Browse Molecules

Molecule ID SMILES Charge States Microspecies
mol16601 COc1ccc2[nH]c([S+]([O-])Cc3ncc(C)c(OC)c3C)nc2c1 4 5
mol16602 COc1ccc2[nH]c([S@@+]([O-])Cc3ncc(C)c(OC)c3C)nc2c1 2 3
mol16603 COCCCOc1ccnc(C[S+]([O-])c2nc3ccccc3[nH]2)c1C 4 5
mol16604 Cc1c(OCC(F)(F)F)ccnc1C[S+]([O-])c1nc2ccccc2[nH]1 4 5
mol16605 COc1ccnc(C[S+]([O-])c2nc3cc(OC(F)F)ccc3[nH]2)c1OC 3 4
mol16606 O=c1cc(-c2ccccc2)oc2cc(O)c(O)cc12 2 3
mol16607 O=c1cc(-c2ccccc2)oc2cc(O)c([N+](=O)[O-])cc12 2 2
mol16608 COC(=O)C(Cc1ccc(O)cc1)NC(=O)CN(CCN(CC(=O)O)CC(=O)NC(Cc1ccc(O)cc1)C(=O)OC)CC(=O)O 2 3
mol16609 COC(=O)c1nc(-c2ccncc2)[nH]c1C(=O)OC 3 4
mol16610 FC(F)(F)c1cnc(-c2ccncc2)[nH]1 3 4
mol16611 FC(F)(F)c1cnc(-c2cccnc2)[nH]1 3 4
mol16612 Clc1ccc2[nH]c(-c3ccncc3)nc2c1 4 5
mol16613 Clc1cc2nc(-c3ccncc3)[nH]c2cc1Cl 4 5
mol16614 COCCNCc1cc2cc(S(N)(=O)=O)sc2s1 2 2
mol16615 COCCN(CCOC)Cc1cc2cc(S(N)(=O)=O)sc2s1 2 2
mol16616 CC(C)CNCc1cc2sc(S(N)(=O)=O)cc2s1 2 2
mol16617 NS(=O)(=O)c1cc2cc(CN3CCOCC3)sc2s1 2 2
mol16618 COCCOCCNC(C)c1cc2cc(S(N)(=O)=O)sc2s1 2 2
mol16619 CNCc1cc2cc(S(N)(=O)=O)sc2s1 2 2
mol16620 NS(=O)(=O)c1cc2cc(CN(CCO)CCO)sc2s1 2 2