r|
BDBM50163445 OC[C@@H]1NC[C@H](O)[C@@H](O)[C@H]1O
BDBM50182798 O[C@H]1CNC[C@@H](O)[C@@H]1O |r|
BDBM50208826 COc1cc(ccc1O)[C@@H]1OC[C@@H]2[C@H]1CO[C@H]2c1ccc(O)c(OC)c1 |r|
BDBM50234564 OC[C@H]1N[C@@H](CO)[C@@H](O)[C@@H]1O |r|
BDBM50234571 OCC[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O |r|
BDBM50240725 OC[C@H]1NCC[C@@H](O)[C@@H]1O |r|
BDBM50250383 Oc1ccc(cc1)-c1oc2cc(O)cc3c(O)c(-c4ccc(O)cc4)c4c(O)cc(O)cc4c1c23
BDBM50242271 OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO |r|
BDBM50242818 OC1CC(O)C(O)C(O)CS(=O)CC(O)C(O)C(O)C(O)C1
BDBM50242067 OCC(O)CCCCC(O)CC(O)CCC[C@@H](O)[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O |r|
BDBM50263044 OCC(CO)N[C@H]1C[C@](O)(CO)[C@@H](O)[C@H](O)[C@H]1O |r|
BDBM50259956 OC[C@H]1N[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O |r|
BDBM50263042 OC[C@H]1N[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O |r|
BDBM50242069 CC(O)CC(O)[C@@H]1CC[C@@H]2[C@H](O)[C@H](O)[C@@H](CO)N12 |r|
BDBM50242071 OCC(O)[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O |r|
BDBM50279406 OC[C@H](O)[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O |r|
BDBM50283598 NC1C(O)C(O)C(O)C1(O)CO
BDBM50283599 OCC1(O)C(O)C(O)C2(CO)OCC(Nc3ccccc3)=NC12 |c:21|
BDBM50283600 NC1C(O)C(O)C(O)C1O
BDBM50283601 OC1C(O)C2OC(Nc3ccccc3)=NC2C1O |c:14|
BDBM50283602 OCC12OC(Nc3ccccc3)=NC1C(O)C(O)C2O |c:12|
BDBM50283603 OCC1C(O)C(O)C2OC(Nc3ccccc3)=NC12 |c:17|
BDBM50283604 OCC1(O)C(O)C(O)C2N=C(Nc3ccccc3)OC12 |t:9|
BDBM50294475 COc1ccc(C=CC(=O)C[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1OC |r,w:7.7|
BDBM50291029 C[Si](C)(C)\C=C\CN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
BDBM50291031 C[Si](C)(C)CCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
BDBM50292389 OC[C@H]1NCC[C@H](O)[C@@H]1O |r|
BDBM50291027 C[Si](C)(C)c1ccc(CN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)cc1
BDBM50288852 COC1CNCC(O)C1O
BDBM50288853 CCCCN1CC(C)C(O)C(O)C1
BDBM50288854 OC1CNCC(=C)C1O
BDBM50288855 CCCCN1CC(O)C(O)C(O)C1
BDBM50285806 OCC1CCC(NCc2ccccc2)=[NH+]1 |c:14|
BDBM50285808 C(NC1=[NH+]CCCC1)c1ccccc1 |t:2|
BDBM50287006 O[C@H]1CNC[C@H](O)[C@@H](O)[C@@H]1O
BDBM50285810 OCC1CCCC(NCc2ccccc2)=[NH+]1 |c:15|
BDBM50311537 O[C@@H]1CN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2[C@@H]1O |r|
BDBM50311538 O[C@@H]1CN2[C@H]([C@@H]1O)[C@H](O)[C@H](O)C[C@H]2O |r|
BDBM50299750 N[C@@H]1[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]12 |r|
BDBM50299751 CCCCN[C@@H]1[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]12 |r|
BDBM50299752 OC[C@H]1O[C@@H]2[C@@H](NCCCCCOCC34CC5CC(CC(C5)C3)C4)[C@@H]2[C@@H](O)[C@@H]1O |r,THB:22:14:17:21.20.19,22:20:14.15.23:17,19:18:15:21.20.22,19:20:15:23.17.18,13:14:17:21.20.19|
BDBM50299753 CCCC(=O)N[C@@H]1[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]12 |r|
BDBM50299754 OC[C@H]1O[C@@H]2[C@@H](NC(=O)CCCCOCC34CC5CC(CC(C5)C3)C4)[C@@H]2[C@@H](O)[C@@H]1O |r,THB:23:15:18:22.21.20,23:21:15.16.24:18,20:19:16:22.21.23,20:21:16:24.18.19,14:15:18:22.21.20|
BDBM50299749 OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCC12CC3CC(CC(C3)C1)C2 |r,TLB:21:22:19.20.25:26,THB:21:20:26:27.22.23,23:22:19:25.24.26,23:24:19:27.21.22|
BDBM50316179 OC[C@H](O)[C@@H](O)[C@@H](O)[C@H](OS([O-])(=O)=O)[C@H](O)C[S+]1C[C@@H](O)[C@H](O)[C@H]1CO |r|
BDBM50327501 OC[C@H](O)[C@@H](O)[C@H](OS([O-])(=O)=O)[C@H](O)C[S@@+]1C[C@@H](O)[C@H](O)[C@H]1CO |r|
BDBM50327502 OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C[S@@+]1C[C@@H](O)[C@H](O)[C@H]1CO |r|
BDBM50327503 OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)C[S@@+]1C[C@@H](O)[C@H](O)[C@H]1CO |r|
BDBM50312530 CCCCN1C[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1CO |r|
BDBM50312531 OC[C@H]1[C@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCC12CC3CC(CC(C3)C1)C2 |r,TLB:21:22:20.25.19:26,THB:21:20:22.23.27:26,23:22:19:25.24.26,23:24:21.22.27:19|
