pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
-5.2	AttenGpKa training set	0	-1	COC(=O)[C@H](C#N)[N+](=O)[O-]	COC(=O)[C-](C#N)[N+](=O)[O-]	mol9149	COC(=O)C(C#N)[N+](=O)[O-]