[
  {
    "molid": "mol37501",
    "smiles": "Oc1c2ccccc2c(O)c2c(N3CCOCC3)cccc12",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-]c1c2ccccc2c(O)c2cccc(N3CCOCC3)c12",
        "std_free_energy": -1.307407259941101,
        "relative_population": 0.11004318554851271
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "[O-]c1c2ccccc2c(O)c2c(N3CCOCC3)cccc12",
        "std_free_energy": -3.3975300788879395,
        "relative_population": 0.8897990970467932
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "[O-]c1c2ccccc2c([O-])c2c(N3CCOCC3)cccc12",
        "std_free_energy": 8.83387565612793,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.8500003814697,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]