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248 SMILES Strings for Maltase-glucoamylase

Compound NameSMILES String
BDBM7460 Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
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
BDBM18355 CCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
BDBM19459 Oc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O
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|
BDBM50024116 [H][C@@](O)(CN[C@H]1C[C@](O)(CO)[C@H](O)[C@@H](O)[C@H]1O)c1ccccc1
BDBM50024137 [H][C@](O)(CN[C@H]1C[C@](O)(CO)[C@H](O)[C@@H](O)[C@H]1O)c1ccccc1
BDBM50024123 [H][C@](CO)(N[C@H]1C[C@](O)(CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1
BDBM50024124 [H][C@@](CO)(N[C@H]1C[C@](O)(CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1
BDBM50031480 CN1C[C@@H](O)[C@H](O)[C@H]1CO
BDBM50031481 OC[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O |r|
BDBM50031482 CCCCN1[C@H](CO)[C@@H](O)[C@H](O)[C@H]1CO
BDBM50031483 CN1[C@H](CO)[C@@H](O)[C@H](O)[C@H]1CO
BDBM50031484 CCCCN1C[C@@H](O)[C@H](O)[C@H]1CO
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|
BDBM50065255 OCC1NC(CO)[C@@H](O)C(O)C1O
BDBM50078114 O[C@H]1[C@H]2O[C@H]2[C@H](O)[C@@H](O)[C@@H]1O
BDBM50121025 [#6]\[#6](-[#6])=[#6]\[#6]-c1cc(-[#6](=O)\[#6]=[#6]\c2ccc(-[#8])c(-[#8])c2)c(-[#8])cc1-[#8]
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
BDBM50183251 C[C@@]1(CO)[C@H](O)CC[C@]2(C)[C@@H]1CC[C@@]1(CO1)[C@H]2\C=C\C1=C\C(\OC1=O)=C\C=C\c1ccccc1 |t:22|
BDBM50183252 COc1ccc(\C=C2/OC(=O)C(\C=C\[C@@H]3C(=C)CC[C@@H]4[C@](C)(CO)[C@H](O)CC[C@@]34C)=C2)cc1 |c:31|
BDBM50183253 C[C@@]12COC(O[C@@H]1CC[C@@]1(C)[C@H](C\C=C3/[C@H](O)COC3=O)C(=C)CC[C@H]21)c1cccc(Br)c1
BDBM50183254 CCC\C=C1/OC(=O)C(\C=C\[C@@H]2C(=C)CC[C@@H]3[C@](C)(CO)[C@H](O)CC[C@@]23C)=C1 |c:28|
BDBM50183255 C[C@@]12CC[C@H]3OC(OC[C@@]3(C)[C@H]1CCC(=C)[C@H]2C\C=C1/[C@H](O)COC1=O)c1ccccc1
BDBM50183256 COc1ccc(\C=C2/OC(=O)C(\C=C\[C@@H]3[C@]4(CO4)CC[C@@H]4[C@](C)(CO)[C@H](O)CC[C@@]34C)=C2)cc1 |c:33|
BDBM50183257 C[C@@]1(CO)[C@H](O)CC[C@]2(C)[C@@H]1CCC(=C)[C@H]2\C=C\C1=C\C(\OC1=O)=C\C=C\c1ccccc1 |t:20|
BDBM50210443 C[C@@]1(COC(=O)c2cccnc2)[C@@H](CC[C@]2(C)[C@@H]1CCC(=C)[C@H]2\C=C\C1=C\C(\OC1=O)=C/c1cccc(Br)c1)OC(=O)c1cccnc1 |t:28|
BDBM50210444 C[C@@]1(CO)[C@H](O)CC[C@]2(C)[C@@H]1CCC(=C)[C@H]2\C=C\C1=C\C(\OC1=O)=C\c1ccco1 |t:20|
BDBM50210445 C[C@@]1(CO)[C@H](O)CC[C@]2(C)[C@@H]1CCC(=C)[C@H]2\C=C\C1=C\C(\OC1=O)=C\c1ccccc1 |t:20|
BDBM50210446 C[C@@]1(COC(=O)c2cccnc2)[C@@H](CC[C@]2(C)[C@@H]1CCC(=C)[C@H]2\C=C\C1=C\C(\OC1=O)=C\c1ccco1)OC(=O)c1cccnc1 |t:28|
