pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.15	AttenGpKa training set	0	-1	COc1ccc(C(=O)N(O)c2ccccc2)cc1	COc1ccc(C(=O)N([O-])c2ccccc2)cc1	mol11968	COc1ccc(C(=O)N(O)c2ccccc2)cc1