pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.86999988555908	QSARToolbox	0	-1	COC(=O)/C(=N/O)c1ccccc1	COC(=O)/C(=N/[O-])c1ccccc1	mol31585	COC(=O)/C(=N/O)c1ccccc1
8.87	AttenGpKa training set	0	-1	COC(=O)/C(=N/O)c1ccccc1	COC(=O)/C(=N/[O-])c1ccccc1	mol31585	COC(=O)/C(=N/O)c1ccccc1