pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.7	Baltruschat ChEMBL	0	-1	FC(F)(F)c1nnn[nH]1	FC(F)(F)c1nnn[n-]1	mol17831	FC(F)(F)c1nnn[nH]1
1.42	AttenGpKa training set	0	-1	FC(F)(F)c1nnn[nH]1	FC(F)(F)c1nnn[n-]1	mol17831	FC(F)(F)c1nnn[nH]1
-7.0	AttenGpKa training set	1	0	FC(F)(F)c1n[nH+]n[nH]1,FC(F)(F)c1[nH]nn[nH+]1,FC(F)(F)c1nn[nH+][nH]1	FC(F)(F)c1nnn[nH]1	mol17831	FC(F)(F)c1nnn[nH]1