pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.80999994277954	QSARToolbox	0	-1	O=C(O)CN1C(=O)NC(=O)[C@H]1Cc1ccccc1	O=C([O-])CN1C(=O)NC(=O)[C@H]1Cc1ccccc1	mol27569	O=C(O)CN1C(=O)NC(=O)C1Cc1ccccc1
2.81	AttenGpKa training set	0	-1	O=C(O)CN1C(=O)NC(=O)[C@H]1Cc1ccccc1	O=C([O-])CN1C(=O)NC(=O)[C@H]1Cc1ccccc1	mol27569	O=C(O)CN1C(=O)NC(=O)C1Cc1ccccc1
8.96	AttenGpKa training set	-1	-2	O=C([O-])CN1C(=O)NC(=O)[C@H]1Cc1ccccc1	O=C([O-])CN1C(=O)[N-]C(=O)[C@H]1Cc1ccccc1	mol27569	O=C(O)CN1C(=O)NC(=O)C1Cc1ccccc1