pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.35	Datawarrior	1	0	C[N+](C)(C)c1cc([N+](=O)[O-])ccc1O	C[N+](C)(C)c1cc([N+](=O)[O-])ccc1[O-]	mol13244	C[N+](C)(C)c1cc([N+](=O)[O-])ccc1O
4.3499999	OCHEM	1	0	C[N+](C)(C)c1cc([N+](=O)[O-])ccc1O	C[N+](C)(C)c1cc([N+](=O)[O-])ccc1[O-]	mol13244	C[N+](C)(C)c1cc([N+](=O)[O-])ccc1O
4.34999990463257	QSARToolbox	1	0	C[N+](C)(C)c1cc([N+](=O)[O-])ccc1O	C[N+](C)(C)c1cc([N+](=O)[O-])ccc1[O-]	mol13244	C[N+](C)(C)c1cc([N+](=O)[O-])ccc1O