BDBM50210447 C\C=C\CCC\C=C(/C)\C=C1\OC(=O)C(\C=C\[C@@H]2C(=C)CC[C@@H]3[C@](C)(COC(=O)c4cccnc4)[C@@H](CC[C@@]23C)OC(=O)c2cccnc2)=C1 |c:52|
BDBM50210448 CN(C)c1ccc(\C=C2/OC(=O)C(\C=C\[C@@H]3C(=C)CC[C@@H]4[C@](C)(CO)[C@H](O)CC[C@@]34C)=C2)cc1 |c:32|
BDBM50210449 C[C@@]1(CO)[C@H](O)CC[C@]2(C)[C@@H]1CCC(=C)[C@H]2\C=C\C1=C\C(\OC1=O)=C\c1ccc2OCOc2c1 |t:20|
BDBM50210450 C[C@@]1(COC(=O)c2cccnc2)[C@@H](CC[C@]2(C)[C@@H]1CCC(=C)[C@H]2\C=C\C1=C\C(\OC1=O)=C/c1ccc(Cl)cc1)OC(=O)c1cccnc1 |t:28|
BDBM50210451 CN(C)c1ccc(\C=C2\OC(=O)C(\C=C\[C@@H]3C(=C)CC[C@@H]4[C@](C)(COC(=O)c5cccnc5)[C@@H](CC[C@@]34C)OC(=O)c3cccnc3)=C2)cc1 |c:50|
BDBM50210452 C[C@@]1(COC(=O)c2cccnc2)[C@@H](CC[C@]2(C)[C@@H]1CCC(=C)[C@H]2\C=C\C1=C\C(\OC1=O)=C/c1ccccc1)OC(=O)c1cccnc1 |t:28|
BDBM50210453 COc1cc(OC)c(\C=C2/OC(=O)C(\C=C\[C@@H]3C(=C)CC[C@@H]4[C@](C)(CO)[C@H](O)CC[C@@]34C)=C2)cc1OC |c:33|
BDBM50210454 COc1ccc(\C=C2\OC(=O)C(\C=C\[C@@H]3C(=C)CC[C@@H]4[C@](C)(COC(=O)c5cccnc5)[C@@H](CC[C@@]34C)OC(=O)c3cccnc3)=C2)cc1 |c:49|
BDBM50242271 OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO |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|
BDBM50291028 CCC[Si](C)(C)CN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
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
BDBM50291032 C[Si](C)(C)c1cccc(CN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)c1
BDBM50291033 C[Si](C)(CN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)c1ccccc1
BDBM50291034 C[Si](C)(C)CCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
BDBM50291020 C[Si](C)(CCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)c1ccccc1
BDBM50291023 CC(C)(C)[Si](C)(C)\C=C\CN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
BDBM50291024 C[Si](C)(C)c1ccccc1CN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
BDBM50291021 C[Si](C)(C)CCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
BDBM50291022 C[Si](C)(C)CN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
BDBM50291026 C[Si](C)(\C=C\CN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)c1ccccc1
BDBM50291027 C[Si](C)(C)c1ccc(CN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)cc1
BDBM50289173 CCCCNC1C=C(CO)C(O)C(O)C1O |t:6|
BDBM50289174 CCCCCCCCNC1C=C(CO)C(O)C(O)C1O |t:10|
BDBM50289175 CCCCCCNC1C=C(CO)C(O)C(O)C1O |t:8|
BDBM50289179 CCCCCCCCCCCCCCCCCCNC1C=C(CO)C(O)C(O)C1O |t: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|
BDBM50316178 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|
