[
  {
    "molid": "mol36559",
    "smiles": "CNc1ccncc1C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CNc1cc[nH+]cc1C(=O)[O-]",
        "std_free_energy": -12.070335388183594,
        "relative_population": 0.6655442272074938
      },
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "C[NH2+]c1ccncc1C(=O)[O-]",
        "std_free_energy": -11.3815279006958,
        "relative_population": 0.33421938051549743
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CNc1ccncc1C(=O)[O-]",
        "std_free_energy": -5.839242458343506,
        "relative_population": 0.9999688082484662
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.19999980926514,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]