[
  {
    "molid": "mol8009",
    "smiles": "Cc1cn2cccnc2n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cn2cccnc2n1",
        "std_free_energy": -6.516088008880615,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1cn2cccnc2[nH+]1",
        "std_free_energy": -2.9448769092559814,
        "relative_population": 0.5987646111587117
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1cn2ccc[nH+]c2n1",
        "std_free_energy": -2.5445566177368164,
        "relative_population": 0.4012353888412884
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.1,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]