pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.99	IUPAC digitized pKa	1	0	COc1cc(O)ccc1C(=[NH2+])c1ccccc1	COc1cc(O)ccc1C(=N)c1ccccc1,COc1cc([O-])ccc1C(=[NH2+])c1ccccc1	mol3469	COc1cc(O)ccc1C(=N)c1ccccc1
5.9899998	OCHEM	1	0	COc1cc(O)ccc1C(=[NH2+])c1ccccc1	COc1cc(O)ccc1C(=N)c1ccccc1,COc1cc([O-])ccc1C(=[NH2+])c1ccccc1	mol3469	COc1cc(O)ccc1C(=N)c1ccccc1