pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.98	Baltruschat ChEMBL	1	0	COc1cc(NS(C)(=O)=O)ccc1[NH2+]c1c2ccccc2nc2cccc([N+](=O)[O-])c12,COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2[nH+]c2cccc([N+](=O)[O-])c12	COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2cccc([N+](=O)[O-])c12	mol21337	COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2cccc([N+](=O)[O-])c12