[
  {
    "molid": "mol21577",
    "smiles": "CCCN1CCN(c2ccc(OC)cc2)CC1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCN1CCN(c2ccc(OC)cc2)CC1",
        "std_free_energy": -4.13770866394043,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCC[NH+]1CCN(c2ccc(OC)cc2)CC1",
        "std_free_energy": -8.182583808898926,
        "relative_population": 0.9877491269668696
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.88,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]