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|
BDBM50316180 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|
BDBM50316181 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|
BDBM50327504 CO[C@H]([C@H](O)C[S@@+]1C[C@@H](O)[C@H](O)[C@H]1CO)[C@H](O)[C@@H](O)CO |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|
BDBM50330956 OC[C@H](O)[C@@H](O)[C@@H](O)[C@H](OS([O-])(=O)=O)[C@H](O)C[NH+]1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO |r|
BDBM50330957 OC[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO |r|
BDBM50330958 OC[C@H](O)[C@@H](O)[C@@H](O)[C@H](OS([O-])(=O)=O)[C@H](O)C[NH+]1C[C@@H](O)[C@H](O)[C@H]1CO |r|
BDBM50330959 OC[C@H](O)[C@@H](O)[C@@H](O)[C@H](OS([O-])(=O)=O)[C@H](O)C[Se+]1C[C@@H](O)[C@H](O)[C@H]1CO |r|
BDBM50330960 OC[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CN1C[C@@H](O)[C@H](O)[C@H]1CO |r|
BDBM50330961 OC[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)C[Se+]1C[C@@H](O)[C@H](O)[C@H]1CO |r|
BDBM50330954 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|
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|
BDBM50367332 N[C@H]1C[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
BDBM50366472 N[C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O |r,t:2|
BDBM50366473 C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O |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|
BDBM50405386 CO[C@H]1O[C@H](C)[C@H](N[C@H]2C=C(CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O |r,t:9|
BDBM50405387 CO[C@H]1O[C@H](CO)[C@H](N[C@H]2C[C@](O)(CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O |r|
BDBM50405388 CO[C@H]1O[C@H](C)[C@H](N[C@H]2C[C@](O)(CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O |r|
BDBM50405389 C[C@H]1C[C@@H](O)[C@H](O)[C@@H](O)[C@H]1N[C@H]1C[C@](O)(CO)[C@@H](O)[C@H](O)[C@H]1O |r|
BDBM50405390 C[C@H]1C[C@H](N)[C@H](O)[C@@H](O)[C@H]1N[C@H]1C[C@](O)(CO)[C@@H](O)[C@H](O)[C@H]1O |r|
BDBM50405391 CO[C@H]1O[C@H](CO)[C@@H](N[C@H]2C=C(CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O |r,t:10|
BDBM50405392 CO[C@H]1O[C@H](C)[C@@H](N[C@H]2C=C(CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O |r,t:9|
BDBM50405393 CO[C@H]1O[C@H](CO)[C@@H](N[C@H]2C[C@](O)(CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O |r|
BDBM50405394 CO[C@H]1O[C@H](CO)[C@H](N[C@H]2C=C(CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O |r,t:10|
BDBM50405395 C[C@H]1C[C@H](N)[C@H](O)[C@@H](O)[C@@H]1N[C@H]1C[C@](O)(CO)[C@@H](O)[C@H](O)[C@H]1O |r|
