[
  {
    "molid": "mol1517",
    "smiles": "CCNC[C@H](O)c1cccc(O)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCNC[C@H](O)c1cccc(O)c1",
        "std_free_energy": -3.0846261978149414,
        "relative_population": 0.4154622251750917
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CC[NH2+]C[C@H](O)c1cccc([O-])c1",
        "std_free_energy": -3.426055908203125,
        "relative_population": 0.5845377748249083
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CC[NH2+]C[C@H](O)c1cccc(O)c1",
        "std_free_energy": -9.610021591186523,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.983,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Hunt"
      }
    ]
  }
]