pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.72	Baltruschat ChEMBL	1	0	COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccc(I)cc2nc2ccc([NH3+])cc12,COc1cc(NS(C)(=O)=O)ccc1[NH2+]c1c2ccc(I)cc2nc2ccc(N)cc12,COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccc(I)cc2[nH+]c2ccc(N)cc12	COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccc(I)cc2nc2ccc(N)cc12	mol21334	COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccc(I)cc2nc2ccc(N)cc12