BDBM50405396 C[C@H]1C[C@H](O)[C@H](O)[C@@H](O)[C@H]1N[C@H]1C[C@](O)(CO)[C@@H](O)[C@H](O)[C@H]1O |r|
BDBM50405397 CO[C@H]1O[C@H](C)[C@@H](N[C@H]2C[C@](O)(CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O |r|
BDBM50024129 N[C@H]1C[C@](O)(CO)[C@@H](O)[C@H](O)[C@H]1O |r|
BDBM50028181 OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1C(F)(F)F)-c1ccccc1 |r|
BDBM50028244 OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(-c2ccccc2)c(c1)C(F)(F)F |r|
BDBM50028252 OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CC(F)(F)CCCOCc1ccc(cc1)-c1ccccc1 |r|
BDBM50071921 [O-][N+](=O)c1ccc(\C=N\NC(=O)c2ccc(cc2)-c2nc3ccccc3s2)cc1
BDBM50071922 Fc1ccc(\C=N\NC(=O)c2ccc(cc2)-c2nc3ccccc3s2)cc1
BDBM50071923 COc1cc(OC)cc(\C=N\NC(=O)c2ccc(cc2)-c2nc3ccccc3s2)c1
BDBM50071924 O=C(N\N=C\c1ccccc1)c1ccc(cc1)-c1nc2ccccc2s1
BDBM50071927 COc1ccc(\C=N\NC(=O)c2ccc(cc2)-c2nc3ccccc3s2)cc1
BDBM50071929 Oc1cc(O)c(\C=N\NC(=O)c2ccc(cc2)-c2nc3ccccc3s2)c(O)c1
BDBM50071931 Clc1ccc(\C=N\NC(=O)c2ccc(cc2)-c2nc3ccccc3s2)cc1
BDBM50071932 COc1cccc(\C=N\NC(=O)c2ccc(cc2)-c2nc3ccccc3s2)c1
BDBM50071934 COc1cc(\C=N\NC(=O)c2ccc(cc2)-c2nc3ccccc3s2)ccc1O
BDBM50071935 COc1ccc(\C=N\NC(=O)c2ccc(cc2)-c2nc3ccccc3s2)c(I)c1O
BDBM50071936 Oc1ccc(O)c(\C=N\NC(=O)c2ccc(cc2)-c2nc3ccccc3s2)c1
BDBM50071937 Oc1cc(O)cc(\C=N\NC(=O)c2ccc(cc2)-c2nc3ccccc3s2)c1
BDBM50071938 COc1ccc(O)c(\C=N\NC(=O)c2ccc(cc2)-c2nc3ccccc3s2)c1
BDBM50071940 Oc1ccc(\C=N\NC(=O)c2ccc(cc2)-c2nc3ccccc3s2)cc1
BDBM50071949 O=C(N\N=C\c1cccs1)c1ccc(cc1)-c1nc2ccccc2s1
BDBM50071950 Oc1cccc(\C=N\NC(=O)c2ccc(cc2)-c2nc3ccccc3s2)c1O
BDBM50071951 COc1ccc(\C=N\NC(=O)c2ccc(cc2)-c2nc3ccccc3s2)c(O)c1
BDBM50071952 Oc1ccccc1\C=N\NC(=O)c1ccc(cc1)-c1nc2ccccc2s1
BDBM50071953 O=C(N\N=C/c1ccco1)c1ccc(cc1)-c1nc2ccccc2s1
BDBM50071955 Oc1ccc(\C=N\NC(=O)c2ccc(cc2)-c2nc3ccccc3s2)c(O)c1
BDBM50028173 OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1cccc(c1)-c1ccccc1 |r|
BDBM50028175 OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CC(F)(F)CCCOCc1ccc(cc1)-c1ccccc1 |r|
BDBM50028176 OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCC(F)(F)COCc1ccc(cc1)-c1ccccc1 |r|
BDBM50028177 C[C@H](OCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)c1ccc(cc1)-c1ccccc1 |r|
BDBM50028178 C[C@@H](OCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)c1ccc(cc1)-c1ccccc1 |r|
BDBM50028179 OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1F)-c1ccccc1 |r|
BDBM50028180 OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(c(F)c1)-c1ccccc1 |r|
BDBM50028207 OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1)-c1ccccc1 |r|
