pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.7	Datawarrior	1	0	OCc1ccc(-c2[nH+]ccc3c2[nH]c2ccccc23)o1	OCc1ccc(-c2nccc3c2[nH]c2ccccc23)o1	mol14777	OCc1ccc(-c2nccc3c2[nH]c2ccccc23)o1
5.6999998	OCHEM	1	0	OCc1ccc(-c2[nH+]ccc3c2[nH]c2ccccc23)o1	OCc1ccc(-c2nccc3c2[nH]c2ccccc23)o1	mol14777	OCc1ccc(-c2nccc3c2[nH]c2ccccc23)o1
5.69999980926514	QSARToolbox	1	0	OCc1ccc(-c2[nH+]ccc3c2[nH]c2ccccc23)o1	OCc1ccc(-c2nccc3c2[nH]c2ccccc23)o1	mol14777	OCc1ccc(-c2nccc3c2[nH]c2ccccc23)o1