[
  {
    "molid": "mol36028",
    "smiles": "Cc1nnc(N=Nc2ccc(O)cc2O)s1",
    "microspecies": [
      {
        "id": "0_14",
        "charge": 0,
        "smiles": "Cc1nnc(N=Nc2ccc(O)cc2O)s1",
        "std_free_energy": -5.752852916717529,
        "relative_population": 0.9999362601763019
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1nnc(N=Nc2ccc(O)cc2[O-])s1",
        "std_free_energy": -3.1722896099090576,
        "relative_population": 0.37471544221558684
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "Cc1nnc(N=Nc2ccc([O-])cc2O)s1",
        "std_free_energy": -3.6842010021209717,
        "relative_population": 0.6252041956227234
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.71999979019165,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]