pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.3400002	OCHEM	0	-1	Nc1nc(S)c2ncn([C@H]3O[C@H](CO)[C@@H](O)[C@@H]3O)c2n1	Nc1nc([S-])c2ncn([C@H]3O[C@H](CO)[C@@H](O)[C@@H]3O)c2n1	mol32582	Nc1nc(S)c2ncn(C3OC(CO)C(O)C3O)c2n1
8.35000038146973	QSARToolbox	0	-1	Nc1nc(S)c2ncn([C@H]3O[C@H](CO)[C@@H](O)[C@@H]3O)c2n1	Nc1nc([S-])c2ncn([C@H]3O[C@H](CO)[C@@H](O)[C@@H]3O)c2n1	mol32582	Nc1nc(S)c2ncn(C3OC(CO)C(O)C3O)c2n1
8.32999992370606	QSARToolbox	0	-1	Nc1nc(S)c2ncn([C@H]3O[C@H](CO)[C@@H](O)[C@@H]3O)c2n1	Nc1nc([S-])c2ncn([C@H]3O[C@H](CO)[C@@H](O)[C@@H]3O)c2n1	mol32582	Nc1nc(S)c2ncn(C3OC(CO)C(O)C3O)c2n1