[
  {
    "molid": "mol32796",
    "smiles": "CC1=Nc2ccccc2C1=CC=C1Cc2ccccc2N1C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC1=Nc2ccccc2C1=CC=C1Cc2ccccc2N1C",
        "std_free_energy": -5.684545516967773,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CC1=[NH+]c2ccccc2C1=CC=C1Cc2ccccc2N1C",
        "std_free_energy": -1.395951747894287,
        "relative_population": 0.17522164600305398
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CC1=Nc2ccccc2C1=CC=C1Cc2ccccc2[NH+]1C",
        "std_free_energy": -2.945014715194702,
        "relative_population": 0.824778353996946
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.22,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]