pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.35	IUPAC digitized pKa	1	0	[NH2+]=C(CCNc1ccccc1)NO	[NH2+]=C(CCNc1ccccc1)N[O-],N=C(CCNc1ccccc1)NO	mol6041	N=C(CCNc1ccccc1)NO
2.45	IUPAC digitized pKa	2	1	[NH2+]=C(CC[NH2+]c1ccccc1)NO	[NH2+]=C(CCNc1ccccc1)NO	mol6041	N=C(CCNc1ccccc1)NO
5.35	Datawarrior	2	1	[NH2+]=C(CC[NH2+]c1ccccc1)NO	[NH2+]=C(CCNc1ccccc1)NO	mol6041	N=C(CCNc1ccccc1)NO
5.3499999	OCHEM	2	1	[NH2+]=C(CC[NH2+]c1ccccc1)NO	[NH2+]=C(CCNc1ccccc1)NO	mol6041	N=C(CCNc1ccccc1)NO
2.45000004768372	QSARToolbox	2	1	[NH2+]=C(CC[NH2+]c1ccccc1)NO	[NH2+]=C(CCNc1ccccc1)NO	mol6041	N=C(CCNc1ccccc1)NO