pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.62	Organic Oxygen Acids and Nitrogen Bases	0	-1	CC[C@H](C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O	CC[C@H](C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1[O-]	mol21723	CCC(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O
4.61999988555908	QSARToolbox	0	-1	CC[C@H](C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O	CC[C@H](C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1[O-]	mol21723	CCC(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O