pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.16	AttenGpKa training set	0	-1	CC(C)(C(=O)O)C(C)([N+](=O)[O-])[N+](=O)[O-]	CC(C)(C(=O)[O-])C(C)([N+](=O)[O-])[N+](=O)[O-]	mol22462	CC(C)(C(=O)O)C(C)([N+](=O)[O-])[N+](=O)[O-]