[
  {
    "molid": "mol11407",
    "smiles": "Cc1cccc(CN(C)C)c1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cccc(C[NH+](C)C)c1[O-]",
        "std_free_energy": -3.8755075931549072,
        "relative_population": 0.4037411517555396
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Cc1cccc(CN(C)C)c1O",
        "std_free_energy": -4.265408515930176,
        "relative_population": 0.5962588482444604
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1cccc(C[NH+](C)C)c1O",
        "std_free_energy": -8.797279357910156,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1cccc(CN(C)C)c1[O-]",
        "std_free_energy": 5.540693283081055,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.1,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 11.1000003814697,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 8.3,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 8.18,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 8.1800003,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 8.30000019073486,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 8.06999969482422,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]