pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.04	Datawarrior	1	0	CC(C)SC(=[NH2+])c1ccccc1	CC(C)SC(=N)c1ccccc1	mol12642	CC(C)SC(=N)c1ccccc1
8.03999996185303	QSARToolbox	1	0	CC(C)SC(=[NH2+])c1ccccc1	CC(C)SC(=N)c1ccccc1	mol12642	CC(C)SC(=N)c1ccccc1