[
  {
    "molid": "mol37527",
    "smiles": "Oc1ccc(Nc2nnn[nH]2)cc1",
    "microspecies": [
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "Oc1ccc(Nc2nnn[nH]2)cc1",
        "std_free_energy": -6.314189910888672,
        "relative_population": 0.999999816553191
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Oc1ccc(Nc2nnn[n-]2)cc1",
        "std_free_energy": -6.524746417999268,
        "relative_population": 0.9939462964725334
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.31899976730347,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]