pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.01	Baltruschat ChEMBL	1	0	COc1cc(NS(C)(=O)=O)ccc1[NH2+]c1c2ccccc2nc2cc(Br)c(N)cc12,COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2[nH+]c2cc(Br)c(N)cc12,COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2cc(Br)c([NH3+])cc12	COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2cc(Br)c(N)cc12	mol21332	COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2cc(Br)c(N)cc12