pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.91	Datawarrior	0	-1	Cc1cc([N+](=O)[O-])ccc1C(=O)O	Cc1cc([N+](=O)[O-])ccc1C(=O)[O-]	mol1919	Cc1cc([N+](=O)[O-])ccc1C(=O)O
2.9100001	OCHEM	0	-1	Cc1cc([N+](=O)[O-])ccc1C(=O)O	Cc1cc([N+](=O)[O-])ccc1C(=O)[O-]	mol1919	Cc1cc([N+](=O)[O-])ccc1C(=O)O
2.95	OCHEM	0	-1	Cc1cc([N+](=O)[O-])ccc1C(=O)O	Cc1cc([N+](=O)[O-])ccc1C(=O)[O-]	mol1919	Cc1cc([N+](=O)[O-])ccc1C(=O)O
2.95000004768372	QSARToolbox	0	-1	Cc1cc([N+](=O)[O-])ccc1C(=O)O	Cc1cc([N+](=O)[O-])ccc1C(=O)[O-]	mol1919	Cc1cc([N+](=O)[O-])ccc1C(=O)O
2.86999988555908	QSARToolbox	0	-1	Cc1cc([N+](=O)[O-])ccc1C(=O)O	Cc1cc([N+](=O)[O-])ccc1C(=O)[O-]	mol1919	Cc1cc([N+](=O)[O-])ccc1C(=O)O