pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.69999980926514	QSARToolbox	0	-1	COc1ccc(NCCS)cc1	COc1ccc(NCC[S-])cc1	mol12689	COc1ccc(NCCS)cc1
5.3	Datawarrior	1	0	COc1ccc([NH2+]CCS)cc1	COc1ccc(NCCS)cc1	mol12689	COc1ccc(NCCS)cc1
5.3000002	OCHEM	1	0	COc1ccc([NH2+]CCS)cc1	COc1ccc(NCCS)cc1	mol12689	COc1ccc(NCCS)cc1