{
  "route": {
    "id": "cmisbzzq300a019ddkkhed2o2",
    "signature": "255de848fbf1e316ed885adc93f8d2e0d7f807e679c8bd67ea7d9988ac225a0e",
    "contentHash": "b53a477475d754ba0aa3ee64d4f307b4356dcd07b05ede3740969bfe6205df61",
    "length": 2,
    "isConvergent": false
  },
  "target": {
    "id": "cmisc0cqg006ha8ddpqftvsv8",
    "benchmarkSetId": "cmisc0cnd0000a8dd4g4pdf0s",
    "targetId": "n5-09555",
    "moleculeId": "i7x0wxagxsclfd2thjn1c2k7",
    "routeLength": 2,
    "isConvergent": false,
    "metadata": "{}",
    "molecule": {
      "id": "i7x0wxagxsclfd2thjn1c2k7",
      "inchikey": "HXJGWHFQEQJLQP-UHFFFAOYSA-N",
      "smiles": "Cc1nc(NC(=O)n2ccnc2)sc1-c1csc(CC#N)n1"
    },
    "hasAcceptableRoutes": true,
    "acceptableRoutesCount": 1
  },
  "rootNode": {
    "id": "cmisbzzq400a119ddha1zqfll",
    "routeId": "cmisbzzq300a019ddkkhed2o2",
    "moleculeId": "i7x0wxagxsclfd2thjn1c2k7",
    "parentId": null,
    "isLeaf": false,
    "reactionHash": null,
    "template": null,
    "metadata": "{\"ID\":\"US20080188531A1;0442;597533\",\"rsmi\":\"[CH3:1][c:2]1[c:3](-[c:4]2[cH:5][s:6][c:7]([CH2:8][C:9]#[N:10])[n:11]2)[s:12][c:13]([NH2:14])[n:22]1.c1cn([C:15](=[O:16])[n:17]2[cH:18][cH:19][n:20][cH:21]2)cn1>CCN(CC)CC.CN(C)C=O.ClCCl>[CH3:1][c:2]1[c:3](-[c:4]2[cH:5][s:6][c:7]([CH2:8][C:9]#[N:10])[n:11]2)[s:12][c:13]([NH:14][C:15](=[O:16])[n:17]2[cH:18][cH:19][n:20][cH:21]2)[n:22]1\"}",
    "molecule": {
      "id": "i7x0wxagxsclfd2thjn1c2k7",
      "inchikey": "HXJGWHFQEQJLQP-UHFFFAOYSA-N",
      "smiles": "Cc1nc(NC(=O)n2ccnc2)sc1-c1csc(CC#N)n1"
    },
    "children": [
      {
        "id": "cmisbzzq400a219ddeq77c5q2",
        "routeId": "cmisbzzq300a019ddkkhed2o2",
        "moleculeId": "wm7r71rjgf6ud9u5t5jxj650",
        "parentId": "cmisbzzq400a119ddha1zqfll",
        "isLeaf": false,
        "reactionHash": null,
        "template": null,
        "metadata": "{\"ID\":\"US20080188531A1;0437;597530\",\"rsmi\":\"O=[C:4]([c:3]1[c:2]([CH3:1])[n:15][c:13]([NH2:14])[s:12]1)[CH2:5]Br.[S:6]=[C:7]([CH2:8][C:9]#[N:10])[NH2:11]>Br.CCO>[CH3:1][c:2]1[c:3](-[c:4]2[cH:5][s:6][c:7]([CH2:8][C:9]#[N:10])[n:11]2)[s:12][c:13]([NH2:14])[n:15]1\"}",
        "molecule": {
          "id": "wm7r71rjgf6ud9u5t5jxj650",
          "inchikey": "DDXFMQILSOWYCV-UHFFFAOYSA-N",
          "smiles": "Cc1nc(N)sc1-c1csc(CC#N)n1"
        },
        "children": [
          {
            "id": "cmisbzzq400a419ddpfm3dfoi",
            "routeId": "cmisbzzq300a019ddkkhed2o2",
            "moleculeId": "szj84f0rm8tg1vs5yl1bq7vo",
            "parentId": "cmisbzzq400a219ddeq77c5q2",
            "isLeaf": true,
            "reactionHash": null,
            "template": null,
            "metadata": null,
            "molecule": {
              "id": "szj84f0rm8tg1vs5yl1bq7vo",
              "inchikey": "PGFMEUCSGCDKLF-UHFFFAOYSA-N",
              "smiles": "Cc1nc(N)sc1C(=O)CBr"
            },
            "children": []
          },
          {
            "id": "cmisbzzq400a519dddyody1bf",
            "routeId": "cmisbzzq300a019ddkkhed2o2",
            "moleculeId": "jd89lsjsckm56vn4ofin189p",
            "parentId": "cmisbzzq400a219ddeq77c5q2",
            "isLeaf": true,
            "reactionHash": null,
            "template": null,
            "metadata": null,
            "molecule": {
              "id": "jd89lsjsckm56vn4ofin189p",
              "inchikey": "BHPYMZQTCPRLNR-UHFFFAOYSA-N",
              "smiles": "N#CCC(=N)S"
            },
            "children": []
          }
        ]
      },
      {
        "id": "cmisbzzq400a319ddl8xz7vml",
        "routeId": "cmisbzzq300a019ddkkhed2o2",
        "moleculeId": "yvng3agfpklq6vokgqad9bx1",
        "parentId": "cmisbzzq400a119ddha1zqfll",
        "isLeaf": true,
        "reactionHash": null,
        "template": null,
        "metadata": null,
        "molecule": {
          "id": "yvng3agfpklq6vokgqad9bx1",
          "inchikey": "PFKFTWBEEFSNDU-UHFFFAOYSA-N",
          "smiles": "O=C(n1ccnc1)n1ccnc1"
        },
        "children": []
      }
    ]
  }
}