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102 SMILES Strings for 2,3-dihydroxybenzoate-AMP ligase

Compound NameSMILES String
BDBM50244934 Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)[N-]C(=O)c2ccccc2O)[C@@H](O)[C@H]1O)-c1ccccc1 |r|
BDBM50324670 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)c2ccccc2O)[C@@H](O)[C@H]1O |r|
BDBM50411234 Nc1ncnc2ncn([C@@H]3O[C@H](COS(=O)(=O)NC(=O)c4ccccc4O)[C@@H](O)[C@H]3O)c12 |r|
BDBM50411235 Nc1ncnc2ncn(C3CC(O)C(COS(=O)(=O)NC(=O)c4ccccc4O)O3)c12
BDBM50411236 Nc1ncnc2ncn([C@@H]3O[C@H](CNS(=O)(=O)NC(=O)c4ccccc4O)[C@@H](O)[C@H]3O)c12 |r|
BDBM50411237 Nc1ncnc2ncn(COCCOS(=O)(=O)NC(=O)c3ccccc3O)c12
BDBM50411238 Nc1ncnc2ncn([C@H]3CC[C@@H](COS(=O)(=O)NC(=O)c4ccccc4O)C3)c12 |r|
BDBM50411239 Nc1ncnc2ncn([C@@H]3C[C@H](COS(=O)(=O)NC(=O)c4ccccc4O)[C@@H](O)[C@H]3O)c12 |r|
BDBM50411240 Nc1ncnc2ncn([C@@H]3C[C@H](COS(=O)(=O)NC(=O)c4ccccc4O)C=C3)c12 |r,c:28|
BDBM50411241 Nc1ncnc2ncn([C@@H]3O[C@H](COS(=O)(=O)NC(=O)c4ccccc4O)C[C@H]3O)c12 |r|
BDBM50412360 Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)[N-]C(=O)c2ccccc2O)[C@@H](O)[C@H]1O)-c1ccc(cc1)-c1ccccc1 |r|
BDBM50412833 CCCCCCc1cn(nn1)-c1nc(N)c2ncn(C3OC(COS(=O)(=O)NC(=O)c4ccccc4O)C(O)C3O)c2n1
BDBM50412361 Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)[N-]C(=O)c2ccccc2O)[C@@H](O)[C@H]1O)-c1cccc(c1)-c1ccccc1 |r|
BDBM50412362 Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)[N-]C(=O)c2ccccc2O)[C@@H](O)[C@H]1O)-c1ccccc1-c1ccccc1 |r|
BDBM50412363 Nc1nc(Nc2ccccc2)nc2n(cnc12)C1OC(COS(=O)(=O)NC(=O)c2ccccc2O)C(O)C1O
BDBM50412364 Nc1nc(I)nc2n(cnc12)C1OC(COS(=O)(=O)NC(=O)c2ccccc2O)C(O)C1O
BDBM50412365 Nc1nc2c(N)ncnc2n1C1OC(COS(=O)(=O)NC(=O)c2ccccc2O)C(O)C1O
BDBM50412366 Nc1ncnc2n(C3OC(COS(=O)(=O)NC(=O)c4ccccc4O)C(O)C3O)c(N=[N+]=[N-])nc12
BDBM50412367 Nc1ncnc2n(C3OC(COS(=O)(=O)NC(=O)c4ccccc4O)C(O)C3O)c(Br)nc12
BDBM50412368 O[C@@H]1[C@@H](COS(=O)(=O)[N-]C(=O)c2ccccc2O)O[C@H]([C@@H]1O)n1cnc2c(NCc3ccccc3)ncnc12 |r|
BDBM50412369 O[C@@H]1[C@@H](COS(=O)(=O)[N-]C(=O)c2ccccc2O)O[C@H]([C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 |r|
BDBM50412370 O[C@@H]1[C@@H](COS(=O)(=O)[N-]C(=O)c2ccccc2O)O[C@H]([C@@H]1O)n1cnc2c(NC3CCC3)ncnc12 |r|
BDBM50412371 OC1C(COS(=O)(=O)NC(=O)c2ccccc2O)OC(C1O)n1cnc2c(NC3CC3)ncnc12
BDBM50412372 CC(C)CNc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)[N-]C(=O)c2ccccc2O)[C@@H](O)[C@H]1O |r|
