pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.27	Datawarrior	1	0	CSc1nc([NH3+])n[nH]1,CSc1[nH]nc(N)[nH+]1,CSc1nc(N)[nH+][nH]1	CSc1nc(N)n[nH]1	mol12358	CSc1nc(N)n[nH]1
3.26999998092651	QSARToolbox	1	0	CSc1nc([NH3+])n[nH]1,CSc1[nH]nc(N)[nH+]1,CSc1nc(N)[nH+][nH]1	CSc1nc(N)n[nH]1	mol12358	CSc1nc(N)n[nH]1