pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.4000001	OCHEM	1	0	Nc1ncc2ncn([C@@H]3O[C@@H](C[OH2+])[C@@H](O)[C@H]3O)c2n1,Nc1ncc2[nH+]cn([C@@H]3O[C@@H](CO)[C@@H](O)[C@H]3O)c2n1,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,Nc1ncc2ncn([C@@H]3O[C@@H](CO)[C@@H](O)[C@H]3[OH2+])c2n1,[NH3+]c1ncc2ncn([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	mol32580	Nc1ncc2ncn(C3OC(CO)C(O)C3O)c2n1