pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.47	Datawarrior	0	-1	O=P(O)(C1CCCCC1)C1CCCCC1	O=P([O-])(C1CCCCC1)C1CCCCC1	mol15690	O=P(O)(C1CCCCC1)C1CCCCC1
3.47000002861023	QSARToolbox	0	-1	O=P(O)(C1CCCCC1)C1CCCCC1	O=P([O-])(C1CCCCC1)C1CCCCC1	mol15690	O=P(O)(C1CCCCC1)C1CCCCC1