[
  {
    "molid": "mol32136",
    "smiles": "CCN(CC)CCCC(C)Cc1ccnc2cc(Cl)ccc12",
    "microspecies": [
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CC[NH+](CC)CCC[C@@H](C)Cc1ccnc2cc(Cl)ccc12",
        "std_free_energy": -8.774864196777344,
        "relative_population": 0.9568713951421258
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "CC[NH+](CC)CCC[C@@H](C)Cc1cc[nH+]c2cc(Cl)ccc12",
        "std_free_energy": -4.139311790466309,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.8,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "OCHEM"
      }
    ]
  }
]