pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.07	Datawarrior	0	-1	CN(O)C(=O)c1ccccc1	CN([O-])C(=O)c1ccccc1	mol14208	CN(O)C(=O)c1ccccc1
8.0699997	OCHEM	0	-1	CN(O)C(=O)c1ccccc1	CN([O-])C(=O)c1ccccc1	mol14208	CN(O)C(=O)c1ccccc1
7.86999988555908	QSARToolbox	0	-1	CN(O)C(=O)c1ccccc1	CN([O-])C(=O)c1ccccc1	mol14208	CN(O)C(=O)c1ccccc1
8.27999973297119	QSARToolbox	0	-1	CN(O)C(=O)c1ccccc1	CN([O-])C(=O)c1ccccc1	mol14208	CN(O)C(=O)c1ccccc1
8.59	AttenGpKa training set	0	-1	CN(O)C(=O)c1ccccc1	CN([O-])C(=O)c1ccccc1	mol14208	CN(O)C(=O)c1ccccc1