pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.05	OCHEM	1	0	COc1cc([NH2+]S(C)(=O)=O)ccc1Nc1c2ccccc2nc2c([N+](=O)[O-])cccc12,COc1cc(NS(C)(=O)=O)ccc1[NH2+]c1c2ccccc2nc2c([N+](=O)[O-])cccc12,COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2[nH+]c2c([N+](=O)[O-])cccc12	COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2c([N+](=O)[O-])cccc12	mol18268	COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2c([N+](=O)[O-])cccc12