pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.33	Datawarrior	0	-1	O/N=C\c1ccccc1	[O-]/N=C\c1ccccc1	mol13658	O/N=C\c1ccccc1
11.3299999237061	QSARToolbox	0	-1	O/N=C\c1ccccc1	[O-]/N=C\c1ccccc1	mol13658	O/N=C\c1ccccc1
10.6800003051758	QSARToolbox	0	-1	O/N=C\c1ccccc1	[O-]/N=C\c1ccccc1	mol13658	O/N=C\c1ccccc1
10.789999961853	QSARToolbox	0	-1	O/N=C\c1ccccc1	[O-]/N=C\c1ccccc1	mol13658	O/N=C\c1ccccc1
11.0100002288818	QSARToolbox	0	-1	O/N=C\c1ccccc1	[O-]/N=C\c1ccccc1	mol13658	O/N=C\c1ccccc1
10.955	AttenGpKa training set	0	-1	O/N=C\c1ccccc1	[O-]/N=C\c1ccccc1	mol13658	O/N=C\c1ccccc1