BDBM50028218 OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1)-c1ccccc1 |r|
BDBM50071925 Fc1ccc(\C=N\NC(=O)c2ccc(cc2)-c2nc3ccccc3s2)cc1Br
BDBM50071930 Oc1ccc(\C=N\NC(=O)c2ccc(cc2)-c2nc3ccccc3s2)cc1Br
BDBM50028243 OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccccc1-c1ccccc1 |r|
BDBM50028248 C[C@H](OCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@@H]1CO)c1ccc(cc1)-c1ccccc1 |r|
BDBM50028249 C[C@@H](OCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@@H]1CO)c1ccc(cc1)-c1ccccc1 |r|
BDBM50028250 OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccccc1-c1ccccc1 |r|
BDBM50028251 OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1cccc(c1)-c1ccccc1 |r|
BDBM50028253 OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCC(F)(F)COCc1ccc(cc1)-c1ccccc1 |r|
BDBM50071933 Oc1cccc(\C=N\NC(=O)c2ccc(cc2)-c2nc3ccccc3s2)c1
BDBM50071939 O=C(N\N=C/c1ccccn1)c1ccc(cc1)-c1nc2ccccc2s1
BDBM50071954 Oc1ccc(\C=N\NC(=O)c2ccc(cc2)-c2nc3ccccc3s2)cc1O
BDBM50028254 OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1C(F)(F)F)-c1ccccc1 |r|
BDBM50028255 OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(-c2ccccc2)c(c1)C(F)(F)F |r|
BDBM50028256 OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1F)-c1ccccc1 |r|
BDBM50028257 OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(c(F)c1)-c1ccccc1 |r|
BDBM223316 CC(C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CS)N1SCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CO)C1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O |r|
BDBM50180587 [H]C1(OC2C(CO)OC([H])(OC3C(CO)OC(O)C(O)C3O)C(O)C2O)OC(C)C(NC2([H])C=C(CO)C(O)C(O)C2O)C(O)C1O |t:35|
BDBM50180588 [Cl-].CO[C@@H](CO)[C@H](O)C[S+]1C[C@@H](O)[C@H](O)[C@H]1CO |r|
BDBM50180520 [Cl-].CCO[C@@H](CO)[C@H](O)C[S+]1C[C@@H](O)[C@H](O)[C@H]1CO |r|
BDBM50180579 [Cl-].CCCCCO[C@@H](CO)[C@H](O)C[S+]1C[C@@H](O)[C@H](O)[C@H]1CO |r|
BDBM50180580 [Cl-].CCCCCCCO[C@@H](CO)[C@H](O)C[S+]1C[C@@H](O)[C@H](O)[C@H]1CO |r|
BDBM50180581 [Cl-].CCCCCCCCCCCCCO[C@@H](CO)[C@H](O)C[S+]1C[C@@H](O)[C@H](O)[C@H]1CO |r|
BDBM50180582 [Cl-].CC(C)CO[C@@H](CO)[C@H](O)C[S+]1C[C@@H](O)[C@H](O)[C@H]1CO |r|
BDBM50180583 [Cl-].CC(C)(C)CO[C@@H](CO)[C@H](O)C[S+]1C[C@@H](O)[C@H](O)[C@H]1CO |r|
BDBM50180584 [Cl-].OC[C@H](OCc1ccccc1[N+]([O-])=O)[C@H](O)C[S+]1C[C@@H](O)[C@H](O)[C@H]1CO |r|
BDBM50180585 OC[C@H](OS([O-])(=O)=O)[C@H](O)C[S+]1C[C@@H](O)[C@H](O)[C@H]1CO |r|
BDBM50180586 OC[C@H](O)[C@H](O)C[S+]1C[C@@H](O)[C@H](O)[C@H]1CO
