pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.7	IUPAC digitized pKa	1	0	CC(C)OP(=O)(OC(C)C)SCC[NH+](C)C	CC(C)OP(=O)(OC(C)C)SCCN(C)C	mol1444	CC(C)OP(=O)(OC(C)C)SCCN(C)C
7.69999980926514	QSARToolbox	1	0	CC(C)OP(=O)(OC(C)C)SCC[NH+](C)C	CC(C)OP(=O)(OC(C)C)SCCN(C)C	mol1444	CC(C)OP(=O)(OC(C)C)SCCN(C)C