pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.71	Baltruschat ChEMBL	1	0	COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2[nH+]c2c(C)c(Cl)ccc12,COc1cc(NS(C)(=O)=O)ccc1[NH2+]c1c2ccccc2nc2c(C)c(Cl)ccc12	COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2c(C)c(Cl)ccc12	mol21326	COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2c(C)c(Cl)ccc12