pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.48	Datawarrior	0	-1	OC[C@H]1O[C@@H]2NC(=S)O[C@@H]2[C@H]1O	OC[C@H]1O[C@@H]2[N-]C(=S)O[C@@H]2[C@H]1O	mol12809	OC[C@H]1O[C@@H]2NC(=S)O[C@@H]2[C@H]1O
9.47999954223633	QSARToolbox	0	-1	OC[C@H]1O[C@@H]2NC(=S)O[C@@H]2[C@H]1O	OC[C@H]1O[C@@H]2[N-]C(=S)O[C@@H]2[C@H]1O	mol12809	OC[C@H]1O[C@@H]2NC(=S)O[C@@H]2[C@H]1O