BDBM50312525 OC[C@@H]1NC[C@H](O)[C@@H](O)[C@@H]1O |r|
BDBM50312526 CCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@@H]1CO |r|
BDBM50312527 OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCC12CC3CC(CC(C3)C1)C2 |r,TLB:21:22:20.25.19:26,THB:21:20:22.23.27:26,23:22:19:25.24.26,23:24:21.22.27:19|
BDBM50312528 CCCCN1C[C@H](O)[C@@H](O)[C@@H](O)[C@H]1CO |r|
BDBM50312529 OC[C@@H]1[C@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCC12CC3CC(CC(C3)C1)C2 |r,TLB:21:22:20.25.19:26,THB:21:20:22.23.27:26,23:22:19:25.24.26,23:24:21.22.27:19|
BDBM50338669 OC[C@H]([O-])[C@H](O)C[S@@+]1C[C@@H](O)[C@H](O)[C@H]1CO |r|
BDBM50338671 OC[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)C[S@@+]1C[C@@H](O)[C@H](O)[C@H]1CO |r|
BDBM50338672 OC[C@@H]1[C@@H](O)[C@H](O)C[S@+]1C[C@@H](O)COS([O-])(=O)=O |r|
BDBM50338673 OC[C@H](O)C[S@@+]1C[C@@H](O)[C@H](O)[C@H]1CO |r|
BDBM50338674 OC[C@@H]1[C@@H](O)[C@H](O)C[S@+]1C[C@H](O)COS([O-])(=O)=O |r|
BDBM50338675 OC[C@@H](O)C[S@@+]1C[C@@H](O)[C@H](O)[C@H]1CO |r|
BDBM50338676 OC[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)C[S@@+]1C[C@@H](O)[C@H](O)[C@H]1CO |r|
BDBM50335393 CCCCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@@H]1CO |r|
BDBM50335394 CCCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@@H]1CO |r|
BDBM50335395 CCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@@H]1CO |r|
BDBM50335396 CCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@@H]1CO |r|
BDBM50335397 CCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@@H]1CO |r|
BDBM50335398 CCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO |r|
BDBM50341972 OC[C@@H](O)[C@H](O)[C@H](O)[C@@H](OS([O-])(=O)=O)[C@H](O)C[S+]1C[C@@H](O)[C@H](O)[C@H]1CO |r|
BDBM50341973 OC[C@H](O)[C@@H](O)[C@H](O)[C@@H](OS([O-])(=O)=O)[C@H](O)C[S+]1C[C@@H](O)[C@H](O)[C@H]1CO |r|
BDBM50341974 OC[C@H](O)[C@H](O)[C@H](O)[C@@H](OS([O-])(=O)=O)[C@H](O)C[S+]1C[C@@H](O)[C@H](O)[C@H]1CO |r|
BDBM50341975 OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](OS([O-])(=O)=O)[C@H](O)C[S+]1C[C@@H](O)[C@H](O)[C@H]1CO |r|
BDBM50335399 CCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO |r|
BDBM50342936 CO[C@@H](CO)[C@H](O)C[S@@+]1C[C@@H](O)[C@H](O)[C@H]1CO |r|
BDBM50342937 CCO[C@@H](CO)[C@H](O)C[S@@+]1C[C@@H](O)[C@H](O)[C@H]1CO |r|
BDBM50342938 CCCCCCCCCCCCCO[C@@H](CO)[C@H](O)C[S@@+]1C[C@@H](O)[C@H](O)[C@H]1CO |r|
BDBM50342939 OC[C@H](OCc1ccccc1)[C@H](O)C[S@@+]1C[C@@H](O)[C@H](O)[C@H]1CO |r|
BDBM50333465 C[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1N[C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O |r,t:37|
BDBM50330955 OC[C@H](OS([O-])(=O)=O)[C@H](O)C[S@@+]1C[C@@H](O)[C@H](O)[C@H]1CO |r|
BDBM50333456 CCCCC[C@@H]1N[C@@H](CO)[C@H](O)[C@H]1O |r|
BDBM50333457 CCCCCC[C@@H]1N[C@@H](CO)[C@H](O)[C@H]1O |r|
BDBM50333458 CCCCCCC[C@@H]1N[C@@H](CO)[C@H](O)[C@H]1O |r|
BDBM50333459 CCCCCCCC[C@@H]1N[C@@H](CO)[C@H](O)[C@H]1O |r|
BDBM50333460 CCCCCCCC[C@H]1N[C@@H](CO)[C@H](O)[C@H]1O |r|
BDBM50333461 CCCCCCCCC[C@@H]1N[C@@H](CO)[C@H](O)[C@H]1O |r|
BDBM50333462 CCCCCCCCCC[C@@H]1N[C@@H](CO)[C@H](O)[C@H]1O |r|
BDBM50333463 CCCCCCCCCCC[C@@H]1N[C@@H](CO)[C@H](O)[C@H]1O |r|
BDBM50333464 CCCC[C@H]1[C@H](O)[C@@H](O)[C@H](CO)N1CCCC |r|
BDBM50335381 CCCCCCCCCOCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@@H]1CO |r|
BDBM50335382 CCCCCCCCOCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@@H]1CO |r|
BDBM50335383 CCCCCCCOCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@@H]1CO |r|
BDBM50335384 CCCCCCOCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@@H]1CO |r|
BDBM50335385 CCCCCOCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@@H]1CO |r|
BDBM50335386 CCCCOCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@@H]1CO |r|
BDBM50335387 CCCCCCCCCOCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO |r|
BDBM50335388 CCCCCCCCOCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO |r|
