[
  {
    "molid": "mol9622",
    "smiles": "Oc1cc(Cl)c(O)c(Cl)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Oc1cc(Cl)c(O)c(Cl)c1",
        "std_free_energy": -4.864983558654785,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-]c1c(Cl)cc(O)cc1Cl",
        "std_free_energy": -3.4402551651000977,
        "relative_population": 0.7717741299090155
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "[O-]c1cc(Cl)c(O)c(Cl)c1",
        "std_free_energy": -2.2218990325927734,
        "relative_population": 0.22822587009098458
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "[O-]c1cc(Cl)c([O-])c(Cl)c1",
        "std_free_energy": 5.701231956481934,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.38,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 7.34,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 7.3,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 7.315,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 10.16,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 10.06,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 9.99,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 10.0,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "OCHEM"
      }
    ]
  }
]