pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.68	Datawarrior	0	-1	O=C(O)c1sccc1[N+](=O)[O-]	O=C([O-])c1sccc1[N+](=O)[O-]	mol14204	O=C(O)c1sccc1[N+](=O)[O-]
2.6800001	OCHEM	0	-1	O=C(O)c1sccc1[N+](=O)[O-]	O=C([O-])c1sccc1[N+](=O)[O-]	mol14204	O=C(O)c1sccc1[N+](=O)[O-]
2.6800000667572	QSARToolbox	0	-1	O=C(O)c1sccc1[N+](=O)[O-]	O=C([O-])c1sccc1[N+](=O)[O-]	mol14204	O=C(O)c1sccc1[N+](=O)[O-]