[
  {
    "molid": "mol9671",
    "smiles": "Cc1cnc(C(=O)O)cn1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Cc1c[nH+]c(C(=O)[O-])cn1",
        "std_free_energy": -4.305140495300293,
        "relative_population": 0.14033117430995048
      },
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "Cc1cnc(C(=O)O)cn1",
        "std_free_energy": -6.077908515930176,
        "relative_population": 0.8261473773613137
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1cnc(C(=O)[O-])cn1",
        "std_free_energy": -14.202980041503906,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.85,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 3.13,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 2.06,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]