pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.4	AttenGpKa training set	0	-1	CCOC(=O)[C@H](C)[N+](=O)[O-]	CCOC(=O)[C-](C)[N+](=O)[O-]	mol27423	CCOC(=O)C(C)[N+](=O)[O-]