[
  {
    "molid": "mol15089",
    "smiles": "CCCCCCCCCCc1c(-c2ccccc2)n[nH]c1O",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CCCCCCCCCCc1c(-c2ccccc2)n[nH]c1O",
        "std_free_energy": -6.838027477264404,
        "relative_population": 0.9999997954585335
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCCCCCCCCCc1c(-c2ccccc2)n[nH]c1[O-]",
        "std_free_energy": 4.588852882385254,
        "relative_population": 0.27175235699721767
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CCCCCCCCCCc1c(-c2ccccc2)n[n-]c1O",
        "std_free_energy": 3.603102922439575,
        "relative_population": 0.7282476430027823
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.0,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      }
    ]
  }
]