[
  {
    "molid": "mol9189",
    "smiles": "O=C1CCNC(=O)N1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C1CCNC(=O)N1",
        "std_free_energy": -7.120133876800537,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C1CCNC(=O)[N-]1",
        "std_free_energy": 4.540299415588379,
        "relative_population": 0.2837800823065074
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C1CC[N-]C(=O)N1",
        "std_free_energy": 3.614511728286743,
        "relative_population": 0.7162199176934927
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.74,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 11.66,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]