pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.62	AttenGpKa training set	0	-1	NC(=O)[C@@H]1C(=O)NC(=O)[C@H]1c1ccccc1	[NH-]C(=O)[C@@H]1C(=O)NC(=O)[C@H]1c1ccccc1,NC(=O)[C-]1C(=O)NC(=O)[C@H]1c1ccccc1,NC(=O)[C@@H]1C(=O)[N-]C(=O)[C@H]1c1ccccc1,NC(=O)[C@@H]1C(=O)NC(=O)[C-]1c1ccccc1	mol11563	NC(=O)C1C(=O)NC(=O)C1c1ccccc1