[
  {
    "molid": "mol35743",
    "smiles": "O=C(OCCOCCOC1CCCCO1)c1cc(C(=O)OCCOCCOC2CCCCO2)[nH]n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(OCCOCCO[C@H]1CCCCO1)c1cc(C(=O)OCCOCCO[C@H]2CCCCO2)[nH]n1",
        "std_free_energy": -5.59220552444458,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C(OCCOCCO[C@H]1CCCCO1)c1cc(C(=O)OCCOCCO[C@H]2CCCCO2)[n-]n1",
        "std_free_energy": -1.3481824398040771,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.03999996185303,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]