[
  {
    "molid": "mol14756",
    "smiles": "CC(C)CN[C@H](c1ccccc1)[C@H](O)c1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(C)CN[C@H](c1ccccc1)[C@H](O)c1ccccc1",
        "std_free_energy": -0.08532659709453583,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CC(C)C[NH2+][C@H](c1ccccc1)[C@H](O)c1ccccc1",
        "std_free_energy": -11.62765121459961,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.34,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      }
    ]
  }
]