pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.82	AttenGpKa training set	0	-1	O=C(O)/C(=N\O)c1ccccc1	O=C([O-])/C(=N\O)c1ccccc1	mol22357	O=C(O)/C(=N\O)c1ccccc1
10.9499998092651	QSARToolbox	-1	-2	O=C([O-])/C(=N\O)c1ccccc1	O=C([O-])/C(=N\[O-])c1ccccc1	mol22357	O=C(O)/C(=N\O)c1ccccc1
10.95	AttenGpKa training set	-1	-2	O=C([O-])/C(=N\O)c1ccccc1	O=C([O-])/C(=N\[O-])c1ccccc1	mol22357	O=C(O)/C(=N\O)c1ccccc1