[
  {
    "molid": "mol11578",
    "smiles": "O=c1[nH]c2ccc3c(c2[nH]1)CCCC3",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=c1[nH]c2ccc3c(c2[nH]1)CCCC3",
        "std_free_energy": -7.087950706481934,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=c1[n-]c2ccc3c(c2[nH]1)CCCC3",
        "std_free_energy": 5.740899085998535,
        "relative_population": 0.6227095251905617
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=c1[n-]c2c3c(ccc2[nH]1)CCCC3",
        "std_free_energy": 6.241963863372803,
        "relative_population": 0.3772904748094383
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 13.0,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]