pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.53	IUPAC digitized pKa	0	-1	O=P(O)(O)Oc1cc(Cl)c(Cl)cc1Cl	O=P([O-])(O)Oc1cc(Cl)c(Cl)cc1Cl	mol9868	O=P(O)(O)Oc1cc(Cl)c(Cl)cc1Cl
0.529999971389771	QSARToolbox	0	-1	O=P(O)(O)Oc1cc(Cl)c(Cl)cc1Cl	O=P([O-])(O)Oc1cc(Cl)c(Cl)cc1Cl	mol9868	O=P(O)(O)Oc1cc(Cl)c(Cl)cc1Cl
5.47	IUPAC digitized pKa	-1	-2	O=P([O-])(O)Oc1cc(Cl)c(Cl)cc1Cl	O=P([O-])([O-])Oc1cc(Cl)c(Cl)cc1Cl	mol9868	O=P(O)(O)Oc1cc(Cl)c(Cl)cc1Cl
5.48	IUPAC digitized pKa	-1	-2	O=P([O-])(O)Oc1cc(Cl)c(Cl)cc1Cl	O=P([O-])([O-])Oc1cc(Cl)c(Cl)cc1Cl	mol9868	O=P(O)(O)Oc1cc(Cl)c(Cl)cc1Cl
5.46999979019165	QSARToolbox	-1	-2	O=P([O-])(O)Oc1cc(Cl)c(Cl)cc1Cl	O=P([O-])([O-])Oc1cc(Cl)c(Cl)cc1Cl	mol9868	O=P(O)(O)Oc1cc(Cl)c(Cl)cc1Cl