[
  {
    "molid": "mol11064",
    "smiles": "CCn1c(=O)c2[nH]c(=O)[nH]c2n(CC)c1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCn1c(=O)c2[nH]c(=O)[nH]c2n(CC)c1=O",
        "std_free_energy": -5.257421493530273,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCn1c(=O)c2[n-]c(=O)[nH]c2n(CC)c1=O",
        "std_free_energy": -4.731061935424805,
        "relative_population": 0.38478819491543004
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CCn1c(=O)c2[nH]c(=O)[n-]c2n(CC)c1=O",
        "std_free_energy": -5.200335502624512,
        "relative_population": 0.61521180508457
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.75,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]