[
  {
    "molid": "mol14537",
    "smiles": "C(=C/CN1CCCCC1)\\CN1CCCCC1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C(=C/CN1CCCCC1)\\CN1CCCCC1",
        "std_free_energy": -0.7979421615600586,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C(=C/C[NH+]1CCCCC1)\\CN1CCCCC1",
        "std_free_energy": -7.994588851928711,
        "relative_population": 1.0
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "C(=C/C[NH+]1CCCCC1)\\C[NH+]1CCCCC1",
        "std_free_energy": -11.113408088684082,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.7,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 7.9,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "Datawarrior"
      }
    ]
  }
]