[
  {
    "molid": "mol9345",
    "smiles": "O=C(O)c1cc[nH]c(=O)n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C([O-])c1cc[nH]c(=O)[nH+]1",
        "std_free_energy": -2.3936104774475098,
        "relative_population": 0.26752368707144975
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "O=C(O)c1cc[nH]c(=O)n1",
        "std_free_energy": -3.4008333683013916,
        "relative_population": 0.7324763129285502
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])c1cc[nH]c(=O)n1",
        "std_free_energy": -11.170297622680664,
        "relative_population": 0.9990566621171212
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C([O-])c1cc[n-]c(=O)n1",
        "std_free_energy": -2.5749897956848145,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.8,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 8.4,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]