pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.18	Datawarrior	1	0	CCCCNc1cc[nH+]c2cccc([N+](=O)[O-])c12,CCCC[NH2+]c1ccnc2cccc([N+](=O)[O-])c12	CCCCNc1ccnc2cccc([N+](=O)[O-])c12	mol14978	CCCCNc1ccnc2cccc([N+](=O)[O-])c12
7.1799998	OCHEM	1	0	CCCCNc1cc[nH+]c2cccc([N+](=O)[O-])c12,CCCC[NH2+]c1ccnc2cccc([N+](=O)[O-])c12	CCCCNc1ccnc2cccc([N+](=O)[O-])c12	mol14978	CCCCNc1ccnc2cccc([N+](=O)[O-])c12
7.17999982833862	QSARToolbox	1	0	CCCCNc1cc[nH+]c2cccc([N+](=O)[O-])c12,CCCC[NH2+]c1ccnc2cccc([N+](=O)[O-])c12	CCCCNc1ccnc2cccc([N+](=O)[O-])c12	mol14978	CCCCNc1ccnc2cccc([N+](=O)[O-])c12