pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.64	IUPAC digitized pKa	0	-1	CCOC(=O)CC(C)=O	CCOC(=O)[CH-]C(C)=O	mol9578	CCOC(=O)CC(C)=O
10.68	IUPAC digitized pKa	0	-1	CCOC(=O)CC(C)=O	CCOC(=O)[CH-]C(C)=O	mol9578	CCOC(=O)CC(C)=O
10.49	IUPAC digitized pKa	0	-1	CCOC(=O)CC(C)=O	CCOC(=O)[CH-]C(C)=O	mol9578	CCOC(=O)CC(C)=O
10.7	IUPAC digitized pKa	0	-1	CCOC(=O)CC(C)=O	CCOC(=O)[CH-]C(C)=O	mol9578	CCOC(=O)CC(C)=O
10.66	Datawarrior	0	-1	CCOC(=O)CC(C)=O	CCOC(=O)[CH-]C(C)=O	mol9578	CCOC(=O)CC(C)=O
10.6800003051758	QSARToolbox	0	-1	CCOC(=O)CC(C)=O	CCOC(=O)[CH-]C(C)=O	mol9578	CCOC(=O)CC(C)=O
11.4075	AttenGpKa training set	0	-1	CCOC(=O)CC(C)=O	CCOC(=O)[CH-]C(C)=O	mol9578	CCOC(=O)CC(C)=O