BDBM50335389 CCCCCCCOCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO |r|
BDBM50335390 CCCCCCOCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO |r|
BDBM50335391 CCCCCOCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO |r|
BDBM50335392 CCCCOCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO |r|
BDBM50333453 CC[C@@H]1N[C@@H](CO)[C@H](O)[C@H]1O |r|
BDBM50333454 CCC[C@@H]1N[C@@H](CO)[C@H](O)[C@H]1O |r|
BDBM50333455 CCCC[C@@H]1N[C@@H](CO)[C@H](O)[C@H]1O |r|
BDBM50350757 OC[C@@H]1CNC[C@@H](O)[C@@H]1O |r|
BDBM50362636 C[C@H](O)[C@H]1OC(=O)c2cc(O)cc(O)c2[C@@H]1c1ccc(O)cc1 |r|
BDBM50362637 CC(=O)[C@@H]1OC(=O)c2cc(O)cc(O)c2[C@@H]1c1ccc(O)c(O)c1 |r|
BDBM50362638 CC(=O)[C@H]1OC(=O)c2cc(O)cc(O)c2[C@@H]1c1ccc(O)c(O)c1 |r|
BDBM50362639 CC(=O)[C@@H]1OC(=O)c2cc(O)cc(O)c2[C@@H]1c1ccc(O)cc1 |r|
BDBM50362640 CC(=O)[C@H]1OC(=O)c2cc(O)cc(O)c2[C@@H]1c1ccc(O)cc1 |r|
BDBM50362641 Oc1ccc(cc1)[C@@H]1Oc2cc(O)cc3[C@@H]([C@H]4[C@H](c5ccc(O)cc5)c5c(O)cc(O)cc5[C@H]5[C@@H](Oc6cc(O)cc4c56)c4ccc(O)cc4)[C@H](c4ccc(O)cc4)c4c(O)cc(O)cc4[C@@H]1c23
BDBM50362642 Oc1ccc(cc1)[C@@H]1Oc2cc(O)cc3[C@H]([C@@H]4[C@@H](c5ccc(O)cc5)c5c(O)cc(O)cc5[C@H]5[C@@H](Oc6cc(O)cc4c56)c4ccc(O)cc4)[C@@H](c4ccc(O)cc4)c4c(O)cc(O)cc4[C@@H]1c23 |r|
BDBM50362643 Oc1ccc(cc1)[C@@H]1Oc2cc(O)cc([C@@H]3[C@H]4[C@@H](c5ccc(O)cc5)c5c(O)cc(O)cc5[C@@H]5[C@H](Oc6cc(O)c([C@H]3c3ccc(O)cc3)c4c56)c3ccc(O)cc3)c2[C@H]1c1cc(O)cc(O)c1 |r|
BDBM50362644 Oc1ccc(cc1)[C@@H]1Oc2cc(O)c3[C@H]([C@H]4[C@H]([C@@H](c5c4c4[C@H]([C@@H](Oc4cc5O)c4ccc(O)cc4)c4cc(O)cc(O)c4)c4ccc(O)cc4)c3c2[C@H]1c1cc(O)cc(O)c1)c1ccc(O)cc1 |r|
BDBM50362645 Oc1ccc(cc1)[C@@H]1Oc2cc(O)cc(C3[C@H]([C@@H]4[C@H](c5ccc(O)cc5)c5c(O)cc(O)cc5[C@H]5[C@@H](Oc6cc(O)c3c4c56)c3ccc(O)cc3)c3ccc(O)cc3)c2[C@H]1c1cc(O)cc(O)c1 |r|
BDBM50362646 Oc1ccc(cc1)[C@@H]1Oc2cc(O)c3[C@@H]4[C@@H]([C@@H]([C@H](c5ccc(O)cc5)c5c(O)cc6O[C@H]([C@@H](c6c45)c4cc(O)cc(O)c4)c4ccc(O)cc4)c3c2[C@H]1c1cc(O)cc(O)c1)c1ccc(O)cc1 |r,THB:11:13:34.25.17:15,51:50:34.25.17:15|
BDBM50362647 Oc1ccc(cc1)[C@@H]1Oc2cc(O)c3[C@@H]([C@H]([C@H]4[C@H](c5ccc(O)cc5)c5c(O)cc(O)cc5[C@@H]1c2c34)c1ccc(O)cc1)c1cc(O)cc(O)c1 |r|
BDBM50362648 Oc1ccc(cc1)[C@H]1Oc2cc(O)c3[C@@H]([C@H]([C@@H]4[C@H](c5ccc(O)cc5)c5c(O)cc(O)cc5[C@H]1c2c34)c1ccc(O)cc1)c1cc(O)cc(O)c1 |r|
BDBM50362649 Oc1ccc(cc1)[C@@H]1[C@@H]2[C@@H]3c4ccc(O)cc4[C@H]([C@H](c4cc(O)cc(O)c34)c3c2c([C@H]1c1cc(O)cc(O)c1)c(O)cc3O)c1ccc(O)cc1 |r,TLB:20:19:8.28.27:10.16.17,24:26:8.28.27:10.16.17|
BDBM50362650 Oc1ccc(cc1)[C@H]1Oc2cc(O)cc3[C@H]4[C@@H](Oc5cc(O)cc([C@H]6[C@@H](Oc7cc(O)cc([C@H]1c23)c67)c1ccc(O)cc1)c45)c1ccc(O)cc1 |r|
BDBM50362651 Oc1ccc(cc1)[C@@H]1Oc2cc(O)c3[C@H]([C@@H]([C@@H]4[C@H](c5ccc(O)cc5)c5c(O)cc(O)cc5[C@@H]1c2c34)c1ccc(O)cc1)c1cc(O)cc(O)c1 |r|
BDBM50362653 O[C@H]1[C@@H](c2ccc(O)cc2)c2c(O)cc(O)cc2[C@H]2[C@@H](Oc3cc(O)cc1c23)c1ccc(O)cc1 |r|
BDBM50362654 O[C@H]1[C@H](c2ccc(O)cc2)c2c(O)cc(O)cc2[C@H]2[C@@H](Oc3c2c1ccc3O)c1ccc(O)cc1 |r|
BDBM50362655 O[C@@H]1[C@@H](c2ccc(O)cc2)c2c(O)cc(O)cc2-c2c(oc3cc(O)cc1c23)-c1ccc(O)cc1 |r|
BDBM50362656 O[C@@H]1[C@@H](c2ccc(O)cc2)c2c(O)cc(O)c(O)c2-c2c(oc3cc(O)cc1c23)-c1ccc(O)c(O)c1 |r|
BDBM50362657 O[C@H]1[C@@H](c2ccc(O)cc2)c2c(O)cc(O)cc2C(=O)c2c(O)cc(O)cc12 |r|
BDBM50362658 OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1c(O)cc(O)cc1\C=C\c1ccc(O)cc1 |r|
BDBM50362659 OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1c(O)cc(O)cc1\C=C/c1ccc(O)cc1 |r|
BDBM50375510 OC[C@@H]1N[C@@H](CO)[C@H](O)[C@H]1O
BDBM50375511 OC[C@@H]1NC[C@H](O)[C@H]1O
BDBM50366376 CC(=O)OCC(CO[C@H]1O[C@H](CS(O)(=O)=O)[C@@H](O)[C@H](O)[C@H]1O)OC(C)=O |r|
BDBM50369362 OC[C@H]1N[C@H](CO)[C@H](O)C(O)[C@H]1O |r|
BDBM50398019 CC(=O)c1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1ccc2NC(=O)C(Cl)(Cl)c2c1
BDBM50398020 CC(=O)c1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1cc2CC(=O)Nc2cc1Cl
BDBM50398021 OCc1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1ccc2NC(=O)Cc2c1
