pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.4	Datawarrior	1	0	Nc1nc2c(c[nH+]1)ncn2[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O,Nc1ncc2ncn([C@H]3O[C@@H](CO)[C@H](O)[C@@H]3O)c2[nH+]1,[NH3+]c1ncc2ncn([C@H]3O[C@@H](CO)[C@H](O)[C@@H]3O)c2n1,Nc1ncc2[nH+]cn([C@H]3O[C@@H](CO)[C@H](O)[C@@H]3O)c2n1	Nc1ncc2ncn([C@H]3O[C@@H](CO)[C@H](O)[C@@H]3O)c2n1	mol15557	Nc1ncc2ncn([C@H]3O[C@@H](CO)[C@H](O)[C@@H]3O)c2n1