pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.07	Baltruschat ChEMBL	0	-1	NC(=O)c1c(COC2=C(O)C(=O)O[C@H]2[C@@H](O)CO)no[n+]1[O-]	NC(=O)c1c([CH-]OC2=C(O)C(=O)O[C@H]2[C@@H](O)CO)no[n+]1[O-],NC(=O)c1c(COC2=C([O-])C(=O)O[C@H]2[C@@H](O)CO)no[n+]1[O-]	mol20468	NC(=O)c1c(COC2=C(O)C(=O)OC2C(O)CO)no[n+]1[O-]