[
  {
    "molid": "mol19627",
    "smiles": "O=C1NC2(CCc3ccccc32)C(=O)N1CCCN1CCN(c2cccc(Cl)c2)CC1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C1N[C@]2(CCc3ccccc32)C(=O)N1CCCN1CCN(c2cccc(Cl)c2)CC1",
        "std_free_energy": -5.5548505783081055,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C1[N-][C@]2(CCc3ccccc32)C(=O)N1CCCN1CCN(c2cccc(Cl)c2)CC1",
        "std_free_energy": 2.364814043045044,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.31,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]