pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
12.83	Datawarrior	0	-1	OCO	[O-]CO	mol14352	OCO
13.289999961853	QSARToolbox	0	-1	OCO	[O-]CO	mol14352	OCO
12.7399997711182	QSARToolbox	0	-1	OCO	[O-]CO	mol14352	OCO
12.6899995803833	QSARToolbox	0	-1	OCO	[O-]CO	mol14352	OCO
12.7200002670288	QSARToolbox	0	-1	OCO	[O-]CO	mol14352	OCO
11.5	QSARToolbox	0	-1	OCO	[O-]CO	mol14352	OCO
13.095	AttenGpKa training set	0	-1	OCO	[O-]CO	mol14352	OCO
9.68	AttenGpKa training set	0	-1	OCO	[O-]CO	mol14352	OCO
15.1000003814697	QSARToolbox	-1	-2	[O-]CO	[O-]C[O-]	mol14352	OCO