pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.37	AttenGpKa training set	0	-1	O=P([O-])(O)Cc1[nH]c2ccccc2[nH+]1	O=P([O-])([O-])Cc1[nH]c2ccccc2[nH+]1,O=P([O-])(O)Cc1nc2ccccc2[nH]1	mol28981	O=P(O)(O)Cc1nc2ccccc2[nH]1
1.5	AttenGpKa training set	1	0	O=P(O)(O)Cc1[nH]c2ccccc2[nH+]1	O=P([O-])(O)Cc1[nH]c2ccccc2[nH+]1	mol28981	O=P(O)(O)Cc1nc2ccccc2[nH]1
14.65	AttenGpKa training set	-2	-3	O=P([O-])([O-])Cc1nc2ccccc2[nH]1	O=P([O-])([O-])Cc1nc2ccccc2[n-]1	mol28981	O=P(O)(O)Cc1nc2ccccc2[nH]1
7.41	AttenGpKa training set	-1	-2	O=P([O-])([O-])Cc1[nH]c2ccccc2[nH+]1,O=P([O-])(O)Cc1nc2ccccc2[nH]1	O=P([O-])([O-])Cc1nc2ccccc2[nH]1	mol28981	O=P(O)(O)Cc1nc2ccccc2[nH]1