pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.22	Datawarrior	1	0	CC(C)CSC(=[NH2+])c1ccccc1	CC(C)CSC(=N)c1ccccc1	mol13910	CC(C)CSC(=N)c1ccccc1
8.2200003	OCHEM	1	0	CC(C)CSC(=[NH2+])c1ccccc1	CC(C)CSC(=N)c1ccccc1	mol13910	CC(C)CSC(=N)c1ccccc1
8.22000026702881	QSARToolbox	1	0	CC(C)CSC(=[NH2+])c1ccccc1	CC(C)CSC(=N)c1ccccc1	mol13910	CC(C)CSC(=N)c1ccccc1