[
  {
    "molid": "mol38110",
    "smiles": "O=C(OCC(=O)N1CCN(CCO)CC1)c1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(OCC(=O)N1CCN(CCO)CC1)c1ccccc1",
        "std_free_energy": -6.219790458679199,
        "relative_population": 1.0
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "O=C(OCC(=O)N1CC[NH+](CCO)CC1)c1ccccc1",
        "std_free_energy": -6.507105350494385,
        "relative_population": 0.9945919821116861
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.80000019073486,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]