pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.5	Novartis	0	-1	Cc1ccc(C)n1-c1ccc(SCC(=O)O)cc1	Cc1ccc(C)n1-c1ccc(SCC(=O)[O-])cc1	mol2912	Cc1ccc(C)n1-c1ccc(SCC(=O)O)cc1