pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.81999969482422	QSARToolbox	0	-1	COc1cccc(NCCS)c1	COc1cccc(NCC[S-])c1	mol12690	COc1cccc(NCCS)c1
5.18	Datawarrior	1	0	COc1cccc([NH2+]CCS)c1	COc1cccc(NCCS)c1	mol12690	COc1cccc(NCCS)c1
5.1799998	OCHEM	1	0	COc1cccc([NH2+]CCS)c1	COc1cccc(NCCS)c1	mol12690	COc1cccc(NCCS)c1