pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.7	Baltruschat ChEMBL	-1	-2	O=C1NC(=O)/C(=C/c2ccc(-c3ccc(O)cc3[O-])o2)S1,O=C1NC(=O)/C(=C/c2ccc(-c3ccc([O-])cc3O)o2)S1	O=C1NC(=O)/C(=C/c2ccc(-c3ccc([O-])cc3[O-])o2)S1	mol17816	O=C1NC(=O)/C(=C/c2ccc(-c3ccc(O)cc3O)o2)S1