[
  {
    "molid": "mol37051",
    "smiles": "Cc1ncc(CO)c(C=N[C@H](C(=O)O)C(C)C)c1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1[nH+]cc(CO)c(C=N[C@H](C(=O)[O-])C(C)C)c1O",
        "std_free_energy": -7.055437088012695,
        "relative_population": 0.09729278090205237
      },
      {
        "id": "0_6",
        "charge": 0,
        "smiles": "Cc1ncc(CO)c(C=[NH+][C@H](C(=O)[O-])C(C)C)c1O",
        "std_free_energy": -9.272063255310059,
        "relative_population": 0.8927896149092333
      },
      {
        "id": "-1_5",
        "charge": -1,
        "smiles": "Cc1ncc(CO)c(C=N[C@H](C(=O)[O-])C(C)C)c1O",
        "std_free_energy": -8.143644332885742,
        "relative_population": 0.9508075590774967
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.59999990463257,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]