[
  {
    "molid": "mol15145",
    "smiles": "CC(C)(C)C1CCn2nnnc2C(C(=O)O)C1",
    "microspecies": [
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "CC(C)(C)[C@@H]1CCn2nnnc2[C@H](C(=O)O)C1",
        "std_free_energy": -4.011571407318115,
        "relative_population": 0.999971227065585
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(C)(C)[C@@H]1CCn2nnnc2[C@H](C(=O)[O-])C1",
        "std_free_energy": -9.236455917358398,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.4,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 4.4000001,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]