pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.3	Datawarrior	0	-1	CCCOC(=O)c1ccc(O)cc1	CCCOC(=O)c1ccc([O-])cc1	mol13855	CCCOC(=O)c1ccc(O)cc1
8.3000002	OCHEM	0	-1	CCCOC(=O)c1ccc(O)cc1	CCCOC(=O)c1ccc([O-])cc1	mol13855	CCCOC(=O)c1ccc(O)cc1
7.90999984741211	QSARToolbox	0	-1	CCCOC(=O)c1ccc(O)cc1	CCCOC(=O)c1ccc([O-])cc1	mol13855	CCCOC(=O)c1ccc(O)cc1
8.16	AttenGpKa training set	0	-1	CCCOC(=O)c1ccc(O)cc1	CCCOC(=O)c1ccc([O-])cc1	mol13855	CCCOC(=O)c1ccc(O)cc1