[
  {
    "molid": "mol20469",
    "smiles": "O=C1OC(C(O)CO)C(OCCCCC(CO[N+](=O)[O-])O[N+](=O)[O-])=C1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C1O[C@H]([C@@H](O)CO)C(OCCCC[C@H](CO[N+](=O)[O-])O[N+](=O)[O-])=C1O",
        "std_free_energy": -3.669320583343506,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C1O[C@H]([C@@H](O)CO)C(OCCCC[C@H](CO[N+](=O)[O-])O[N+](=O)[O-])=C1[O-]",
        "std_free_energy": -4.001062870025635,
        "relative_population": 0.9992065244170675
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.64,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]