[
  {
    "molid": "mol14116",
    "smiles": "OC(O)=C(O)c1ccccc1",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-]C(O)=C(O)c1ccccc1",
        "std_free_energy": -5.370874881744385,
        "relative_population": 0.8635270386993181
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "[O-]C(=C(O)O)c1ccccc1",
        "std_free_energy": -3.5259761810302734,
        "relative_population": 0.13647296130068184
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "[O-]C(O)=C([O-])c1ccccc1",
        "std_free_energy": 5.286855220794678,
        "relative_population": 0.6936168676245358
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "[O-]C([O-])=C(O)c1ccccc1",
        "std_free_energy": 6.103938579559326,
        "relative_population": 0.3063831323754642
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.39,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 6.3899998664856,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 6.62,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]