[
  {
    "molid": "mol33933",
    "smiles": "Oc1c(CN2CCCCC2)ccc(CN2CCCCC2)c1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "[O-]c1c(CN2CCCCC2)ccc(C[NH+]2CCCCC2)c1O",
        "std_free_energy": -3.4414472579956055,
        "relative_population": 0.2298158917833992
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "[O-]c1c(C[NH+]2CCCCC2)ccc(CN2CCCCC2)c1O",
        "std_free_energy": -4.597092151641846,
        "relative_population": 0.729911585836476
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "[O-]c1c(CN2CCCCC2)ccc(CN2CCCCC2)c1O",
        "std_free_energy": 5.389248371124268,
        "relative_population": 0.9765672159682285
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 12.1400003433228,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]