BDBM50398022 OC(=O)c1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1ccc2NC(=O)Cc2c1
BDBM50398023 COC(=O)c1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1ccc2NC(=O)Cc2c1
BDBM50398024 O=Cc1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1ccc2NC(=O)Cc2c1
BDBM50398025 FC(F)(F)c1cccc(c1)N1CCN(CC1)S(=O)(=O)c1ccc2NC(=O)Cc2c1
BDBM50398026 Clc1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1ccc2NC(=O)Cc2c1
BDBM50398027 [O-][N+](=O)c1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1ccc2NC(=O)Cc2c1
BDBM50398028 O=C1Cc2cc(ccc2N1)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)C#N
BDBM50398029 Oc1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1ccc2NC(=O)Cc2c1
BDBM50398030 COc1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1ccc2NC(=O)Cc2c1
BDBM50398031 CC(=O)N1CCN(CC1)S(=O)(=O)c1ccc2NC(=O)Cc2c1
BDBM50398032 CC(=O)c1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1ccc2NC(=O)Cc2c1
BDBM50394347 OC[C@H](O)[C@H](O)[C@H](O)[C@@H](OS([O-])(=O)=O)[C@H](O)C[S@@+]1C[C@@H](O)[C@H](O)[C@H]1CO |r|
BDBM50394348 OC[C@H](O)[C@@H](O)[C@H](O)[C@@H](OS([O-])(=O)=O)[C@H](O)C[S@@+]1C[C@@H](O)[C@H](O)[C@H]1CO |r|
BDBM50394349 OC[C@@H](O)[C@H](O)[C@H](O)[C@@H](OS([O-])(=O)=O)[C@H](O)C[S@@+]1C[C@@H](O)[C@H](O)[C@H]1CO |r|
BDBM50394350 OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](OS([O-])(=O)=O)[C@H](O)C[S@@+]1C[C@@H](O)[C@H](O)[C@H]1CO |r|
BDBM50394351 OC[C@H](O)[C@H](O)[C@H](O)[C@H](OS([O-])(=O)=O)[C@H](O)C[S@@+]1C[C@@H](O)[C@H](O)[C@H]1CO |r|
BDBM50394352 OC[C@H](O)[C@@H](O)[C@H](O)[C@H](OS([O-])(=O)=O)[C@H](O)C[S@@+]1C[C@@H](O)[C@H](O)[C@H]1CO |r|
BDBM50394353 OC[C@@H](O)[C@H](O)[C@H](O)[C@H](OS([O-])(=O)=O)[C@H](O)C[S@@+]1C[C@@H](O)[C@H](O)[C@H]1CO |r|
BDBM50394354 OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](OS([O-])(=O)=O)[C@H](O)C[S@@+]1C[C@@H](O)[C@H](O)[C@H]1CO |r|
BDBM50408431 OC[C@H]1N[C@H](CO)[C@@H](O)C(O)[C@@H]1O
BDBM50408432 OC[C@H]1N[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O
BDBM50408433 OC[C@H]1N[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O |r|
BDBM50407255 CC[C@H]1NC[C@@H](O)[C@@H]1O |r|
BDBM50399650 C[C@@]1(CO)NC[C@H](O)[C@H]1O |r|
BDBM50399651 CCCCN1C[C@H](O)[C@@H](O)[C@@H]1CO |r|
BDBM50399652 CCC[C@@H](O)[C@@H]1N[C@@H](CO)[C@H](O)[C@H]1O |r|
BDBM50399653 CCC[C@H](O)[C@@H]1N[C@@H](CO)[C@H](O)[C@H]1O |r|
BDBM50399654 CC(C)CCC[C@@H]1N[C@@H](CO)[C@H](O)[C@H]1O |r|
BDBM50399655 OC[C@@H]1N[C@@H](CCCCc2ccccc2)[C@H](O)[C@H]1O |r|
BDBM50403869 CC[C@H]1NC[C@H](O)[C@@H]1O |r|
BDBM50401967 COc1ccc2N3C(Sc2c1)=NC(=C\C3=C/C#N)c1ccc(Br)cc1 |c:12,14|
BDBM50401968 CCOc1ccc2N3C(Sc2c1)=NC(=C\C3=C/C#N)c1ccccc1 |c:13,15|
BDBM50401969 COc1ccc2N3C(Sc2c1)=NC(=C\C3=C/C#N)c1ccccc1 |c:12,14|
BDBM50401970 COc1ccc2N3C(Sc2c1)=NC(=C\C3=C/C#N)c1ccc(C)cc1 |c:12,14|
BDBM50401971 Cc1ccc(cc1)C1=C\C(=C/C#N)N2C(Sc3ccccc23)=N1 |c:24,t:8|
BDBM50401972 COc1ccc2N3C(Sc2c1)=NC(=C\C3=C/C#N)c1ccc(Cl)cc1 |c:12,14|
BDBM50401973 COc1ccc2N3C(Sc2c1)=NC(=C\C3=C/C#N)c1ccc2ccccc2c1 |c:12,14|
BDBM50401974 N#C\C=C1/C=C(N=C2Sc3ccccc3N12)c1ccc2ccccc2c1 |c:4,t:6|
BDBM50401975 COc1ccc2N3C(Sc2c1)=NC(=C\C3=C/C#N)c1ccc(F)cc1 |c:12,14|
BDBM50401976 Brc1ccc(cc1)C1=C\C(=C/C#N)N2C(Sc3ccccc23)=N1 |c:24,t:8|
BDBM50401977 Fc1ccc(cc1)C1=C\C(=C/C#N)N2C(Sc3ccccc23)=N1 |c:24,t:8|
BDBM50401978 Clc1ccc(cc1)C1=C\C(=C/C#N)N2C(Sc3ccccc23)=N1 |c:24,t:8|
BDBM50401979 N#C\C=C1/C=C(N=C2Sc3ccccc3N12)c1ccccc1 |c:4,t:6|
BDBM50425174 CSC(CC(=O)c1ccc(C)cc1)=Nc1nc2ccccc2s1 |w:13.14|
BDBM50432213 Cc1ccc(cc1)S(=O)(=O)Nc1ccc2C(=O)N(CCOc3ccccc3)C(=O)c2c1
BDBM50432214 Cc1ccc(cc1)S(=O)(=O)Nc1ccc2C(=O)N(CCOc3ccc(O)cc3)C(=O)c2c1
BDBM50432215 Cc1ccc(cc1)S(=O)(=O)Nc1ccc2C(=O)N(CCOc3cccc(O)c3)C(=O)c2c1
BDBM50432216 Cc1ccc(cc1)S(=O)(=O)Nc1ccc2C(=O)N(CCNc3ccc(O)c(O)c3)C(=O)c2c1
BDBM50432217 Cc1ccc(cc1)S(=O)(=O)Nc1ccc2C(=O)N(N3CCCCC3)C(=O)c2c1
BDBM50432218 Cc1ccc(cc1)S(=O)(=O)Nc1ccc2C(=O)N(N3CCOCC3)C(=O)c2c1
