pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
12.8	Datawarrior	0	-1	NNC(=O)c1ccccc1N	[NH-]c1ccccc1C(=O)NN,N[N-]C(=O)c1ccccc1N	mol5257	NNC(=O)c1ccccc1N
3.47	Datawarrior	1	0	Nc1ccccc1C(=O)N[NH3+],NNC(=O)c1ccccc1[NH3+]	NNC(=O)c1ccccc1N	mol5257	NNC(=O)c1ccccc1N
1.85	Datawarrior	2	1	[NH3+]NC(=O)c1ccccc1[NH3+]	Nc1ccccc1C(=O)N[NH3+],NNC(=O)c1ccccc1[NH3+]	mol5257	NNC(=O)c1ccccc1N
1.85000002384186	QSARToolbox	2	1	[NH3+]NC(=O)c1ccccc1[NH3+]	Nc1ccccc1C(=O)N[NH3+],NNC(=O)c1ccccc1[NH3+]	mol5257	NNC(=O)c1ccccc1N