pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
-3.7	AttenGpKa training set	2	1	Brc1cccc(-n2c[nH+][nH+]n2)c1,Brc1cccc(-n2c[nH+]n[nH+]2)c1,Brc1cccc(-n2cn[nH+][nH+]2)c1	Brc1cccc(-n2c[nH+]nn2)c1,Brc1cccc(-n2cn[nH+]n2)c1,Brc1cccc(-n2cnn[nH+]2)c1	mol25995	Brc1cccc(-n2cnnn2)c1