pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.42	IUPAC digitized pKa	0	-1	O=P([O-])(O)OCc1cccc[nH+]1	O=P([O-])([O-])OCc1cccc[nH+]1,O=P([O-])(O)OCc1ccccn1	mol9911	O=P(O)(O)OCc1ccccn1
4.15	IUPAC digitized pKa	0	-1	O=P([O-])(O)OCc1cccc[nH+]1	O=P([O-])([O-])OCc1cccc[nH+]1,O=P([O-])(O)OCc1ccccn1	mol9911	O=P(O)(O)OCc1ccccn1
1.8	IUPAC digitized pKa	1	0	O=P(O)(O)OCc1cccc[nH+]1	O=P([O-])(O)OCc1cccc[nH+]1	mol9911	O=P(O)(O)OCc1ccccn1
6.29	IUPAC digitized pKa	-1	-2	O=P([O-])([O-])OCc1cccc[nH+]1,O=P([O-])(O)OCc1ccccn1	O=P([O-])([O-])OCc1ccccn1	mol9911	O=P(O)(O)OCc1ccccn1
6.54	IUPAC digitized pKa	-1	-2	O=P([O-])([O-])OCc1cccc[nH+]1,O=P([O-])(O)OCc1ccccn1	O=P([O-])([O-])OCc1ccccn1	mol9911	O=P(O)(O)OCc1ccccn1
6.3	IUPAC digitized pKa	-1	-2	O=P([O-])([O-])OCc1cccc[nH+]1,O=P([O-])(O)OCc1ccccn1	O=P([O-])([O-])OCc1ccccn1	mol9911	O=P(O)(O)OCc1ccccn1