[
  {
    "molid": "mol37484",
    "smiles": "Oc1c2cccc1COCCNCCOCCOCCNCCOC2",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "[O-]c1c2cccc1COCC[NH2+]CCOCCOCCNCCOC2",
        "std_free_energy": -0.8800973892211914,
        "relative_population": 0.09810258869859062
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Oc1c2cccc1COCCNCCOCCOCCNCCOC2",
        "std_free_energy": -3.0985844135284424,
        "relative_population": 0.9018974113014093
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-]c1c2cccc1COCCNCCOCCOCCNCCOC2",
        "std_free_energy": 5.782976150512695,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.1599998474121,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]