pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.66	AttenGpKa training set	1	0	C[n+]1cccnc1S	C[n+]1cccnc1[S-]	mol25717	C[n+]1cccnc1S