pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.98	AttenGpKa training set	0	-1	O=C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2c(F)c(F)c(F)c(F)c21	O=C1OC2(c3ccc([O-])cc3Oc3cc(O)ccc32)c2c(F)c(F)c(F)c(F)c21	mol30992	O=C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2c(F)c(F)c(F)c(F)c21
6.285	AttenGpKa training set	0	-1	O=C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2c(F)c(F)c(F)c(F)c21	O=C1OC2(c3ccc([O-])cc3Oc3cc(O)ccc32)c2c(F)c(F)c(F)c(F)c21	mol30992	O=C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2c(F)c(F)c(F)c(F)c21