BDBM50412373 CC(C)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)[N-]C(=O)c2ccccc2O)[C@@H](O)[C@H]1O |r|
BDBM50412374 CCCNc1ncnc2n(cnc12)C1OC(COS(=O)(=O)NC(=O)c2ccccc2O)C(O)C1O
BDBM50412375 CNc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)[N-]C(=O)c2ccccc2O)[C@@H](O)[C@H]1O |r|
BDBM50412376 CN(C)c1ncnc2n(cnc12)C1OC(COS(=O)(=O)NC(=O)c2ccccc2O)C(O)C1O
BDBM50412377 Nc1cccc2n(ccc12)C1CC(COS(=O)(=O)NC(=O)c2ccccc2O)C(O)C1O
BDBM50412378 Nc1ncnc2n(ccc12)C1OC(COS(=O)(=O)NC(=O)c2ccccc2O)C(O)C1O
BDBM50412379 Nc1ncnc2n(cnc12)C1OC(COS(=O)(=O)NC(=O)c2ccccc2O)C(O)C1O
BDBM50412380 CCNc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)[N-]C(=O)c2ccccc2O)[C@@H](O)[C@H]1O |r|
BDBM50412381 OC1C(COS(=O)(=O)NC(=O)c2ccccc2O)OC(C1O)n1cnc2c1nc[nH]c2=O
BDBM50412382 Nc1nc(nc2n(cnc12)C1OC(COS(=O)(=O)NC(=O)c2ccccc2O)C(O)C1O)C#Cc1ccccc1
BDBM50412834 CCCCCc1cn(nn1)-c1nc(N)c2ncn(C3OC(COS(=O)(=O)NC(=O)c4ccccc4O)C(O)C3O)c2n1
BDBM50412818 Nc1ccccc1-c1cn(nn1)-c1nc(N)c2ncn(C3OC(COS(=O)(=O)NC(=O)c4ccccc4O)C(O)C3O)c2n1
BDBM50412819 Cc1ccc(cc1)-c1cn(nn1)-c1nc(N)c2ncn(C3OC(COS(=O)(=O)NC(=O)c4ccccc4O)C(O)C3O)c2n1
BDBM50412835 CCCCc1cn(nn1)-c1nc(N)c2ncn(C3OC(COS(=O)(=O)NC(=O)c4ccccc4O)C(O)C3O)c2n1
BDBM50412836 CCCc1cn(nn1)-c1nc(N)c2ncn(C3OC(COS(=O)(=O)NC(=O)c4ccccc4O)C(O)C3O)c2n1
BDBM50412837 CCOC(=O)c1cn(nn1)-c1nc(N)c2ncn(C3OC(COS(=O)(=O)NC(=O)c4ccccc4O)C(O)C3O)c2n1
BDBM50412838 COC(=O)c1cn(nn1)-c1nc(N)c2ncn(C3OC(COS(=O)(=O)NC(=O)c4ccccc4O)C(O)C3O)c2n1
BDBM50412839 Nc1nc(nc2n(cnc12)C1OC(COS(=O)(=O)NC(=O)c2ccccc2O)C(O)C1O)-n1cc(CO)nn1
BDBM50412840 Nc1nc(N=[N+]=[N-])nc2n(cnc12)C1OC(COS(=O)(=O)NC(=O)c2ccccc2O)C(O)C1O
BDBM50412841 Nc1nc(nc2n(cnc12)C1OC(COS(=O)(=O)NC(=O)c2ccccc2O)C(O)C1O)-n1cc(nn1)-c1ccc(O)cc1
BDBM50412842 Nc1nc(nc2n(cnc12)C1OC(COS(=O)(=O)NC(=O)c2ccccc2O)C(O)C1O)-n1cc(nn1)-c1ccccc1O
BDBM50412843 Nc1nc(nc2n(cnc12)C1OC(COS(=O)(=O)NC(=O)c2ccccc2O)C(O)C1O)-n1cc(nn1)-c1ccncc1
BDBM50412844 Nc1nc(nc2n(cnc12)C1OC(COS(=O)(=O)NC(=O)c2ccccc2O)C(O)C1O)-n1cc(nn1)-c1cccnc1
BDBM50412845 Nc1nc(nc2n(cnc12)C1OC(COS(=O)(=O)NC(=O)c2ccccc2O)C(O)C1O)-n1cc(nn1)-c1ccccn1
BDBM50412846 Nc1ccc(cc1)-c1cn(nn1)-c1nc(N)c2ncn(C3OC(COS(=O)(=O)NC(=O)c4ccccc4O)C(O)C3O)c2n1
BDBM50412847 Nc1cccc(c1)-c1cn(nn1)-c1nc(N)c2ncn(C3OC(COS(=O)(=O)NC(=O)c4ccccc4O)C(O)C3O)c2n1
BDBM50412820 Cc1cccc(c1)-c1cn(nn1)-c1nc(N)c2ncn(C3OC(COS(=O)(=O)NC(=O)c4ccccc4O)C(O)C3O)c2n1