BDBM50016703 OC[C@H]1NC[C@@H](O)[C@@H]1O |r|
BDBM50024136 CC(C)(C)c1cc(CN[C@H]2C[C@](O)(CO)[C@@H](O)[C@H](O)[C@H]2O)cc(c1O)C(C)(C)C |r|
BDBM50024120 OC[C@@]1(O)C[C@H](NCc2cccs2)[C@H](O)[C@@H](O)[C@@H]1O |r|
BDBM50024133 OC[C@@]1(O)C[C@H](NC\C=C\c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O |r|
BDBM50024126 OC[C@@]1(O)C[C@H](NCc2cccnc2)[C@H](O)[C@@H](O)[C@@H]1O |r|
BDBM50024140 OCC(CO)N[C@H]1C[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
BDBM50024127 OC[C@@]1(O)C[C@H](N[C@H]2CCCC[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O |r|
BDBM50024114 OC[C@@]1(O)C[C@H](NCC2CCCCC2)[C@H](O)[C@@H](O)[C@@H]1O |r|
BDBM50024119 OC[C@@]1(O)C[C@H](N[C@@H]2CCCC[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O |r|
BDBM50024128 OC[C@@]1(O)C[C@H](NCc2ccc(Br)cc2)[C@H](O)[C@@H](O)[C@@H]1O |r|
BDBM50024117 OC[C@@]1(O)C[C@H](NC2CCCCC2)[C@H](O)[C@@H](O)[C@@H]1O |r|
BDBM50024139 OC[C@@]1(O)C[C@H](NCCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O |r|
BDBM50024122 OCC(CO)N[C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O |r,t:7|
BDBM50024118 [#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#7]-[#6@H]-1-[#6][C@]([#8])([#6]-[#8])[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]-1-[#8] |r|
BDBM50226273 OCN(CO)[C@H]1C[C@](O)(CO)[C@@H](O)[C@H](O)[C@H]1O |r|
BDBM50478873 [H][C@]12CC(=C)[C@]3(C)C(=O)[C@@](C)(OC(=O)[C@@]3([H])[C@]1(C)C(=O)C(O)=C1C(C)(C)C(=O)CC[C@]21C)C(=O)OC |r,t:23|
BDBM50478874 [H][C@@]12C(=O)O[C@@](C)(C(=O)OC)C(=O)[C@@]1(C)C(=C)C[C@]1(O)[C@@]3(C)CCC(=O)C(C)(C)C3=C(O)C(=O)[C@@]21C |r,t:31|
BDBM50478875 COc1cc(cc2OCOc12)-c1cc2O[C@]3(C)CC[C@@]4(O)C(C)(C)C=CC(=O)[C@]4(C)[C@@]3(O)Cc2c(=O)o1 |r,c:26|
BDBM50486898 [#6]\[#6](-[#6])=[#6]/[#6]-c1cc(cc(-[#8])c1-[#8])-c1oc2cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c2c(=O)c1-[#8]
BDBM50549691 [Cl-].CCCC[S@@+]1C[C@@H](O)[C@H](O)[C@H]1CO |r|
BDBM50549692 [Cl-].CCCCCCCCCCCCCC[S@@+]1C[C@@H](O)[C@H](O)[C@H]1CO |r|
BDBM50549693 [Cl-].CCCCCCCC[S@@+]1C[C@@H](O)[C@H](O)[C@H]1CO |r|
BDBM50549694 CCC[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|
BDBM50549695 CCCCCC[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|
BDBM50549696 CCCCCCCC[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|
BDBM50549697 CCCCCCCCCC[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|
BDBM50549698 CS([O-])(=O)=O.CCCCCCCC[C@@H](O)[C@H](O)[C@H](O)C[S@@+]1C[C@@H](O)[C@H](O)[C@H]1CO |r|
BDBM50549699 CS([O-])(=O)=O.CCC[C@@H](O)[C@H](O)[C@H](O)C[S@@+]1C[C@@H](O)[C@H](O)[C@H]1CO |r|
