[
  {
    "molid": "mol28391",
    "smiles": "O=C(NS(=O)(=O)F)c1ccsc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(NS(=O)(=O)F)c1ccsc1",
        "std_free_energy": -2.7086527347564697,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([N-]S(=O)(=O)F)c1ccsc1",
        "std_free_energy": -10.564203262329102,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.44,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]