[
  {
    "molid": "mol10845",
    "smiles": "Cc1ccc(C(=O)O)c(C(=O)O)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ccc(C(=O)O)c(C(=O)O)c1",
        "std_free_energy": -1.5384953022003174,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1ccc(C(=O)[O-])c(C(=O)O)c1",
        "std_free_energy": -9.06649398803711,
        "relative_population": 0.4438108650395967
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Cc1ccc(C(=O)O)c(C(=O)[O-])c1",
        "std_free_energy": -9.292203903198242,
        "relative_population": 0.5561891349604032
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "Cc1ccc(C(=O)[O-])c(C(=O)[O-])c1",
        "std_free_energy": -12.122937202453613,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.04,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 3.40000009536743,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 5.26,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 5.26000022888184,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]