pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.44	Baltruschat ChEMBL	1	0	COc1cc(C[S@@+]([O-])c2nc3cscc3[nH]2)[nH+]cc1Cl,COc1cc(C[S@@+]([O-])c2[nH]c3cscc3[nH+]2)ncc1Cl	COc1cc(C[S@@+]([O-])c2nc3cscc3[nH]2)ncc1Cl	mol20630	COc1cc(C[S+]([O-])c2nc3cscc3[nH]2)ncc1Cl