[
  {
    "molid": "mol11586",
    "smiles": "CCOC(=O)c1n[nH]c2c(c1=O)c(=O)n(C)c(=O)n2C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCOC(=O)c1n[nH]c2c(c1=O)c(=O)n(C)c(=O)n2C",
        "std_free_energy": -5.830072402954102,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCOC(=O)c1n[n-]c2c(c1=O)c(=O)n(C)c(=O)n2C",
        "std_free_energy": -4.148151397705078,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.32,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 7.3200002,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]