pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.54	Datawarrior	0	-1	[S-]Cc1c[nH]c[nH+]1,SCc1c[nH]cn1	[S-]Cc1c[nH]cn1	mol16030	SCc1c[nH]cn1
6.54	Datawarrior	1	0	SCc1c[nH]c[nH+]1	[S-]Cc1c[nH]c[nH+]1,SCc1c[nH]cn1	mol16030	SCc1c[nH]cn1
6.53999996185303	QSARToolbox	1	0	SCc1c[nH]c[nH+]1	[S-]Cc1c[nH]c[nH+]1,SCc1c[nH]cn1	mol16030	SCc1c[nH]cn1