BDBM50412821 Cc1ccccc1-c1cn(nn1)-c1nc(N)c2ncn(C3OC(COS(=O)(=O)NC(=O)c4ccccc4O)C(O)C3O)c2n1
BDBM50412822 Nc1nc(nc2n(cnc12)C1OC(COS(=O)(=O)NC(=O)c2ccccc2O)C(O)C1O)-n1cc(nn1)-c1ccccc1
BDBM50413186 Nc1ncnc2n(cnc12)C1OC(CNS(=O)(=O)NC(=O)c2ccccc2O)C(O)C1O
BDBM50413187 Nc1ncnc2n(cnc12)C1OC(COS(=O)(=O)NCc2ccccc2O)C(O)C1O
BDBM50413188 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)CC(=O)c2ccccc2O)[C@@H](O)[C@H]1O |r|
BDBM50413189 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CNS(=O)(=O)\C=C\c2ccccc2O)[C@@H](O)[C@H]1O |r|
BDBM50413190 Nc1ncnc2n(cnc12)C1CC(COS(=O)(=O)NC(=O)c2ccccc2O)C(O)C1O
BDBM50413191 Nc1ncnc2n(cnc12)C1CC(O)C(COS(=O)(=O)NC(=O)c2ccccc2O)O1
BDBM50413192 Nc1ncnc2n(cnc12)C1OC(COS(=O)(=O)NC(=O)c2ccccc2O)CC1O
BDBM50413193 Nc1ncnc2n(cnc12)C1CC(COS(=O)(=O)NC(=O)c2ccccc2O)C=C1 |c:31|
BDBM50413194 Nc1ncnc2n(cnc12)C1CCC(COS(=O)(=O)NC(=O)c2ccccc2O)C1
BDBM50412823 Nc1nc(nc2n(cnc12)C1OC(COS(=O)(=O)NC(=O)c2ccccc2O)C(O)C1O)-n1cc(nn1)C1=CCCCC1 |t:42|
BDBM50412824 Nc1nc(nc2n(cnc12)C1OC(COS(=O)(=O)NC(=O)c2ccccc2O)C(O)C1O)-n1cc(nn1)C1CCCCC1
BDBM50412825 Nc1nc(nc2n(cnc12)C1OC(COS(=O)(=O)NC(=O)c2ccccc2O)C(O)C1O)-n1cc(nn1)C1CCCC1
BDBM50412826 Nc1nc(nc2n(cnc12)C1OC(COS(=O)(=O)NC(=O)c2ccccc2O)C(O)C1O)-n1cc(nn1)C1CC1
BDBM50412827 CC(C)(C)c1cn(nn1)-c1nc(N)c2ncn(C3OC(COS(=O)(=O)NC(=O)c4ccccc4O)C(O)C3O)c2n1
BDBM50412828 CC(C)Cc1cn(nn1)-c1nc(N)c2ncn(C3OC(COS(=O)(=O)NC(=O)c4ccccc4O)C(O)C3O)c2n1
BDBM50412829 CCCCCCCCCCCCc1cn(nn1)-c1nc(N)c2ncn(C3OC(COS(=O)(=O)NC(=O)c4ccccc4O)C(O)C3O)c2n1
BDBM50412830 CCCCCCCCCCc1cn(nn1)-c1nc(N)c2ncn(C3OC(COS(=O)(=O)NC(=O)c4ccccc4O)C(O)C3O)c2n1
BDBM50412848 Nc1nc(nc2n(cnc12)C1OC(COS(=O)(=O)NC(=O)c2ccccc2O)C(O)C1O)-n1cc(nn1)-c1cccc(O)c1
BDBM50412831 CCCCCCCCc1cn(nn1)-c1nc(N)c2ncn(C3OC(COS(=O)(=O)NC(=O)c4ccccc4O)C(O)C3O)c2n1
BDBM50411446 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)c2ccc(cc2O)C(F)(F)F)[C@@H](O)[C@H]1O |r|
BDBM50411447 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)C2CCCC2)[C@@H](O)[C@H]1O |r|
BDBM50411448 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)c2ccc(Br)cc2O)[C@@H](O)[C@H]1O |r|
BDBM50411449 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CNC(=O)c2coc3ccccc3c2=O)[C@@H](O)[C@H]1O
BDBM50411450 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)C2CCCCC2)[C@@H](O)[C@H]1O |r|
BDBM50411451 Nc1ccc(C(=O)NS(=O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)c(O)c1 |r|
