[
  {
    "molid": "mol11421",
    "smiles": "CCCCCCCc1n[nH]c(=O)[nH]c1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCCCCCc1n[nH]c(=O)[nH]c1=O",
        "std_free_energy": -5.666025638580322,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCCCCCCc1n[n-]c(=O)[nH]c1=O",
        "std_free_energy": -2.72213077545166,
        "relative_population": 0.16759750672592405
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CCCCCCCc1n[nH]c(=O)[n-]c1=O",
        "std_free_energy": -4.324881553649902,
        "relative_population": 0.832402493274076
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.8,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]