pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.2	OCHEM	0	-1	O=C([O-])CCCCCCCCCC[NH2+]CCSSCC[NH2+]CCCCCCCCCCC(=O)[O-]	O=C([O-])CCCCCCCCCCNCCSSCC[NH2+]CCCCCCCCCCC(=O)[O-]	mol33028	O=C(O)CCCCCCCCCCNCCSSCCNCCCCCCCCCCC(=O)O
3.5	OCHEM	1	0	O=C([O-])CCCCCCCCCC[NH2+]CCSSCC[NH2+]CCCCCCCCCCC(=O)O	O=C([O-])CCCCCCCCCC[NH2+]CCSSCC[NH2+]CCCCCCCCCCC(=O)[O-]	mol33028	O=C(O)CCCCCCCCCCNCCSSCCNCCCCCCCCCCC(=O)O