pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.44	OCHEM	0	-1	Cc1cccc(C=CC(=O)O)c1	Cc1cccc(C=CC(=O)[O-])c1	mol31892	Cc1cccc(C=CC(=O)O)c1
4.4400001	OCHEM	0	-1	Cc1cccc(C=CC(=O)O)c1	Cc1cccc(C=CC(=O)[O-])c1	mol31892	Cc1cccc(C=CC(=O)O)c1
4.44000005722046	QSARToolbox	0	-1	Cc1cccc(C=CC(=O)O)c1	Cc1cccc(C=CC(=O)[O-])c1	mol31892	Cc1cccc(C=CC(=O)O)c1