pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.6	Baltruschat ChEMBL	0	-1	O=C1O[C@@H]([C@@H](O)CO)C(OCCCOc2no[n+]([O-])c2-c2ccccc2)=C1O	O=C1O[C@@H]([C@@H](O)CO)C(OCCCOc2no[n+]([O-])c2-c2ccccc2)=C1[O-]	mol20467	O=C1OC(C(O)CO)C(OCCCOc2no[n+]([O-])c2-c2ccccc2)=C1O