pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.35	IUPAC digitized pKa	1	0	CCOP(=O)(CCC[NH+](CC)CC)OCC	CCOP(=O)(CCCN(CC)CC)OCC	mol1886	CCOP(=O)(CCCN(CC)CC)OCC
9.35000038146973	QSARToolbox	1	0	CCOP(=O)(CCC[NH+](CC)CC)OCC	CCOP(=O)(CCCN(CC)CC)OCC	mol1886	CCOP(=O)(CCCN(CC)CC)OCC
8.57999992370606	QSARToolbox	1	0	CCOP(=O)(CCC[NH+](CC)CC)OCC	CCOP(=O)(CCCN(CC)CC)OCC	mol1886	CCOP(=O)(CCCN(CC)CC)OCC