pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.5	QSARToolbox	0	-1	Cc1cc([N+](=O)[O-])c(C(C)C)c([N+](=O)[O-])c1O	Cc1cc([N+](=O)[O-])c(C(C)C)c([N+](=O)[O-])c1[O-]	mol30767	Cc1cc([N+](=O)[O-])c(C(C)C)c([N+](=O)[O-])c1O