pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.28999996185303	QSARToolbox	0	-1	[O-]/[N+](O)=C\CO	[O-][N+]([O-])=CCO	mol27824	[O-]/[N+](O)=C\CO
3.44	AttenGpKa training set	0	-1	[O-]/[N+](O)=C\CO	[O-][N+]([O-])=CCO	mol27824	[O-]/[N+](O)=C\CO