[
  {
    "molid": "mol18578",
    "smiles": "S=C(N/N=C/c1cccc(-c2nnn[nH]2)c1)NC1CCCCC1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "S=C(N/N=C/c1cccc(-c2nnn[nH]2)c1)NC1CCCCC1",
        "std_free_energy": -4.81980037689209,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "S=C(N/N=C/c1cccc(-c2nnn[n-]2)c1)NC1CCCCC1",
        "std_free_energy": -9.301085472106934,
        "relative_population": 0.9998295966838217
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.2,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]