BDBM50432219 Cc1ccc(cc1)S(=O)(=O)Nc1ccc2C(=O)N(Cc3ccc(C(O)=O)c(O)c3)C(=O)c2c1
BDBM50432220 Cc1ccc(cc1)S(=O)(=O)Nc1ccc2C(=O)N(Cc3ccc(O)c(O)c3)C(=O)c2c1
BDBM50432221 Cc1ccc(cc1)S(=O)(=O)Nc1ccc2C(=O)N(Cc3ccc(cc3)C(N)=O)C(=O)c2c1
BDBM50432222 Cc1ccc(cc1)S(=O)(=O)Nc1ccc2C(=O)N(Cc3ccc(cc3)C#N)C(=O)c2c1
BDBM50432223 Cc1ccc(cc1)S(=O)(=O)Nc1ccc2C(=O)N(CCNc3ccccc3)C(=O)c2c1
BDBM50432224 Cc1ccc(cc1)S(=O)(=O)Nc1ccc2C(=O)N(Cc3ccc(Cl)c(Cl)c3)C(=O)c2c1
BDBM50432225 Cc1ccc(cc1)S(=O)(=O)Nc1ccc2C(=O)N(Cc3ccc(Cl)cc3)C(=O)c2c1
BDBM50432226 Cc1ccc(cc1)S(=O)(=O)Nc1ccc2C(=O)N(Cc3ccccc3F)C(=O)c2c1
BDBM50432227 Cc1ccc(cc1)S(=O)(=O)Nc1ccc2C(=O)N(Cc3ccc(F)cc3)C(=O)c2c1
BDBM50432228 Cc1ccc(cc1)S(=O)(=O)Nc1ccc2C(=O)N(Cc3ccccc3)C(=O)c2c1
BDBM50432229 Cc1ccc(cc1)S(=O)(=O)Nc1ccc2C(=O)N(CCCCBr)C(=O)c2c1
BDBM50432230 Cc1ccc(cc1)S(=O)(=O)Nc1ccc2C(=O)N(CCCBr)C(=O)c2c1
BDBM50432231 Cc1ccc(cc1)S(=O)(=O)Nc1ccc2C(=O)N(CCBr)C(=O)c2c1
BDBM50432232 CN1C(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2C1=O
BDBM50432210 Nc1ccc2C(=O)N(CCNc3ccccc3)C(=O)c2c1
BDBM50432211 [O-][N+](=O)c1ccc2C(=O)N(CCNc3ccccc3)C(=O)c2c1
BDBM50432212 O=C1N(CCNc2ccccc2)C(=O)c2ccccc12
BDBM50024129 N[C@H]1C[C@](O)(CO)[C@@H](O)[C@H](O)[C@H]1O |r|
BDBM50438498 OC[C@H]1O[C@@H](CNCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O |r|
BDBM50438506 OC[C@H]1O[C@@H](CNC(=O)c2cccs2)[C@H](O)[C@@H](O)[C@@H]1O |r|
BDBM50438507 OC[C@H]1O[C@@H](CNC(=O)c2ccco2)[C@H](O)[C@@H](O)[C@@H]1O |r|
BDBM50438520 OC[C@H]1O[C@@H](CNCc2cccs2)[C@H](O)[C@@H](O)[C@@H]1O |r|
BDBM50438499 Cc1ccc(cc1)S(=O)(=O)NC[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
BDBM50438500 CC(=O)Oc1ccc(\C=C\C(=O)NC[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1OC(C)=O |r|
BDBM50438501 COc1cc(\C=C\C(=O)NC[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O |r|
BDBM50438502 CC(=O)Oc1ccc(\C=C\C(=O)NC[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
BDBM50438503 OC[C@H]1O[C@@H](CNC(=O)\C=C\c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O |r|
BDBM50438504 OC[C@H]1O[C@@H](CNC(=O)\C=C\c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O |r|
BDBM50438505 CC(=O)Oc1cc(cc(OC(C)=O)c1OC(C)=O)C(=O)NC[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
BDBM50439692 O[C@@H]1C[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O |r|
BDBM50439693 COc1ccc(\C=C\C(=O)O[C@H]2C[C@@H](O)[C@H](O)[C@@H](O)[C@H]2O)cc1O |r|
BDBM50439694 COc1ccc(\C=C\C(=O)O[C@@H]2C[C@@H](O)[C@H](O)[C@@H](O)[C@H]2O)cc1O |r|
BDBM50439695 COc1cc(\C=C\C(=O)O[C@H]2C[C@@H](O)[C@H](O)[C@@H](O)[C@H]2O)ccc1O |r|
BDBM50439696 COc1cc(\C=C\C(=O)O[C@@H]2C[C@@H](O)[C@H](O)[C@@H](O)[C@H]2O)ccc1O |r|
BDBM50439697 O[C@@H]1C[C@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O |r|
BDBM50438508 CC(=O)Oc1ccc(cc1)C(=O)NC[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
BDBM50438509 COc1ccc(C(=O)NC[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(OC)c1 |r|
BDBM50438510 COc1ccc(cc1)C(=O)NC[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
BDBM50438511 OC[C@H]1O[C@@H](CNC(=O)c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O |r|
BDBM50438512 COc1ccccc1C(=O)NC[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
BDBM50438513 OC[C@H]1O[C@@H](CNC(=O)c2ccccc2O)[C@H](O)[C@@H](O)[C@@H]1O |r|
BDBM50438514 OC[C@H]1O[C@@H](CNC(=O)c2ccc(cc2)[N+]([O-])=O)[C@H](O)[C@@H](O)[C@@H]1O |r|
BDBM50438515 OC[C@H]1O[C@@H](CNC(=O)c2cccc(c2)[N+]([O-])=O)[C@H](O)[C@@H](O)[C@@H]1O |r|
BDBM50438516 OC[C@H]1O[C@@H](CNC(=O)c2ccc(F)cc2)[C@H](O)[C@@H](O)[C@@H]1O |r|
BDBM50438517 OC[C@H]1O[C@@H](CNC(=O)c2ccc(Cl)cc2Cl)[C@H](O)[C@@H](O)[C@@H]1O |r|
BDBM50438518 OC[C@H]1O[C@@H](CNC(=O)c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O |r|
BDBM50438519 OC[C@H]1O[C@@H](CNC\C=C\c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O |r|
BDBM50438521 COc1ccc(cc1O)C(C)NC[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
