pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.48	AttenGpKa training set	0	-1	CCOC(=O)Oc1cc([N+](=O)[O-])ccc1O	CCOC(=O)Oc1cc([N+](=O)[O-])ccc1[O-]	mol30711	CCOC(=O)Oc1cc([N+](=O)[O-])ccc1O