BDBM50411452 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)c2ccc(O)c(O)c2)[C@@H](O)[C@H]1O |r|
BDBM50411453 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)c2ccccc2[N+]([O-])=O)[C@@H](O)[C@H]1O |r|
BDBM50411454 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)c2ccccc2Cl)[C@@H](O)[C@H]1O |r|
BDBM50411455 COC(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
BDBM50411456 Cc1ccc(C(=O)NS(=O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)c(O)c1 |r|
BDBM50411457 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)c2c(O)cccc2F)[C@@H](O)[C@H]1O |r|
BDBM50411458 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)c2ccccc2)[C@@H](O)[C@H]1O |r|
BDBM50411459 N[C@@H](Cc1ccccc1)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
BDBM50411460 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)c2cccnc2Cl)[C@@H](O)[C@H]1O |r|
BDBM50411461 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)c2ccc[nH]c2=O)[C@@H](O)[C@H]1O |r|
BDBM50411462 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)c2cccnc2F)[C@@H](O)[C@H]1O |r|
BDBM50411463 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)c2c(F)c(F)c(N=[N+]=[N-])c(F)c2F)[C@@H](O)[C@H]1O |r|
BDBM50411464 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CNC(=O)NC(=O)c2ccccc2O)[C@@H](O)[C@H]1O |r|
BDBM50411465 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)Cc2ccccc2)[C@@H](O)[C@H]1O |r|
BDBM50411466 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)c2ccccc2F)[C@@H](O)[C@H]1O |r|
BDBM50411467 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)c2cccc(Cl)c2O)[C@@H](O)[C@H]1O |r|
BDBM50411468 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)c2cc(Cl)ccc2O)[C@@H](O)[C@H]1O |r|
BDBM50411469 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)N2CCOCC2)[C@@H](O)[C@H]1O |r|
BDBM50411470 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)c2cccc(O)c2O)[C@@H](O)[C@H]1O |r|
BDBM50411471 Nc1ccccc1C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
BDBM50411472 CC(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
BDBM50411473 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)c2ccc(Cl)cc2O)[C@@H](O)[C@H]1O |r|
BDBM50411474 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)c2ccc(F)cc2O)[C@@H](O)[C@H]1O |r|
BDBM50412832 CCCCCCCc1cn(nn1)-c1nc(N)c2ncn(C3OC(COS(=O)(=O)NC(=O)c4ccccc4O)C(O)C3O)c2n1