pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.9	Datawarrior	0	-1	CC1=CC(=Nc2ccc(O)cc2)C=C(C)C1=O	CC1=CC(=Nc2ccc([O-])cc2)C=C(C)C1=O	mol15189	CC1=CC(=Nc2ccc(O)cc2)C=C(C)C1=O
8.8999996	OCHEM	0	-1	CC1=CC(=Nc2ccc(O)cc2)C=C(C)C1=O	CC1=CC(=Nc2ccc([O-])cc2)C=C(C)C1=O	mol15189	CC1=CC(=Nc2ccc(O)cc2)C=C(C)C1=O
8.89999961853027	QSARToolbox	0	-1	CC1=CC(=Nc2ccc(O)cc2)C=C(C)C1=O	CC1=CC(=Nc2ccc([O-])cc2)C=C(C)C1=O	mol15189	CC1=CC(=Nc2ccc(O)cc2)C=C(C)C1=O