[
  {
    "molid": "mol35190",
    "smiles": "CCCC(N)c1cc(O)no1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCC[C@H](N)c1cc(O)no1",
        "std_free_energy": -3.839343547821045,
        "relative_population": 0.07102809717474698
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CCC[C@H]([NH3+])c1cc([O-])no1",
        "std_free_energy": -6.410346508026123,
        "relative_population": 0.928971902825253
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CCC[C@H]([NH3+])c1cc(O)no1",
        "std_free_energy": -4.22773551940918,
        "relative_population": 0.9314825369447857
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.69000005722046,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]