pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.87	Datawarrior	0	-1	Cc1cc(S)nc(S)n1	Cc1cc(S)nc([S-])n1,Cc1cc([S-])nc(S)n1	mol13599	Cc1cc(S)nc(S)n1
6.86999988555908	QSARToolbox	0	-1	Cc1cc(S)nc(S)n1	Cc1cc(S)nc([S-])n1,Cc1cc([S-])nc(S)n1	mol13599	Cc1cc(S)nc(S)n1
12.02	Datawarrior	-1	-2	Cc1cc(S)nc([S-])n1,Cc1cc([S-])nc(S)n1	Cc1cc([S-])nc([S-])n1	mol13599	Cc1cc(S)nc(S)n1