pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.5	Datawarrior	2	1	[NH2+]=C(NO)c1ccccc1[NH3+]	Nc1ccccc1C(=[NH2+])NO,N=C(NO)c1ccccc1[NH3+]	mol6040	N=C(NO)c1ccccc1N
2.2	Datawarrior	2	1	[NH2+]=C(NO)c1ccccc1[NH3+]	Nc1ccccc1C(=[NH2+])NO,N=C(NO)c1ccccc1[NH3+]	mol6040	N=C(NO)c1ccccc1N
2.20000004768372	QSARToolbox	2	1	[NH2+]=C(NO)c1ccccc1[NH3+]	Nc1ccccc1C(=[NH2+])NO,N=C(NO)c1ccccc1[NH3+]	mol6040	N=C(NO)c1ccccc1N