pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.94	AttenGpKa training set	0	-1	C[C@]1(c2cccc3ccccc23)C(=O)NC(=O)[C@H]1C(=O)O	C[C@]1(c2cccc3ccccc23)C(=O)NC(=O)[C@H]1C(=O)[O-]	mol12079	CC1(c2cccc3ccccc23)C(=O)NC(=O)C1C(=O)O
8.93	AttenGpKa training set	-1	-2	C[C@]1(c2cccc3ccccc23)C(=O)NC(=O)[C@H]1C(=O)[O-]	C[C@]1(c2cccc3ccccc23)C(=O)[N-]C(=O)[C@H]1C(=O)[O-]	mol12079	CC1(c2cccc3ccccc23)C(=O)NC(=O)C1C(=O)O