pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.39	Datawarrior	0	-1	O=C(c1ccccc1)c1cccc([N+](=O)[O-])c1C(=O)O	O=C(c1ccccc1)c1cccc([N+](=O)[O-])c1C(=O)[O-]	mol14759	O=C(c1ccccc1)c1cccc([N+](=O)[O-])c1C(=O)O
2.3900001	OCHEM	0	-1	O=C(c1ccccc1)c1cccc([N+](=O)[O-])c1C(=O)O	O=C(c1ccccc1)c1cccc([N+](=O)[O-])c1C(=O)[O-]	mol14759	O=C(c1ccccc1)c1cccc([N+](=O)[O-])c1C(=O)O
2.39000010490417	QSARToolbox	0	-1	O=C(c1ccccc1)c1cccc([N+](=O)[O-])c1C(=O)O	O=C(c1ccccc1)c1cccc([N+](=O)[O-])c1C(=O)[O-]	mol14759	O=C(c1ccccc1)c1cccc([N+](=O)[O-])c1C(=O)O