[
  {
    "molid": "mol34015",
    "smiles": "C[C@H](N)[C@H](O)c1ccc(O)c(O)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@H](N)[C@H](O)c1ccc(O)c(O)c1",
        "std_free_energy": -4.026198387145996,
        "relative_population": 0.39694152985469694
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "C[C@H]([NH3+])[C@H](O)c1ccc([O-])c(O)c1",
        "std_free_energy": -3.7129740715026855,
        "relative_population": 0.29019835566879093
      },
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "C[C@H]([NH3+])[C@H](O)c1ccc(O)c([O-])c1",
        "std_free_energy": -3.78816556930542,
        "relative_population": 0.31286011447651213
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "C[C@H]([NH3+])[C@H](O)c1ccc(O)c(O)c1",
        "std_free_energy": -9.398331642150879,
        "relative_population": 0.9991784613231762
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.75,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]