pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.85	AttenGpKa training set	0	-1	O=S(=O)(NCc1ccccc1)c1ccccn1	O=S(=O)([N-]Cc1ccccc1)c1ccccn1	mol28453	O=S(=O)(NCc1ccccc1)c1ccccn1