pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.8899998664856	QSARToolbox	-1	-2	O=C([N-]O)c1cc([N+](=O)[O-])ccc1O,O=C(NO)c1cc([N+](=O)[O-])ccc1[O-],O=C(N[O-])c1cc([N+](=O)[O-])ccc1O	O=C([N-][O-])c1cc([N+](=O)[O-])ccc1O	mol31437	O=C(NO)c1cc([N+](=O)[O-])ccc1O
6.89	AttenGpKa training set	-1	-2	O=C([N-]O)c1cc([N+](=O)[O-])ccc1O,O=C(NO)c1cc([N+](=O)[O-])ccc1[O-],O=C(N[O-])c1cc([N+](=O)[O-])ccc1O	O=C([N-][O-])c1cc([N+](=O)[O-])ccc1O	mol31437	O=C(NO)c1cc([N+](=O)[O-])ccc1O