[
  {
    "molid": "mol38352",
    "smiles": "CC1(C)CC(=O)N(CCN2CCN(c3cccc4c3OCCO4)CC2)C(=O)C1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC1(C)CC(=O)N(CCN2CCN(c3cccc4c3OCCO4)CC2)C(=O)C1",
        "std_free_energy": -5.857595443725586,
        "relative_population": 1.0
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CC1(C)CC(=O)N(CC[NH+]2CCN(c3cccc4c3OCCO4)CC2)C(=O)C1",
        "std_free_energy": -7.250796318054199,
        "relative_population": 0.9813253093324403
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.42000007629395,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]