pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.18	Baltruschat ChEMBL	1	0	COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccc(Cl)cc2[nH+]c2cc(Cl)ccc12,COc1cc(NS(C)(=O)=O)ccc1[NH2+]c1c2ccc(Cl)cc2nc2cc(Cl)ccc12	COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccc(Cl)cc2nc2cc(Cl)ccc12	mol21322	COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccc(Cl)cc2nc2cc(Cl)ccc12