BDBM50438522 COc1ccc(CNC[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(OC)c1 |r|
BDBM50438523 COc1cc(CNC[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O |r|
BDBM50438490 COc1ccc(CNC[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1O |r|
BDBM50438491 COc1ccc(CNC[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
BDBM50438492 OC[C@H]1O[C@@H](CNCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O |r|
BDBM50438493 OC[C@H]1O[C@@H](CNCc2ccccc2O)[C@H](O)[C@@H](O)[C@@H]1O |r|
BDBM50438494 OC[C@H]1O[C@@H](CNCc2cccc(c2)[N+]([O-])=O)[C@H](O)[C@@H](O)[C@@H]1O |r|
BDBM50438495 OC[C@H]1O[C@@H](CNCc2ccc(F)cc2)[C@H](O)[C@@H](O)[C@@H]1O |r|
BDBM50438496 OC[C@H]1O[C@@H](CNCc2ccc(Cl)c(Cl)c2)[C@H](O)[C@@H](O)[C@@H]1O |r|
BDBM50438497 OC[C@H]1O[C@@H](CNCc2ccc(Cl)cc2Cl)[C@H](O)[C@@H](O)[C@@H]1O |r|
BDBM50048087 COc1ccc(CCCC[C@@H]2N[C@@H](CO)[C@H](O)[C@H]2O)cc1 |r|
BDBM50048088 OC[C@@H]1N[C@@H](CCCCc2ccc(O)cc2)[C@H](O)[C@H]1O |r|
BDBM50048090 OC[C@@H]1N[C@@H](CCCCc2cc(F)cc(F)c2)[C@H](O)[C@H]1O |r|
BDBM190531 OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CC1CCCO1 |r|
BDBM50048086 Cc1ccc(CCCC[C@@H]2N[C@@H](CO)[C@H](O)[C@H]2O)cc1 |r|
BDBM50048089 OC[C@@H]1N[C@@H](CCCCc2ccc(F)cc2)[C@H](O)[C@H]1O |r|
BDBM190528 OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CC1CC1 |r|
BDBM190529 CN(C)C(=O)OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO |r|
BDBM190530 CC(C)(C)OC(=O)N1CCC(CN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)CC1 |r|
BDBM190533 OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCOCC(F)(F)F |r|
BDBM190534 COCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO |r|
BDBM190535 CCOCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO |r|
BDBM190536 OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1Cc1ccc(cc1)C(F)(F)F |r|
BDBM190537 OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1C([N+]#[C-])c1ccc(cc1)C(F)(F)F |r,w:11.12|
BDBM190538 OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1Cc1ccc(OC(F)(F)F)cc1 |r|
BDBM190539 CCCCCOc1ccc(CN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)cc1 |r|
BDBM190540 CCCCOc1ccc(CN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)cc1 |r|
BDBM50124581 OC[C@@]12CCCN1C[C@H](O)[C@@H](O)[C@@H]2O |r|
BDBM50123929 O[C@@H](CCCCCCCC(=O)c1c(O)cc(O)c(C(CCc2ccccc2)c2ccc(O)cc2O)c1O)c1ccccc1 |r|
BDBM50123930 O[C@@H](CCCCCCCC(=O)c1c(O)cc(O)cc1O)c1ccccc1 |r|
BDBM50123931 OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1c(O)cc(O)c2C(=O)C[C@H](Oc12)c1ccccc1 |r|
BDBM50104645 Cc1cc(O)cc(O)c1C(O)=O
BDBM50104667 Cc1cc(O)cc(O)c1
BDBM50104668 COC(=O)c1cc(OC)cc(OC)c1C(=O)c1coc(\C=C\C)c(OC)c1=O
BDBM50104669 COC(=O)c1cc(OC)cc(OC)c1C(=O)c1coc2c1OC(C)CC2=O
BDBM50104670 COC(=O)c1cc(OC)cc(OC)c1C(=O)c1c[nH]c(\C=C\C)c(OC)c1=O
BDBM50104671 Cc1cc(O)c(O)cc1-c1cc(O)cc(O)c1
BDBM50104672 CC1=C(C(=O)[C@@H](O)C1)c1cc(O)cc(O)c1 |r,t:1|
BDBM50104724 C\C=C\C1=CC2=CC(=O)[C@@](C)(O)[C@@H](OC(=O)c3c(C)cc(O)cc3O)C2=CO1 |r,c:27,t:3,5|
BDBM50104725 [H][C@@]12COC(\C=C\C(O)=O)=CC1=CC(=O)[C@](C)(O)[C@H]2OC(=O)c1c(C)cc(O)cc1O |r,c:9,12|
BDBM50104726 Cc1cc(O)cc(O)c1C(=O)O[C@@]1(C)[C@H](O)CC2=C(COC(\C=C\C(O)=O)=C2)C1=O |r,c:27,t:18|
BDBM50104748 [H][C@@]1([#6]-[#6][C@@]2([#6])[#6]-3=[#6]-[#6][C@@]4([H])C([#6])([#6])[#6](=O)-[#6]-[#6][C@]4([#6])[#6]-3=[#6]-[#6][C@]12[#6])[#6@H](-[#6])-[#6]-[#6]-[#6@H](-[#8])[C@]([#6])([#8])[#6]-[#8]-[#6](=O)-[#6](\[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])=[#6]/[#6]-c1cc(-[#8])ccc1-[#8] |r,c:22,t:6|
BDBM50104749 [H][C@@]1([#6]-[#6][C@@]2([#6])[#6]-3=[#6]-[#6][C@@]4([H])C([#6])([#6])[#6](=O)-[#6]-[#6][C@]4([#6])[#6]-3=[#6]-[#6][C@]12[#6])[#6@H](-[#6])-[#6]-[#6]-[#6@H](-[#8]-[#6](=O)-[#6](\[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])=[#6]/[#6]-c1cc(-[#8])ccc1-[#8])[C@]([#6])([#8])[#6]-[#8] |r,c:22,t:6|
