pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
-1.96	AttenGpKa training set	1	0	Cc1[nH+]nnn1-c1ccccc1,Cc1nn[nH+]n1-c1ccccc1,Cc1n[nH+]nn1-c1ccccc1	Cc1nnnn1-c1ccccc1	mol25396	Cc1nnnn1-c1ccccc1
