pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.61	AttenGpKa training set	0	-1	O=C(c1ccc(F)c(F)c1)c1ccc2[nH]c(=O)oc2c1	O=C(c1ccc(F)c(F)c1)c1ccc2[n-]c(=O)oc2c1	mol30311	O=C1Nc2ccc(C(=O)c3ccc(F)c(F)c3)cc2O1