pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.42	Datawarrior	0	-1	c1coc(CSc2ncnc3nc[nH]c23)c1	c1coc(CSc2ncnc3nc[n-]c23)c1	mol14489	c1coc(CSc2ncnc3nc[nH]c23)c1
8.4200001	OCHEM	0	-1	c1coc(CSc2ncnc3nc[nH]c23)c1	c1coc(CSc2ncnc3nc[n-]c23)c1	mol14489	c1coc(CSc2ncnc3nc[nH]c23)c1
8.42000007629395	QSARToolbox	0	-1	c1coc(CSc2ncnc3nc[nH]c23)c1	c1coc(CSc2ncnc3nc[n-]c23)c1	mol14489	c1coc(CSc2ncnc3nc[nH]c23)c1