pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.91	Datawarrior	0	-1	NC(=O)CC(=O)c1ccncc1	[NH-]C(=O)CC(=O)c1ccncc1,NC(=O)[CH-]C(=O)c1ccncc1	mol12591	NC(=O)CC(=O)c1ccncc1
7.9099998	OCHEM	0	-1	NC(=O)CC(=O)c1ccncc1	[NH-]C(=O)CC(=O)c1ccncc1,NC(=O)[CH-]C(=O)c1ccncc1	mol12591	NC(=O)CC(=O)c1ccncc1
7.90999984741211	QSARToolbox	0	-1	NC(=O)CC(=O)c1ccncc1	[NH-]C(=O)CC(=O)c1ccncc1,NC(=O)[CH-]C(=O)c1ccncc1	mol12591	NC(=O)CC(=O)c1ccncc1