BDBM50104750 [H][C@@]1([#6]-[#6][C@@]2([#6])[#6]-3=[#6]-[#6][C@@]4([H])C([#6])([#6])[#6](=O)-[#6]-[#6][C@]4([#6])[#6]-3=[#6]-[#6][C@]12[#6])[#6@H](-[#6])-[#6]-[#6]-[#6@H](-[#8]-[#6](=O)-[#6](\[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])=[#6]\[#6]-c1cc(-[#8])ccc1-[#8])[C@]([#6])([#8])[#6]-[#8] |r,c:22,t:6|
BDBM50104751 [H][C@@]1([#6]-[#6][C@@]2([#6])[#6]-3=[#6](-[#6]-[#6][C@]12[#6])[C@@]1([#6])[#6]-[#6]-[#6](=O)C([#6])([#6])[C@]1([H])[#6]-[#6]-3=O)[#6@H](-[#6])-[#6]-[#6]-[#6@H](-[#8])[C@]([#6])([#8])[#6]-[#8]-[#6](=O)-[#6](\[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])=[#6]/[#6]-c1cc(-[#8])ccc1-[#8] |r,c:6|
BDBM243075 Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)N1c2[nH]c(=O)[nH]c(=O)c2C(C(O)C(O)C(O)C(O)CO)c2c1[nH]c(=O)[nH]c2=O
BDBM50016703 OC[C@H]1NC[C@@H](O)[C@@H]1O |r|
BDBM50259130 O=C(Cn1cc(CSc2nnc(-c3ccccc3)c(n2)-c2ccccc2)nn1)Nc1ccccc1
BDBM50259123 Fc1ccc(NC(=O)Cn2cc(CSc3nnc(-c4ccccc4)c(n3)-c3ccccc3)nn2)cc1
BDBM50259120 COc1ccc(NC(=O)Cn2cc(CSc3nnc(-c4ccccc4)c(n3)-c3ccccc3)nn2)cc1
BDBM50259121 CCOc1ccccc1NC(=O)Cn1cc(CSc2nnc(-c3ccccc3)c(n2)-c2ccccc2)nn1
BDBM50259122 CCOc1ccc(NC(=O)Cn2cc(CSc3nnc(-c4ccccc4)c(n3)-c3ccccc3)nn2)cc1
BDBM50259126 Clc1ccc(NC(=O)Cn2cc(CSc3nnc(-c4ccccc4)c(n3)-c3ccccc3)nn2)c(Cl)c1
BDBM50259127 Cc1ccc(NC(=O)Cn2cc(CSc3nnc(-c4ccccc4)c(n3)-c3ccccc3)nn2)c(C)c1
BDBM50259128 Cc1ccccc1NC(=O)Cn1cc(CSc2nnc(-c3ccccc3)c(n2)-c2ccccc2)nn1
BDBM50259129 Cc1cccc(NC(=O)Cn2cc(CSc3nnc(-c4ccccc4)c(n3)-c3ccccc3)nn2)c1
BDBM50259149 FC(F)(F)c1cccc(NC(=O)Cn2cc(CSc3nnc(-c4ccccc4)c(n3)-c3ccccc3)nn2)c1
BDBM50259150 Clc1ccc(Cl)c(NC(=O)Cn2cc(CSc3nnc(-c4ccccc4)c(n3)-c3ccccc3)nn2)c1
BDBM50259151 Clc1ccc(NC(=O)Cn2cc(CSc3nnc(-c4ccccc4)c(n3)-c3ccccc3)nn2)cc1
BDBM50259152 Cc1ccc(NC(=O)Cn2cc(CSc3nnc(-c4ccccc4)c(n3)-c3ccccc3)nn2)cc1
BDBM50487851 COc1cc(OC)c(\C=C\C(=O)c2cc3ccoc3cc2O)cc1OC
BDBM50487852 COc1ccc(\C=C\C(=O)c2cc3ccoc3cc2O)cc1OC
BDBM50487853 COc1ccc(\C=C\C(=O)c2ccc3occc3c2O)c(OC)c1OC
BDBM50487854 COc1ccc(\C=C\C(=O)c2ccc3occc3c2O)cc1OC
BDBM50487855 COc1ccc(\C=C\C(=O)c2ccc3occc3c2O)cc1
BDBM50487856 Oc1ccc(\C=C\C(=O)c2ccc3occc3c2O)cc1
BDBM50487848 Oc1cc2occc2cc1C(=O)\C=C\c1ccccc1
BDBM50487849 Oc1ccc(\C=C\C(=O)c2ccc3occc3c2O)cc1O
BDBM50487850 Oc1ccc(\C=C\C(=O)c2cc3ccoc3cc2O)cc1O
BDBM50486322 COc1ccc(cc1)\N=C\c1cc(Br)ccc1O
BDBM50486323 Oc1ccccc1\C=N\c1ccc(cc1)[N+]([O-])=O
BDBM50478555 O[C@@H](\C=C\CCCCCC#CC#CCCCC#CCCCC#CCCCCCC#CC(O)=O)C#C |r|
BDBM50478556 OC(\C=C\CCCCCC#CC\C=C/CCCCCCCCCCC\C=C/C#CC(O)=O)C#C
BDBM50478557 O[C@@H](\C=C\CCCCCCC#C[C@@H](O)\C=C\[C@H](O)C#CCCCCCC\C=C\[C@H](O)C#C)C#C |r|
BDBM50486938 OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1c(O)cc2oc(cc(=O)c2c1O)-c1ccc(O)cc1 |r|
BDBM50486939 CC[C@H](\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4CC(CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O)C(C)C |r,t:13|
BDBM50478411 COc1cc(ccc1O)C(=O)OCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)c1 |r|
BDBM50478412 COc1cc(ccc1O)C(=O)OCc1ccc(O[C@@H]2O[C@H](COC(=O)\C=C\c3ccc(O)c(O)c3)[C@@H](O)[C@H](O)[C@H]2O)c(O)c1 |r|
BDBM50478413 COc1cc(ccc1O)C(=O)OCc1ccc(O[C@@H]2O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]2O)c(O)c1 |r|
BDBM50508732 [H][C@]12[C@@H](O)[C@@H](O)[C@@H](C)N1[C@H](CO)[C@@H](O)[C@H]2O |r|
BDBM50583378 CC[C@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O |r|
BDBM50583377 C[C@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O |r|
BDBM50583379 CCC[C@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O |r|
BDBM50583380 CCCC[C@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O |r|
BDBM50583381 CCCCC[C@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O |r|
BDBM50583382 CCCCCC[C@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O |r|
BDBM50583385 CCCCCCC[C@@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O |r|
BDBM50583383 CCCCCCC[C@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O |r|
BDBM50583384 CCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO |r|
