[
  {
    "molid": "mol15388",
    "smiles": "CCCCCCCCCc1c(O)n[nH]c1-c1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCCCCCCCc1c(O)n[nH]c1-c1ccccc1",
        "std_free_energy": -7.321859359741211,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCCCCCCCCc1c([O-])n[nH]c1-c1ccccc1",
        "std_free_energy": 3.1962735652923584,
        "relative_population": 0.3033339807939717
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CCCCCCCCCc1c(O)n[n-]c1-c1ccccc1",
        "std_free_energy": 2.3648018836975098,
        "relative_population": 0.6966660192060282
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.6,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      }
    ]
  }
]