pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.72	Datawarrior	1	0	NC(=O)Cc1ccc[nH+]c1	NC(=O)Cc1cccnc1	mol12994	NC(=O)Cc1cccnc1
4.7199998	OCHEM	1	0	NC(=O)Cc1ccc[nH+]c1	NC(=O)Cc1cccnc1	mol12994	NC(=O)Cc1cccnc1
4.71999979019165	QSARToolbox	1	0	NC(=O)Cc1ccc[nH+]c1	NC(=O)Cc1cccnc1	mol12994	NC(=O)Cc1cccnc1