pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.09	IUPAC digitized pKa	0	-1	CC(=O)[C@H]1CCCCC1=O	CC(=O)[C@H]1CCC[CH-]C1=O,CC(=O)[C-]1CCCCC1=O	mol10450	CC(=O)C1CCCCC1=O
10.21	Datawarrior	0	-1	CC(=O)[C@H]1CCCCC1=O	CC(=O)[C@H]1CCC[CH-]C1=O,CC(=O)[C-]1CCCCC1=O	mol10450	CC(=O)C1CCCCC1=O
9.89	AttenGpKa training set	0	-1	CC(=O)[C@H]1CCCCC1=O	CC(=O)[C@H]1CCC[CH-]C1=O,CC(=O)[C-]1CCCCC1=O	mol10450	CC(=O)C1CCCCC1=O