pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.63	Datawarrior	0	-1	OC[C@@H]1O[C@H](n2cnc3c(S)ncnc32)[C@@H](O)[C@H]1O	OC[C@@H]1O[C@H](n2cnc3c([S-])ncnc32)[C@@H](O)[C@H]1O	mol15523	OC[C@@H]1O[C@H](n2cnc3c(S)ncnc32)[C@@H](O)[C@H]1O