[
  {
    "molid": "mol12616",
    "smiles": "CN(C)/C=N/c1cccc(O)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN(C)/C=N/c1cccc(O)c1",
        "std_free_energy": -3.8382728099823,
        "relative_population": 0.4568665155680832
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CN(C)/C=[NH+]/c1cccc([O-])c1",
        "std_free_energy": -4.011236667633057,
        "relative_population": 0.5431334844319168
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CN(C)/C=[NH+]/c1cccc(O)c1",
        "std_free_energy": -8.090234756469727,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CN(C)/C=N/c1cccc([O-])c1",
        "std_free_energy": 3.7755017280578613,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.23,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 7.88,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 7.88000011444092,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]