[
  {
    "molid": "euroSAMPL-04",
    "smiles": "CC(C)(C)c1cc(N)ncn1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(C)(C)c1cc(N)ncn1",
        "std_free_energy": -5.899157524108887,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CC(C)(C)c1cc(N)[nH+]cn1",
        "std_free_energy": -2.9889068603515625,
        "relative_population": 0.3534241694024207
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CC(C)(C)c1cc([NH3+])ncn1",
        "std_free_energy": -2.852626323699951,
        "relative_population": 0.30839715356483227
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "CC(C)(C)c1cc(N)nc[nH+]1",
        "std_free_energy": -2.944812297821045,
        "relative_population": 0.33817867703274695
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.1,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "euroSAMPL1"
      }
    ]
  }
]