[
  {
    "molid": "mol26666",
    "smiles": "Nc1c2ccccc2nc2cccc(Cl)c12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Nc1c2ccccc2nc2cccc(Cl)c12",
        "std_free_energy": -4.581552505493164,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "[NH3+]c1c2ccccc2nc2cccc(Cl)c12",
        "std_free_energy": -8.832388877868652,
        "relative_population": 0.46172539577423666
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Nc1c2ccccc2[nH+]c2cccc(Cl)c12",
        "std_free_energy": -8.985787391662598,
        "relative_population": 0.5382746042257633
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.4,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]