[
  {
    "molid": "SM01",
    "smiles": "O=C1NCCCc2c1oc1ccc(O)cc21",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C1NCCCc2c1oc1ccc(O)cc21",
        "std_free_energy": -6.782630920410156,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C1NCCCc2c1oc1ccc([O-])cc21",
        "std_free_energy": 0.38408923149108887,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.53,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "SAMPL6"
      }
    ]
  }
]