[
  {
    "molid": "mol17155",
    "smiles": "O=c1c2ccccc2n(CCCCN2CCCCC2)c2ccc(Cl)cc12",
    "microspecies": [
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "O=c1c2ccccc2n(CCCC[NH+]2CCCCC2)c2ccc(Cl)cc12",
        "std_free_energy": -8.885726928710938,
        "relative_population": 1.0
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "[OH+]=c1c2ccccc2n(CCCC[NH+]2CCCCC2)c2ccc(Cl)cc12",
        "std_free_energy": 5.684731483459473,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.36,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "OCHEM"
      }
    ]
  }
]