pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.38	Datawarrior	0	-1	COc1cccc(/C=C/C(=O)O)c1	COc1cccc(/C=C/C(=O)[O-])c1	mol1302	COc1cccc(/C=C/C(=O)O)c1
4.38000011444092	QSARToolbox	0	-1	COc1cccc(/C=C/C(=O)O)c1	COc1cccc(/C=C/C(=O)[O-])c1	mol1302	COc1cccc(/C=C/C(=O)O)c1
