pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.18	Datawarrior	1	0	c1ccc(-c2ccco2)[nH+]c1	c1ccc(-c2ccco2)nc1	mol14020	c1ccc(-c2ccco2)nc1
4.1799998	OCHEM	1	0	c1ccc(-c2ccco2)[nH+]c1	c1ccc(-c2ccco2)nc1	mol14020	c1ccc(-c2ccco2)nc1
4.17999982833862	QSARToolbox	1	0	c1ccc(-c2ccco2)[nH+]c1	c1ccc(-c2ccco2)nc1	mol14020	c1ccc(-c2ccco2)nc1