pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.6	Datawarrior	1	0	C[NH+](C)CCCC(=O)Oc1ccc([N+](=O)[O-])cc1	CN(C)CCCC(=O)Oc1ccc([N+](=O)[O-])cc1	mol14862	CN(C)CCCC(=O)Oc1ccc([N+](=O)[O-])cc1
9.6000004	OCHEM	1	0	C[NH+](C)CCCC(=O)Oc1ccc([N+](=O)[O-])cc1	CN(C)CCCC(=O)Oc1ccc([N+](=O)[O-])cc1	mol14862	CN(C)CCCC(=O)Oc1ccc([N+](=O)[O-])cc1
9.60000038146973	QSARToolbox	1	0	C[NH+](C)CCCC(=O)Oc1ccc([N+](=O)[O-])cc1	CN(C)CCCC(=O)Oc1ccc([N+](=O)[O-])cc1	mol14862	CN(C)CCCC(=O)Oc1ccc([N+](=O)[O-])cc1