pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.93000030517578	QSARToolbox	0	-1	NC(=O)N[C@@H]1NC(=O)NC1=O	NC(=O)N[C@@H]1NC(=O)[N-]C1=O,NC(=O)[N-][C@@H]1NC(=O)NC1=O,NC(=O)N[C@@H]1[N-]C(=O)NC1=O	mol29520	NC(=O)NC1NC(=O)NC1=O
8.96000003814697	QSARToolbox	0	-1	NC(=O)N[C@@H]1NC(=O)NC1=O	NC(=O)N[C@@H]1NC(=O)[N-]C1=O,NC(=O)[N-][C@@H]1NC(=O)NC1=O,NC(=O)N[C@@H]1[N-]C(=O)NC1=O	mol29520	NC(=O)NC1NC(=O)NC1=O
8.47	AttenGpKa training set	0	-1	NC(=O)N[C@@H]1NC(=O)NC1=O	NC(=O)N[C@@H]1NC(=O)[N-]C1=O,NC(=O)[N-][C@@H]1NC(=O)NC1=O,NC(=O)N[C@@H]1[N-]C(=O)NC1=O	mol29520	NC(=O)NC1NC(=O)NC1=O