pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.49	Datawarrior	0	-1	CCCCCOc1ccc(C(=O)O)cc1	CCCCCOc1ccc(C(=O)[O-])cc1	mol14292	CCCCCOc1ccc(C(=O)O)cc1
4.4899998	OCHEM	0	-1	CCCCCOc1ccc(C(=O)O)cc1	CCCCCOc1ccc(C(=O)[O-])cc1	mol14292	CCCCCOc1ccc(C(=O)O)cc1
4.55000019073486	QSARToolbox	0	-1	CCCCCOc1ccc(C(=O)O)cc1	CCCCCOc1ccc(C(=O)[O-])cc1	mol14292	CCCCCOc1ccc(C(=O)O)cc1
4.48999977111816	QSARToolbox	0	-1	CCCCCOc1ccc(C(=O)O)cc1	CCCCCOc1ccc(C(=O)[O-])cc1	mol14292	CCCCCOc1ccc(C(=O)O)cc1
4.55	AttenGpKa training set	0	-1	CCCCCOc1ccc(C(=O)O)cc1	CCCCCOc1ccc(C(=O)[O-])cc1	mol14292	CCCCCOc1ccc(C(=O)O)cc1