BDBM50550994 CCC(C)(C)c1c(O)cc(O)c2c1oc(-c1cc(O)c(O)c(C\C=C\C)c1)c(O)c2=O
BDBM50550995 COc1ccc(cc1O)[C@@H]1N[C@@H](CO)[C@H](O)[C@H]1O |r|
BDBM50550996 OC[C@@H]1N[C@H]([C@H](O)[C@H]1O)c1ccc(O)cc1 |r|
CHEMBL5289805 [#6]\[#6](-[#6])=[#6]\[#6]-c1c2-[#8]\[#6](=[#6]/c3ccc(-[#8])cc3)-[#6](=O)-c2ccc1-[#8]
CHEMBL5274141 CC(C)(O)[C@H]1Cc2ccc3C(=O)\C(Oc3c2C1)=C\c1ccc(O)c(O)c1 |r|
BDBM50573734 Cl.C[C@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O |r|
BDBM50582510 COc1ccc(cc1)-c1oc2cc(OC)cc(OC)c2c(=O)c1OCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO |r|
BDBM50582511 COc1ccc(cc1)-c1oc2cc(OC)cc(OC)c2c(=O)c1OCCCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO |r|
BDBM50582512 COc1ccc(cc1)-c1oc2cc(OC)cc(OC)c2c(=O)c1OCCCCCCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO |r|
BDBM50586762 [H][C@]12OC(=O)C(=C)[C@]1([H])[C@@H](C\C(CO)=C\CC\C(C)=C\2)OC(=O)C(\C)=C\C |r,t:14,19|
BDBM50586763 [H][C@]12OC(=O)C(=C)[C@]1([H])[C@@H](C\C(C)=C\CC\C(C)=C\2)OC(=O)C(\CO)=C/C |r,t:13,18|
BDBM50586766 [H][C@]12OC(=O)C(=C)[C@]1([H])[C@@H](C\C(CC(O)=O)=C\CC\C(C)=C\2)OC(=O)C(\C)=C\C |r,t:16,21|
BDBM50586767 [H][C@]12OC(=O)C(=C)[C@]1([H])[C@@H](C\C(C)=C\CC\C(C)=C\2)OC(=O)C(\CO)=C\C |r,t:13,18|
BDBM50586768 [H][C@]12OC(=O)C(=C)[C@]1([H])[C@@H](C\C(C)=C\CC\C(C)=C\2)OC(=O)C(\COC(C)=O)=C\C |r,t:13,18|
BDBM50586760 [H][C@]12OC(=O)C(=C)[C@]1([H])[C@@H](C\C(C)=C\C[C@H](O)\C(C)=C\2)OC(=O)C(\COC(C)=O)=C/C |r,t:13,19|
BDBM50586769 [H][C@]12OC(=O)C(=C)[C@]1([H])[C@@H](C\C(C)=C\CC\C(C)=C\2)OC(=O)C(\CO)=C\CO |r,t:13,18|
BDBM50586764 [H][C@]12OC(=O)C(=C)[C@]1([H])[C@@H](C\C(C)=C\[C@@H](O)C\C(C)=C\2)OC(=O)C(\CO)=C/C |r,t:13,19|
BDBM50586765 [H][C@]12OC(=O)C(=C)[C@]1([H])[C@@H](C\C(C)=C\[C@@H](O)C\C(C)=C\2)OC(=O)C(\COC(C)=O)=C/C |r,t:13,19|
BDBM50586761 [H][C@]12OC(=O)C(=C)[C@]1([H])[C@@H](C\C(C)=C\CC\C(C)=C\2)OC(=O)C(\CO)=C/COC(C)=O |r,t:13,18|
BDBM50590315 [#6]\[#6](-[#6])=[#6]/[#6]-c1cc(-[#6][C@]2([#8]-[#6](=O)-[#6](-[#8]C([#6])([#6])[#6@@H](-[#8])-[#6]-c3cc(-[#6][C@]4([#8]-[#6](=O)-[#6](-[#8])=[#6]4-c4ccc(-[#8])cc4)[#6](-[#8])=O)ccc3-[#8])=[#6]2-c2ccc(-[#8])cc2)[#6](-[#8])=O)ccc1-[#8] |r,c:30,48|
BDBM50590316 COc1cc2[C@@H](O)COC(=O)c2c(O)c1CO |r|
BDBM50591710 CC(C)c1nc2ccc(cc2[nH]c1=O)N1C(SCC1=O)c1ccc(cc1)[N+]([O-])=O
BDBM50591711 O=c1[nH]c2ccccc2nc1N\N=C\c1cccs1
BDBM50591712 COc1cccc(\C=N\Nc2nc3ccccc3[nH]c2=O)c1
BDBM50591716 Cc1ccc(NC(=O)Cn2c3ccccc3nc(C)c2=O)c(c1)[N+]([O-])=O
BDBM50591713 [O-][N+](=O)c1ccc(-c2ccc3n2c2ccccc2[nH]c3=O)c(c1)[N+]([O-])=O
