[
  {
    "molid": "mol1700",
    "smiles": "C[N+]1(CCN(c2ccccc2)c2ccccc2)CCCCC1",
    "microspecies": [
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[N+]1(CCN(c2ccccc2)c2ccccc2)CCCCC1",
        "std_free_energy": -8.604307174682617,
        "relative_population": 1.0
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "C[N+]1(CC[NH+](c2ccccc2)c2ccccc2)CCCCC1",
        "std_free_energy": 0.6071591973304749,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": -1.5,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "OCHEM"
      }
    ]
  }
]