pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.0	AttenGpKa training set	1	0	C[n+]1c([NH3+])cc(=O)[nH]c1[S-],C[n+]1c(N)cc(=O)[nH]c1S	C[n+]1c(N)cc(=O)[nH]c1[S-],C[n+]1c(N)cc(=O)[n-]c1S	mol25764	C[n+]1c(N)cc(=O)[nH]c1S