pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.4	Hunt	2	1	c1ccc(CSc2[nH]c3ccccc3[nH+]2)[nH+]c1	c1ccc(CSc2[nH]c3ccccc3[nH+]2)nc1,c1ccc(CSc2nc3ccccc3[nH]2)[nH+]c1	mol2295	c1ccc(CSc2nc3ccccc3[nH]2)nc1