[
  {
    "molid": "mol9472",
    "smiles": "O=c1[nH]cc(C(F)(F)F)c(=O)[nH]1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=c1[nH]cc(C(F)(F)F)c(=O)[nH]1",
        "std_free_energy": -4.243884563446045,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=c1[n-]cc(C(F)(F)F)c(=O)[nH]1",
        "std_free_energy": -3.6830039024353027,
        "relative_population": 0.5502353209467413
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=c1[n-]c(=O)c(C(F)(F)F)c[nH]1",
        "std_free_energy": -3.481382369995117,
        "relative_population": 0.4497646790532587
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.35,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]