[
  {
    "molid": "mol36537",
    "smiles": "CNC(=S)N(C)/N=C/c1c(CO)cnc(C)c1O",
    "microspecies": [
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "CNC(=S)N(C)/N=C/c1c(CO)cnc(C)c1O",
        "std_free_energy": -5.724743843078613,
        "relative_population": 0.7698906907772841
      },
      {
        "id": "0_5",
        "charge": 0,
        "smiles": "CNC(=S)N(C)/N=C/c1c(CO)c[nH+]c(C)c1[O-]",
        "std_free_energy": -4.466248512268066,
        "relative_population": 0.21871143530131965
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CNC(=S)N(C)/N=C/c1c(CO)cnc(C)c1[O-]",
        "std_free_energy": -1.0508354902267456,
        "relative_population": 0.9153181661193167
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "C[N-]C(=S)N(C)/N=C/c1c(CO)cnc(C)c1O",
        "std_free_energy": 1.33001708984375,
        "relative_population": 0.08464103085277848
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.53999996185303,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]