pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.97	IUPAC digitized pKa	0	-1	O=P(O)(O)Oc1cccc2ccccc12	O=P([O-])(O)Oc1cccc2ccccc12	mol11338	O=P(O)(O)Oc1cccc2ccccc12
0.97000002861023	QSARToolbox	0	-1	O=P(O)(O)Oc1cccc2ccccc12	O=P([O-])(O)Oc1cccc2ccccc12	mol11338	O=P(O)(O)Oc1cccc2ccccc12
1.125	AttenGpKa training set	0	-1	O=P(O)(O)Oc1cccc2ccccc12	O=P([O-])(O)Oc1cccc2ccccc12	mol11338	O=P(O)(O)Oc1cccc2ccccc12
5.85	IUPAC digitized pKa	-1	-2	O=P([O-])(O)Oc1cccc2ccccc12	O=P([O-])([O-])Oc1cccc2ccccc12	mol11338	O=P(O)(O)Oc1cccc2ccccc12
5.84999990463257	QSARToolbox	-1	-2	O=P([O-])(O)Oc1cccc2ccccc12	O=P([O-])([O-])Oc1cccc2ccccc12	mol11338	O=P(O)(O)Oc1cccc2ccccc12
5.84	AttenGpKa training set	-1	-2	O=P([O-])(O)Oc1cccc2ccccc12	O=P([O-])([O-])Oc1cccc2ccccc12	mol11338	O=P(O)(O)Oc1cccc2ccccc12