pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.65	Baltruschat ChEMBL	1	0	CC(C)CNC(=O)C[C@@H]1Sc2sc(S([NH3+])(=O)=O)cc2NC1=O	CC(C)CNC(=O)C[C@@H]1Sc2sc(S(N)(=O)=O)cc2NC1=O	mol20359	CC(C)CNC(=O)CC1Sc2sc(S(N)(=O)=O)cc2NC1=O