pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.5	Datawarrior	-1	-2	O=c1nc(N[O-])ccn1[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O	O=c1nc(NO)ccn1[C@H]1O[C@@H](C[O-])[C@H](O)[C@@H]1[O-],O=c1nc([N-]O)ccn1[C@H]1O[C@@H](C[O-])[C@H](O)[C@@H]1O,O=c1nc(NO)ccn1[C@H]1O[C@@H](C[O-])[C@H]([O-])[C@@H]1O,O=c1nc([N-]O)ccn1[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1[O-],O=c1nc([N-][O-])ccn1[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O	mol14983	O=c1nc(NO)ccn1[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O