[
  {
    "molid": "mol35094",
    "smiles": "CSc1ncnc2[nH]c[n+]([O-])c12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CSc1ncnc2[nH]c[n+]([O-])c12",
        "std_free_energy": -5.599200248718262,
        "relative_population": 0.9999104831052894
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CSc1ncnc2[n-]c[n+]([O-])c12",
        "std_free_energy": -4.855384349822998,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.8899998664856,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]