pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.62	AttenGpKa training set	0	-1	COc1ccc(NC(=O)CC(C)=O)cc1	COc1ccc([N-]C(=O)CC(C)=O)cc1,COc1ccc(NC(=O)[CH-]C(C)=O)cc1	mol23901	COc1ccc(NC(=O)CC(C)=O)cc1