pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.8	Datawarrior	0	-1	CC1=CC(=O)C(C(C)C)=CC1=Nc1ccc(O)cc1	CC1=CC(=O)C(C(C)C)=CC1=Nc1ccc([O-])cc1	mol15484	CC1=CC(=O)C(C(C)C)=CC1=Nc1ccc(O)cc1
8.8000002	OCHEM	0	-1	CC1=CC(=O)C(C(C)C)=CC1=Nc1ccc(O)cc1	CC1=CC(=O)C(C(C)C)=CC1=Nc1ccc([O-])cc1	mol15484	CC1=CC(=O)C(C(C)C)=CC1=Nc1ccc(O)cc1
8.80000019073486	QSARToolbox	0	-1	CC1=CC(=O)C(C(C)C)=CC1=Nc1ccc(O)cc1	CC1=CC(=O)C(C(C)C)=CC1=Nc1ccc([O-])cc1	mol15484	CC1=CC(=O)C(C(C)C)=CC1=Nc1ccc(O)cc1