pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.79999995231628	QSARToolbox	1	0	C[NH+](CCSCC[NH+](C)CC(=O)O)CC(=O)[O-]	C[NH+](CCSCC[NH+](C)CC(=O)[O-])CC(=O)[O-]	mol36990	CN(CCSCCN(C)CC(=O)O)CC(=O)O
1.60000002384186	QSARToolbox	1	0	C[NH+](CCSCC[NH+](C)CC(=O)O)CC(=O)[O-]	C[NH+](CCSCC[NH+](C)CC(=O)[O-])CC(=O)[O-]	mol36990	CN(CCSCCN(C)CC(=O)O)CC(=O)O