pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.56	AttenGpKa training set	1	0	C[n+]1c[nH+]ccc1[S-],C[n+]1cnccc1S	C[n+]1cnccc1[S-]	mol25716	C[n+]1cnccc1S