pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
-1.01	AttenGpKa training set	2	1	C[n+]1c(S)c[nH+]c2ccccc21	C[n+]1c([S-])c[nH+]c2ccccc21,C[n+]1c(S)cnc2ccccc21	mol26226	C[n+]1c(S)cnc2ccccc21