pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.9	AttenGpKa training set	0	-1	CC[C@@]1(c2ccccc2)C(=O)NC(=O)[C@H]1C(=O)O	CC[C@@]1(c2ccccc2)C(=O)NC(=O)[C@H]1C(=O)[O-]	mol11874	CCC1(c2ccccc2)C(=O)NC(=O)C1C(=O)O
8.95	AttenGpKa training set	-1	-2	CC[C@@]1(c2ccccc2)C(=O)NC(=O)[C@H]1C(=O)[O-]	CC[C@@]1(c2ccccc2)C(=O)[N-]C(=O)[C@H]1C(=O)[O-]	mol11874	CCC1(c2ccccc2)C(=O)NC(=O)C1C(=O)O