pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.89	Datawarrior	0	-1	Cc1[nH]c2ccccc2c1C(=O)O	Cc1[nH]c2ccccc2c1C(=O)[O-]	mol13784	Cc1[nH]c2ccccc2c1C(=O)O
5.8899999	OCHEM	0	-1	Cc1[nH]c2ccccc2c1C(=O)O	Cc1[nH]c2ccccc2c1C(=O)[O-]	mol13784	Cc1[nH]c2ccccc2c1C(=O)O
5.8899998664856	QSARToolbox	0	-1	Cc1[nH]c2ccccc2c1C(=O)O	Cc1[nH]c2ccccc2c1C(=O)[O-]	mol13784	Cc1[nH]c2ccccc2c1C(=O)O
