pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.46	Datawarrior	1	0	CC(=O)Nc1ccc([NH3+])cc1	CC(=O)Nc1ccc(N)cc1	mol14168	CC(=O)Nc1ccc(N)cc1
3.94000005722046	QSARToolbox	1	0	CC(=O)Nc1ccc([NH3+])cc1	CC(=O)Nc1ccc(N)cc1	mol14168	CC(=O)Nc1ccc(N)cc1