pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.9	AttenGpKa training set	0	-1	O=C(O)[C@H]1C(=O)NC(=O)[C@@H]1c1ccccc1	O=C([O-])[C@H]1C(=O)NC(=O)[C@@H]1c1ccccc1	mol11555	O=C(O)C1C(=O)NC(=O)C1c1ccccc1
8.92	AttenGpKa training set	-1	-2	O=C([O-])[C@H]1C(=O)NC(=O)[C@@H]1c1ccccc1	O=C1NC(=O)[C@H](C(=O)[O-])[C-]1c1ccccc1,O=C([O-])[C@H]1C(=O)[N-]C(=O)[C@@H]1c1ccccc1	mol11555	O=C(O)C1C(=O)NC(=O)C1c1ccccc1