[
  {
    "molid": "mol38357",
    "smiles": "CC1=CC(=O)N(CCN2CCN(c3cccc4c3OCCO4)CC2)C1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC1=CC(=O)N(CCN2CCN(c3cccc4c3OCCO4)CC2)C1=O",
        "std_free_energy": -5.746918678283691,
        "relative_population": 1.0
      },
      {
        "id": "1_4",
        "charge": 1,
        "smiles": "CC1=CC(=O)N(CC[NH+]2CCN(c3cccc4c3OCCO4)CC2)C1=O",
        "std_free_energy": -7.023585319519043,
        "relative_population": 0.9596212891486391
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.30000019073486,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]