[
  {
    "molid": "mol35455",
    "smiles": "Cc1cc(O)n2nc(N)c(N=Nc3ccccc3)c2n1",
    "microspecies": [
      {
        "id": "0_4",
        "charge": 0,
        "smiles": "Cc1cc(O)n2nc(N)c(N=Nc3ccccc3)c2n1",
        "std_free_energy": -6.987913131713867,
        "relative_population": 0.999960777265285
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Cc1cc([O-])n2nc(N)c(N=Nc3ccccc3)c2n1",
        "std_free_energy": -3.1787216663360596,
        "relative_population": 0.9706151182191607
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.1100001335144,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]