[
  {
    "molid": "mol33968",
    "smiles": "Nc1cccc(S)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Nc1cccc(S)c1",
        "std_free_energy": -4.873854160308838,
        "relative_population": 0.9991198708609387
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Nc1cccc([S-])c1",
        "std_free_energy": -3.93575382232666,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.53999996185303,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]