pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.14	AttenGpKa training set	0	-1	CCOC(=O)C(C(=O)OCC)[N+](=O)[O-]	CCOC(=O)[C-](C(=O)OCC)[N+](=O)[O-]	mol27454	CCOC(=O)C(C(=O)OCC)[N+](=O)[O-]