[
  {
    "molid": "mol34531",
    "smiles": "C(COCCOCCc1nnn[nH]1)OCCOCCc1nnn[nH]1",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C(COCCOCCc1nnn[nH]1)OCCOCCc1nnn[n-]1",
        "std_free_energy": -6.791391372680664,
        "relative_population": 1.0
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "C(COCCOCCc1nnn[n-]1)OCCOCCc1nnn[n-]1",
        "std_free_energy": -9.014530181884766,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.48000001907349,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]