pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.07	Datawarrior	1	0	C[NH+](C)CCCCC(=O)Oc1cccc([N+](=O)[O-])c1	CN(C)CCCCC(=O)Oc1cccc([N+](=O)[O-])c1	mol15573	CN(C)CCCCC(=O)Oc1cccc([N+](=O)[O-])c1
10.0699996948242	QSARToolbox	1	0	C[NH+](C)CCCCC(=O)Oc1cccc([N+](=O)[O-])c1	CN(C)CCCCC(=O)Oc1cccc([N+](=O)[O-])c1	mol15573	CN(C)CCCCC(=O)Oc1cccc([N+](=O)[O-])c1