pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.54	Organic Oxygen Acids and Nitrogen Bases	1	0	Cc1c(CC[NH3+])ccc(O)c1O	Cc1c(CC[NH3+])ccc([O-])c1O,Cc1c(CCN)ccc(O)c1O,Cc1c(CC[NH3+])ccc(O)c1[O-]	mol21726	Cc1c(CCN)ccc(O)c1O