[
  {
    "molid": "mol38038",
    "smiles": "O=C(O)[C@@H]1OCCNCCOCCOCCNCCO[C@H]1C(=O)O",
    "microspecies": [
      {
        "id": "0_4",
        "charge": 0,
        "smiles": "O=C([O-])[C@@H]1OCC[NH2+]CCOCCOCC[NH2+]CCO[C@H]1C(=O)[O-]",
        "std_free_energy": -14.096851348876953,
        "relative_population": 0.9983147344885858
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "O=C([O-])[C@@H]1OCCNCCOCCOCC[NH2+]CCO[C@H]1C(=O)[O-]",
        "std_free_energy": -11.297383308410645,
        "relative_population": 0.9978106701025895
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.36999988555908,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]