pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.43	Datawarrior	0	-1	O=Nc1c(O)ccc2ncsc12	O=Nc1c([O-])ccc2ncsc12	mol12782	O=Nc1c(O)ccc2ncsc12
5.4299998	OCHEM	0	-1	O=Nc1c(O)ccc2ncsc12	O=Nc1c([O-])ccc2ncsc12	mol12782	O=Nc1c(O)ccc2ncsc12
5.42999982833862	QSARToolbox	0	-1	O=Nc1c(O)ccc2ncsc12	O=Nc1c([O-])ccc2ncsc12	mol12782	O=Nc1c(O)ccc2ncsc12