[
  {
    "molid": "mol7740",
    "smiles": "Fc1ccc(S)c2ncccc12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Fc1ccc([S-])c2[nH+]cccc12",
        "std_free_energy": -3.945936679840088,
        "relative_population": 0.1070909535739107
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Fc1ccc(S)c2ncccc12",
        "std_free_energy": -6.066742897033691,
        "relative_population": 0.8929090464260894
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Fc1ccc(S)c2[nH+]cccc12",
        "std_free_energy": 3.9402356147766113,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Fc1ccc([S-])c2ncccc12",
        "std_free_energy": -2.9874532222747803,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.44,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 1.97,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]