[
  {
    "molid": "mol13975",
    "smiles": "c1coc(C2CN3CCC2CC3)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "c1coc([C@H]2CN3CCC2CC3)c1",
        "std_free_energy": -1.0958338975906372,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "c1coc([C@H]2C[NH+]3CCC2CC3)c1",
        "std_free_energy": -9.447011947631836,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.03,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 10.0299997329712,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]