pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.88000011444092	QSARToolbox	0	-1	CSc1ccc(/C=C2\C(C)=C(CC(=O)O)c3cc(F)ccc32)cc1	CSc1ccc(/C=C2\C(C)=C(CC(=O)[O-])c3cc(F)ccc32)cc1	mol29905	CSc1ccc(/C=C2\C(C)=C(CC(=O)O)c3cc(F)ccc32)cc1
4.88	AttenGpKa training set	0	-1	CSc1ccc(/C=C2\C(C)=C(CC(=O)O)c3cc(F)ccc32)cc1	CSc1ccc(/C=C2\C(C)=C(CC(=O)[O-])c3cc(F)ccc32)cc1	mol29905	CSc1ccc(/C=C2\C(C)=C(CC(=O)O)c3cc(F)ccc32)cc1