pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.27	Datawarrior	1	0	ClCC[NH+]1CCOCC1	ClCCN1CCOCC1	mol13666	ClCCN1CCOCC1
6.26999998092651	QSARToolbox	1	0	ClCC[NH+]1CCOCC1	ClCCN1CCOCC1	mol13666	ClCCN1CCOCC1
6.3	AttenGpKa training set	1	0	ClCC[NH+]1CCOCC1	ClCCN1CCOCC1	mol13666	ClCCN1CCOCC1