pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.0	Datawarrior	1	0	CCOP(=O)(C[NH+]1CCOCC1)OCC	CCOP(=O)(CN1CCOCC1)OCC	mol14318	CCOP(=O)(CN1CCOCC1)OCC
3.90000009536743	QSARToolbox	1	0	CCOP(=O)(C[NH+]1CCOCC1)OCC	CCOP(=O)(CN1CCOCC1)OCC	mol14318	CCOP(=O)(CN1CCOCC1)OCC