[
  {
    "molid": "mol25218",
    "smiles": "Oc1nc[nH]n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Oc1nc[nH]n1",
        "std_free_energy": -6.109227180480957,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-]c1nc[nH]n1",
        "std_free_energy": -2.2409353256225586,
        "relative_population": 0.6169395782225349
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Oc1nc[n-]n1",
        "std_free_energy": -1.7643569707870483,
        "relative_population": 0.38306042177746513
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.11,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]