[
  {
    "molid": "mol4811",
    "smiles": "Oc1ncc2nccnc2n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Oc1ncc2nccnc2n1",
        "std_free_energy": -6.62980318069458,
        "relative_population": 0.9999838399249805
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-]c1ncc2nccnc2n1",
        "std_free_energy": -3.3353865146636963,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.69999980926514,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 7.7,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]