[
  {
    "molid": "mol9473",
    "smiles": "O=c1cc(C(F)(F)F)[nH]c(=O)[nH]1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=c1cc(C(F)(F)F)[nH]c(=O)[nH]1",
        "std_free_energy": -4.022148609161377,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=c1cc(C(F)(F)F)[n-]c(=O)[nH]1",
        "std_free_energy": -4.514626502990723,
        "relative_population": 0.8011079193211705
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=c1cc(C(F)(F)F)[nH]c(=O)[n-]1",
        "std_free_energy": -3.1213932037353516,
        "relative_population": 0.1988920806788294
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=c1cc(C(F)(F)F)[n-]c(=O)[n-]1",
        "std_free_energy": 3.204515218734741,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.7,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 13.0,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]