pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.8	Baltruschat ChEMBL	1	0	CCCOC(=O)[C@@H]([NH3+])CCC(=O)NCCSC(C)=O	CCCOC(=O)[C@@H](N)CCC(=O)NCCSC(C)=O	mol16960	CCCOC(=O)[C@@H](N)CCC(=O)NCCSC(C)=O