[
  {
    "molid": "mol5078",
    "smiles": "Cc1cc(Cl)c2ccc3cccnc3c2n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cc(Cl)c2ccc3cccnc3c2n1",
        "std_free_energy": -6.52139949798584,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1cc(Cl)c2ccc3ccc[nH+]c3c2n1",
        "std_free_energy": -0.9517912268638611,
        "relative_population": 0.5235420756844006
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1cc(Cl)c2ccc3cccnc3c2[nH+]1",
        "std_free_energy": -0.857553243637085,
        "relative_population": 0.47645792431559947
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.53,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]