[
  {
    "molid": "mol10856",
    "smiles": "COc1ccc(C(=O)O)c(C(=O)O)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1ccc(C(=O)O)c(C(=O)O)c1",
        "std_free_energy": -1.3549100160598755,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COc1ccc(C(=O)[O-])c(C(=O)O)c1",
        "std_free_energy": -8.359455108642578,
        "relative_population": 0.31374328354360087
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "COc1ccc(C(=O)O)c(C(=O)[O-])c1",
        "std_free_energy": -9.142131805419922,
        "relative_population": 0.6862567164563991
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "COc1ccc(C(=O)[O-])c(C(=O)[O-])c1",
        "std_free_energy": -12.321632385253906,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.67,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 3.0,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 2.67000007629395,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 5.16,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 4.9,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 5.15999984741211,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]