pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.03	Datawarrior	0	-1	Cc1ccc(O)cc1Cc1cc([N+](=O)[O-])ccc1O	Cc1ccc(O)cc1Cc1cc([N+](=O)[O-])ccc1[O-],Cc1ccc([O-])cc1Cc1cc([N+](=O)[O-])ccc1O	mol15477	Cc1ccc(O)cc1Cc1cc([N+](=O)[O-])ccc1O
7.0300002	OCHEM	0	-1	Cc1ccc(O)cc1Cc1cc([N+](=O)[O-])ccc1O	Cc1ccc(O)cc1Cc1cc([N+](=O)[O-])ccc1[O-],Cc1ccc([O-])cc1Cc1cc([N+](=O)[O-])ccc1O	mol15477	Cc1ccc(O)cc1Cc1cc([N+](=O)[O-])ccc1O
10.35	Datawarrior	-1	-2	Cc1ccc(O)cc1Cc1cc([N+](=O)[O-])ccc1[O-],Cc1ccc([O-])cc1Cc1cc([N+](=O)[O-])ccc1O	Cc1ccc([O-])cc1Cc1cc([N+](=O)[O-])ccc1[O-]	mol15477	Cc1ccc(O)cc1Cc1cc([N+](=O)[O-])ccc1O
10.3500003814697	QSARToolbox	-1	-2	Cc1ccc(O)cc1Cc1cc([N+](=O)[O-])ccc1[O-],Cc1ccc([O-])cc1Cc1cc([N+](=O)[O-])ccc1O	Cc1ccc([O-])cc1Cc1cc([N+](=O)[O-])ccc1[O-]	mol15477	Cc1ccc(O)cc1Cc1cc([N+](=O)[O-])ccc1O