pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.2	OCHEM	1	0	OC[C@H]1O[C@H](n2c[nH+]c3c2N=CNC[C@H]3O)C[C@H]1O,OC[C@H]1O[C@H](n2cnc3c2[NH+]=CNC[C@H]3O)C[C@H]1O,OC[C@H]1O[C@H](n2cnc3c2N=CNC[C@H]3[OH2+])C[C@H]1O,O[C@@H]1CNC=Nc2c1ncn2[C@@H]1C[C@@H](O)[C@@H](C[OH2+])O1	OC[C@H]1O[C@H](n2cnc3c2N=CNC[C@H]3O)C[C@H]1O	mol32952	OC[C@H]1O[C@H](n2cnc3c2N=CNC[C@H]3O)C[C@H]1O