pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
12.45	Datawarrior	0	-1	NNC(=O)c1cccc(N)c1	N[N-]C(=O)c1cccc(N)c1	mol5261	NNC(=O)c1cccc(N)c1
3.75	Datawarrior	1	0	Nc1cccc(C(=O)N[NH3+])c1,NNC(=O)c1cccc([NH3+])c1	NNC(=O)c1cccc(N)c1	mol5261	NNC(=O)c1cccc(N)c1
2.57	Datawarrior	2	1	[NH3+]NC(=O)c1cccc([NH3+])c1	Nc1cccc(C(=O)N[NH3+])c1,NNC(=O)c1cccc([NH3+])c1	mol5261	NNC(=O)c1cccc(N)c1
3.1600001	OCHEM	2	1	[NH3+]NC(=O)c1cccc([NH3+])c1	Nc1cccc(C(=O)N[NH3+])c1,NNC(=O)c1cccc([NH3+])c1	mol5261	NNC(=O)c1cccc(N)c1
2.5699999332428	QSARToolbox	2	1	[NH3+]NC(=O)c1cccc([NH3+])c1	Nc1cccc(C(=O)N[NH3+])c1,NNC(=O)c1cccc([NH3+])c1	mol5261	NNC(=O)c1cccc(N)c1