[
  {
    "molid": "mol32611",
    "smiles": "C=CC1(O)CC(C)NC2CCCCC21",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C=C[C@@]1(O)C[C@H](C)N[C@H]2CCCC[C@@H]21",
        "std_free_energy": -1.5245989561080933,
        "relative_population": 1.0
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "C=C[C@@]1(O)C[C@H](C)[NH2+][C@H]2CCCC[C@@H]21",
        "std_free_energy": -9.465070724487305,
        "relative_population": 0.9968591278498244
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.7733335,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]