[
  {
    "molid": "mol32671",
    "smiles": "CCC12CCCN3CCc4c(n(c5ccccc45)CC1)C32",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC[C@]12CCCN3CCc4c(n(c5ccccc45)CC1)[C@@H]32",
        "std_free_energy": -6.170392990112305,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CC[C@]12CCC[NH+]3CCc4c(n(c5ccccc45)CC1)[C@@H]32",
        "std_free_energy": -6.762988090515137,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.9000001,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]