[
  {
    "molid": "mol13620",
    "smiles": "COc1nccc(C)n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1nccc(C)n1",
        "std_free_energy": -8.650165557861328,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "COc1nc(C)cc[nH+]1",
        "std_free_energy": 2.408034563064575,
        "relative_population": 0.4969396973343366
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "COc1nccc(C)[nH+]1",
        "std_free_energy": 2.3957931995391846,
        "relative_population": 0.5030603026656634
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.1,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 2.0999999,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 2.0,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]