BDBM50591714 Oc1ccc(-c2ccc3n2c2ccccc2[nH]c3=O)c(O)c1
BDBM50591717 Cc1nc2ccccc2n(CC(=O)N\N=C\c2ccc(OCCn3cc(CN4CCOCC4)nn3)cc2)c1=O
BDBM50591709 COc1ccc(cc1)C1SCC(=O)N1c1ccc2nc(Cc3ccc(O)cc3)c(=O)[nH]c2c1
BDBM50591718 Cc1nc2ccccc2n(CC(=O)N\N=C\c2ccc(OCCn3cc(CN4CCCCC4)nn3)cc2)c1=O
BDBM50591719 Cc1nc2ccccc2n(CC(=O)N\N=C\c2ccc(OCCn3cc(CN4CCCC4)nn3)cc2)c1=O
BDBM50591720 Cc1ccc(cc1)-n1cc(COc2ccc(\C=N\NC(=O)Cn3c4ccccc4nc(C)c3=O)cc2)nn1
BDBM50591715 Clc1ccc(cc1Cl)-c1ccc2n1c1ccccc1[nH]c2=O
BDBM50591707 COc1ccc(cc1)C(=O)Nc1cccc(c1)C(=O)\C=C1\Nc2ccccc2NC1=O
BDBM50591708 O=C(\C=C\c1ccccc1)/C=C1/Nc2ccccc2NC1=O
BDBM50595273 Brc1ccccc1-c1nnc(CSc2nc3cc(cc(CC=C)c3o2)-c2cc(CC=C)cc3nc(SCc4nnc(o4)-c4ccccc4Br)oc23)o1
BDBM50595274 Cc1ccccc1-c1nnc(CSc2nc3cc(cc(CC=C)c3o2)-c2cc(CC=C)cc3nc(SCc4nnc(o4)-c4ccccc4C)oc23)o1
BDBM50595275 Cc1cccc(c1)-c1nnc(CSc2nc3cc(cc(CC=C)c3o2)-c2cc(CC=C)cc3nc(SCc4nnc(o4)-c4cccc(C)c4)oc23)o1
BDBM50595276 COc1cccc(c1)-c1nnc(CSc2nc3cc(cc(CC=C)c3o2)-c2cc(CC=C)cc3nc(SCc4nnc(o4)-c4cccc(OC)c4)oc23)o1
BDBM50595277 COc1cccc(c1)-c1nnc(SCc2cc(CC=C)cc(c2O)-c2ccc(O)c(CC=C)c2)o1
BDBM50598568 Cc1cc-2c(-c3c(O)c4cccc(O)c4c4oc(=O)c(c-2c34)-c2ccc(O)cc2)c(O)c1
BDBM50598569 Cc1cc-2c(-c3c(O)c4cccc(O)c4c4oc(=O)c(-c5c[nH]c6ccccc56)c-2c34)c(O)c1 |(5.71,3.74,;4.17,3.74,;3.55,2.33,;2.02,2.17,;1.11,3.41,;-.35,2.93,;-1.7,3.7,;-1.7,5.24,;-3.03,2.93,;-4.37,3.71,;-5.71,2.93,;-5.71,1.38,;-4.36,.61,;-4.36,-.93,;-3.03,1.39,;-1.69,.61,;-1.69,-.94,;-.33,-1.7,;-.33,-3.24,;.99,-.92,;2.33,-1.69,;3.73,-1.07,;4.76,-2.21,;3.99,-3.54,;4.47,-5,;3.44,-6.15,;1.94,-5.83,;1.45,-4.37,;2.49,-3.22,;.99,.8,;-.35,1.39,;1.73,4.81,;.96,6.15,;3.26,4.98,)|
BDBM50598389 OC[C@@H]1NC[C@@H](O)[C@@H]1O |r|
BDBM50599811 [H][C@]12[C@]3([H])C(=O)C(CO)=C[C@]4(O)C(=O)C(C)=C[C@@]4([H])[C@@]3(O)[C@H](C)[C@@H](OC(=O)[C@@H](C)CC)[C@@]1(OC(=O)CC\C=C/C\C=C/CC)C2(C)C |r,c:8,15|
CHEMBL5271561 O=C(NCc1cccnc1)c1c(NC(=O)c2cccnc2)sc2CCCCc12
CHEMBL5281437 COc1ccc(CNC(=O)c2c(NC(=O)c3cccnc3)sc3CCCc23)cc1
CHEMBL5267745 O=C(NCc1ccccc1)c1c(NC(=O)c2cccnc2)sc2CCCc12
CHEMBL5283691 COc1cc(CNC(=O)c2c(NC(=O)c3cccnc3)sc3CCCc23)ccc1O
CHEMBL5273222 COc1cc(CNC(=O)c2c(NC(=O)c3cccnc3)sc3CCCCc23)ccc1O
CHEMBL5283357 COC(=O)c1ccc(CNC(=O)c2c(NC(=O)c3cccnc3)sc3CCCCc23)cc1
CHEMBL5268974 O=C(NCc1ccccc1)c1c(NC(=O)c2cccnc2)sc2CCCCCc12
CHEMBL5269761 COc1cc(CNC(=O)c2c(NC(=O)c3cccnc3)sc3CCCCCc23)ccc1O
CHEMBL5286422 COc1ccc(CNC(=O)c2c(NC(=O)c3cccnc3)sc3CCCCc23)cc1
CHEMBL5270418 O=C(NCc1ccccc1)c1c(NC(=O)c2cccnc2)sc2CCCCc12
CHEMBL5285158 O=C(NCc1ccccn1)c1c(NC(=O)c2cccnc2)sc2CCCCc12