[
  {
    "molid": "mol8011",
    "smiles": "c1ncc2[nH]ccc2n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "c1ncc2[nH]ccc2n1",
        "std_free_energy": -7.720183372497559,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "c1cc2[nH+]cncc2[nH]1",
        "std_free_energy": -0.054552897810935974,
        "relative_population": 0.6168861025428009
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "c1cc2nc[nH+]cc2[nH]1",
        "std_free_energy": 0.4217991828918457,
        "relative_population": 0.38311389745719926
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "c1ncc2[n-]ccc2n1",
        "std_free_energy": 3.07368803024292,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 13.16,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 4.24,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]