pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.97	Baltruschat ChEMBL	1	0	C[NH+](c1ccccc1Nc1c2ccccc2nc2ccccc12)S(C)(=O)=O,CN(c1ccccc1[NH2+]c1c2ccccc2nc2ccccc12)S(C)(=O)=O,CN(c1ccccc1Nc1c2ccccc2[nH+]c2ccccc12)S(C)(=O)=O	CN(c1ccccc1Nc1c2ccccc2nc2ccccc12)S(C)(=O)=O	mol20197	CN(c1ccccc1Nc1c2ccccc2nc2ccccc12)S(C)(=O)=O