BDBM50596704 Cc1ccc(cc1)[C@@]1(CO)NC[C@H](O)[C@H]1O |r|
BDBM50596706 COc1ccc(cc1OC)[C@@]1(CO)NC[C@H](O)[C@H]1O |r|
BDBM50596713 COc1ccc(cc1OC)[C@]1(CO)NC[C@@H](O)[C@@H]1O |r|
BDBM50596691 CCCC[C@@]1(CO)NC[C@H](O)[C@H]1O |r|
BDBM50596692 CCCCCCCCC[C@@]1(CO)NC[C@H](O)[C@H]1O |r|
BDBM50596693 OC[C@@]1(NC[C@H](O)[C@H]1O)c1ccccc1 |r|
BDBM50596694 COc1ccc(cc1)[C@@]1(CO)NC[C@H](O)[C@H]1O |r|
BDBM50596695 C[C@]1(CO)NC[C@@H](O)[C@@H]1O |r|
BDBM50596696 CCCC[C@]1(CO)NC[C@@H](O)[C@@H]1O |r|
BDBM50596697 CCCCCCCCC[C@]1(CO)NC[C@@H](O)[C@@H]1O |r|
BDBM50596701 OC[C@@]1(NC[C@H](O)[C@H]1O)c1cccc(F)c1 |r|
BDBM50596702 OC[C@@]1(NC[C@H](O)[C@H]1O)c1ccc(F)cc1 |r|
BDBM50596703 OC[C@@]1(NC[C@H](O)[C@H]1O)c1ccc(O)cc1 |r|
BDBM50596705 COc1cccc(c1)[C@@]1(CO)NC[C@H](O)[C@H]1O |r|
BDBM50596707 OC[C@]1(NC[C@@H](O)[C@@H]1O)c1c(F)c(F)c(F)c(F)c1F |r|
BDBM50596708 OC[C@]1(NC[C@@H](O)[C@@H]1O)c1cccc(F)c1 |r|
BDBM50596709 OC[C@]1(NC[C@@H](O)[C@@H]1O)c1ccc(F)cc1 |r|
BDBM50596698 OC[C@]1(NC[C@@H](O)[C@@H]1O)c1ccccc1 |r|
BDBM50596699 COc1ccc(cc1)[C@]1(CO)NC[C@@H](O)[C@@H]1O |r|
BDBM50596700 OC[C@@]1(NC[C@H](O)[C@H]1O)c1c(F)c(F)c(F)c(F)c1F |r|
BDBM50596710 OC[C@]1(NC[C@@H](O)[C@@H]1O)c1ccc(O)cc1 |r|
BDBM50596711 Cc1ccc(cc1)[C@]1(CO)NC[C@@H](O)[C@@H]1O |r|
BDBM50596712 COc1cccc(c1)[C@]1(CO)NC[C@@H](O)[C@@H]1O |r|
BDBM50598387 Cl.O[C@H]1CN[C@@H](CCCc2ccccc2)[C@@H]1O |r|
BDBM50598388 Cl.O[C@@H]1CN[C@H](CCCc2ccccc2)[C@H]1O |r|
BDBM50598389 OC[C@@H]1NC[C@@H](O)[C@@H]1O |r|
BDBM628473 OC[C@@]1(CCc2ccccc2)NC[C@H](O)[C@@H](O)[C@@H]1O |r|
BDBM628474 OCC[C@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O |r|
BDBM628475 OC[C@@]12CCCCN1C[C@H](O)[C@@H](O)[C@@H]2O |r|
BDBM628478 OC[C@@]12CCN1C[C@H](O)[C@@H](O)[C@@H]2O |r|
BDBM628479 OC[C@@H](O)[C@H]1N2C[C@H](O)[C@@H](O)[C@H](O)[C@]12CO |r|
BDBM628480 OC[C@H]1N2C[C@H](O)[C@@H](O)[C@H](O)[C@]12CO |r|
BDBM628481 OC[C@@]12[C@@H]([C@H](O)c3ccccc3)N1C[C@H](O)[C@@H](O)[C@@H]2O |r|
BDBM628482 OC[C@@]12[C@@H]([C@H](O)C3CCCCC3)N1C[C@H](O)[C@@H](O)[C@@H]2O |r|
BDBM628485 C[Si](C)(C)CC[C@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O |r|
BDBM628486 OC[C@@]1(CCC2CCCCC2)NC[C@H](O)[C@@H](O)[C@@H]1O |r|
BDBM628488 OC[C@@]1(CCCc2ccccc2)NC[C@H](O)[C@@H](O)[C@@H]1O |r|
BDBM628489 OC[C@@]1(CCC23CC4CC(CC(C4)C2)C3)NC[C@H](O)[C@@H](O)[C@@H]1O |r,TLB:12:11:14:8.7.6,12:7:14:11.13.10,THB:13:11:8:14.5.6,13:5:8:11.12.10,4:5:8:11.12.10|
CHEMBL5274943 OC[C@H](O)[C@H](O)[C@H](O)[C@H](O)C[S@@+]1C[C@@H](O)[C@H](O)[C@H]1CO |r|
CHEMBL5283777 [Cl-].[H][C@@]1(OC(OC[C@H]1O)c1ccccc1)[C@H](O)C[S@@+]1C[C@@H](O)[C@H](O)[C@H]1CO |r|
CHEMBL5270662 [Cl-].[H][C@@]1(OC(OC[C@H]1O)c1ccc(cc1)C(F)(F)F)[C@H](O)C[S@@+]1C[C@@H](O)[C@H](O)[C@H]1CO |r|
CHEMBL5282251 [Cl-].[H][C@@]1(OC(OC[C@H]1O)c1cccc(Cl)c1)[C@H](O)C[S@@+]1C[C@@H](O)[C@H](O)[C@H]1CO |r|
CHEMBL5284194 [Cl-].[H][C@@]1(OC(OC[C@H]1O)c1ccc(Cl)cc1)[C@H](O)C[S@@+]1C[C@@H](O)[C@H](O)[C@H]1CO |r|
CHEMBL5282029 [Cl-].[H][C@@]1(OC(OC[C@H]1O)c1ccccc1F)[C@H](O)C[S@@+]1C[C@@H](O)[C@H](O)[C@H]1CO |r|
CHEMBL5276620 [Cl-].[H][C@@]1(OC(OC[C@H]1O)c1cccc(F)c1)[C@H](O)C[S@@+]1C[C@@H](O)[C@H](O)[C@H]1CO |r|
CHEMBL5278586 [Cl-].[H][C@@]1(OC(OC[C@H]1O)c1ccc(F)cc1)[C@H](O)C[S@@+]1C[C@@H](O)[C@H](O)[C@H]1CO |r|
CHEMBL5290456 Cl.[H][C@@]1(OC(OC[C@H]1O)c1cccc(c1)[N+]([O-])=O)[C@H](O)C[S@@+]1C[C@@H](O)[C@H](O)[C@H]1CO |r|
CHEMBL5281867 Cl.[H][C@@]1(OC(OC[C@H]1O)c1ccc(cc1)[N+]([O-])=O)[C@H](O)C[S@@+]1C[C@@H](O)[C@H](O)[C@H]1CO |r|
CHEMBL5269400 [Cl-].[H][C@@]1(OC(OC[C@H]1O)c1ccccc1C(F)(F)F)[C@H](O)C[S@@+]1C[C@@H](O)[C@H](O)[C@H]1CO |r|
CHEMBL5277322 [Cl-].[H][C@@]1(OC(OC[C@H]1O)c1cccc(c1)C(F)(F)F)[C@H](O)C[S@@+]1C[C@@H](O)[C@H](O)[C@H]1CO |r|
CHEMBL5276586 Cl.[H][C@@]1(OC(OC[C@H]1O)c1ccccc1[N+]([O-])=O)[C@H](O)C[S@@+]1C[C@@H](O)[C@H](O)[C@H]1CO |r|
CHEMBL5268739 [Cl-].[H][C@@]1(OC(OC[C@H]1O)c1ccccc1Cl)[C@H](O)C[S@@+]1C[C@@H](O)[C@H](O)[C@H]1CO |r|