pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
-0.8	OCHEM	0	-1	O=C1C(O)=C([N+](=O)[O-])C(=O)C(O)=C1[N+](=O)[O-]	O=C1C(O)=C([N+](=O)[O-])C(=O)C([O-])=C1[N+](=O)[O-]	mol9611	O=C1C(O)=C([N+](=O)[O-])C(=O)C(O)=C1[N+](=O)[O-]
-2.7	OCHEM	0	-1	O=C1C(O)=C([N+](=O)[O-])C(=O)C(O)=C1[N+](=O)[O-]	O=C1C(O)=C([N+](=O)[O-])C(=O)C([O-])=C1[N+](=O)[O-]	mol9611	O=C1C(O)=C([N+](=O)[O-])C(=O)C(O)=C1[N+](=O)[O-]
-3.0	AttenGpKa training set	0	-1	O=C1C(O)=C([N+](=O)[O-])C(=O)C(O)=C1[N+](=O)[O-]	O=C1C(O)=C([N+](=O)[O-])C(=O)C([O-])=C1[N+](=O)[O-]	mol9611	O=C1C(O)=C([N+](=O)[O-])C(=O)C(O)=C1[N+](=O)[O-]
-0.5	AttenGpKa training set	0	-1	O=C1C(O)=C([N+](=O)[O-])C(=O)C(O)=C1[N+](=O)[O-]	O=C1C(O)=C([N+](=O)[O-])C(=O)C([O-])=C1[N+](=O)[O-]	mol9611	O=C1C(O)=C([N+](=O)[O-])C(=O)C(O)=C1[N+](=O)[O-]