pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.55	Datawarrior	1	0	CCCSC(=O)CCCc1c[nH]c[nH+]1	CCCSC(=O)CCCc1c[nH]cn1	mol13241	CCCSC(=O)CCCc1c[nH]cn1
7.5500002	OCHEM	1	0	CCCSC(=O)CCCc1c[nH]c[nH+]1	CCCSC(=O)CCCc1c[nH]cn1	mol13241	CCCSC(=O)CCCc1c[nH]cn1
7.55000019073486	QSARToolbox	1	0	CCCSC(=O)CCCc1c[nH]c[nH+]1	CCCSC(=O)CCCc1c[nH]cn1	mol13241	CCCSC(=O)CCCc1c[nH]cn1