[
  {
    "molid": "mol37763",
    "smiles": "O=C1O[C@H]([C@@H](O)CO)C(ON=Nc2ccc(Cl)cc2)=C1O",
    "microspecies": [
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "O=C1O[C@H]([C@@H](O)CO)C(ON=Nc2ccc(Cl)cc2)=C1[O-]",
        "std_free_energy": -6.640898704528809,
        "relative_population": 0.9999767306514106
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C1O[C@H]([C@@H](O)C[O-])C(ON=Nc2ccc(Cl)cc2)=C1[O-]",
        "std_free_energy": 6.378878593444824,
        "relative_population": 0.1638254848432024
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "O=C1O[C@H]([C@@H]([O-])C[O-])C(ON=Nc2ccc(Cl)cc2)=C1O",
        "std_free_energy": 5.222433567047119,
        "relative_population": 0.520737861821835
      },
      {
        "id": "-2_3",
        "charge": -2,
        "smiles": "O=C1O[C@H]([C@@H]([O-])CO)C(ON=Nc2ccc(Cl)cc2)=C1[O-]",
        "std_free_energy": 5.723722457885742,
        "relative_population": 0.31543665333496257
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.1000003814697,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]