pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.74	IUPAC digitized pKa	0	-1	O=C(O)CCNC(=S)C(=S)NCCC(=O)O	O=C([O-])CCNC(=S)C(=S)NCCC(=O)O	mol10807	O=C(O)CCNC(=S)C(=S)NCCC(=O)O
11.41	IUPAC digitized pKa	-2	-3	O=C([O-])CCNC(=S)C(=S)NCCC(=O)[O-]	O=C([O-])CC[N-]C(=S)C(=S)NCCC(=O)[O-]	mol10807	O=C(O)CCNC(=S)C(=S)NCCC(=O)O
12.32	IUPAC digitized pKa	-2	-3	O=C([O-])CCNC(=S)C(=S)NCCC(=O)[O-]	O=C([O-])CC[N-]C(=S)C(=S)NCCC(=O)[O-]	mol10807	O=C(O)CCNC(=S)C(=S)NCCC(=O)O
14.19	IUPAC digitized pKa	-3	-4	O=C([O-])CC[N-]C(=S)C(=S)NCCC(=O)[O-]	O=C([O-])CC[N-]C(=S)C(=S)[N-]CCC(=O)[O-]	mol10807	O=C(O)CCNC(=S)C(=S)NCCC(=O)O
3.76	IUPAC digitized pKa	-1	-2	O=C([O-])CCNC(=S)C(=S)NCCC(=O)O	O=C([O-])CCNC(=S)C(=S)NCCC(=O)[O-]	mol10807	O=C(O)CCNC(=S)C(=S)NCCC(=O)O