pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.5	QSARToolbox	0	-1	CC[NH+](CC)CCC(O)(P(=O)([O-])O)P(=O)(O)O	CC[NH+](CC)CCC(O)(P(=O)([O-])[O-])P(=O)(O)O,CC[NH+](CC)CCC(O)(P(=O)([O-])O)P(=O)([O-])O	mol35632	CCN(CC)CCC(O)(P(=O)(O)O)P(=O)(O)O