{
  "route": {
    "id": "sa_dc8e0f49d5c59288f15365e6",
    "signature": "d4aeb60b37ea5d486f63bfdbdb26c45bda96351ed6729cbe4b0106a939c8f264",
    "contentHash": "cf21ed91215ae1cc6e66ce4a05ab2d0462b61f310602de9b998747f03f91fd4a",
    "length": 2,
    "isConvergent": false
  },
  "target": {
    "id": "sa_e5ca155f25990e02486171fe",
    "benchmarkSetId": "f925e688d731a0ad4e3aa6a505df094f6d3ca64ce3facc312bc5f64731921b33",
    "targetId": "n5-09422",
    "moleculeId": "sa_a23b6fe97c40809bbfcf123c",
    "smiles": "CCc1ccc(-c2csc(N3C(=O)c4ccccc4C3=O)c2C(=O)O)cc1",
    "routeLength": 2,
    "isConvergent": false,
    "metadata": null,
    "molecule": {
      "id": "sa_a23b6fe97c40809bbfcf123c",
      "inchikey": "BLSHBNFYBJIHAD-UHFFFAOYSA-N",
      "smiles": "CCc1ccc(-c2csc(N3C(=O)c4ccccc4C3=O)c2C(=O)O)cc1"
    },
    "hasAcceptableRoutes": true,
    "acceptableRoutesCount": 1
  },
  "rootNode": {
    "id": "8926",
    "routeId": "sa_dc8e0f49d5c59288f15365e6",
    "moleculeId": "sa_a23b6fe97c40809bbfcf123c",
    "parentId": null,
    "isLeaf": false,
    "molecule": {
      "id": "sa_a23b6fe97c40809bbfcf123c",
      "inchikey": "BLSHBNFYBJIHAD-UHFFFAOYSA-N",
      "smiles": "CCc1ccc(-c2csc(N3C(=O)c4ccccc4C3=O)c2C(=O)O)cc1"
    },
    "smiles": "CCc1ccc(-c2csc(N3C(=O)c4ccccc4C3=O)c2C(=O)O)cc1",
    "reactionStepId": "sa_109c83fcf0088de0e942ee27",
    "template": null,
    "metadata": "{\"annotations\":{\"ID\":\"US07449490B2;0250;865939\",\"rsmi\":\"CC[O:25][C:23]([c:22]1[c:7](-[c:6]2[cH:5][cH:4][c:3]([CH2:2][CH3:1])[cH:27][cH:26]2)[cH:8][s:9][c:10]1[N:11]1[C:12](=[O:13])[c:14]2[cH:15][cH:16][cH:17][cH:18][c:19]2[C:20]1=[O:21])=[O:24]>CO.Cl.O.[Na+].O>[CH3:1][CH2:2][c:3]1[cH:4][cH:5][c:6](-[c:7]2[cH:8][s:9][c:10]([N:11]3[C:12](=[O:13])[c:14]4[cH:15][cH:16][cH:17][cH:18][c:19]4[C:20]3=[O:21])[c:22]2[C:23](=[O:24])[OH:25])[cH:26][cH:27]1\"},\"mapped_reaction_smiles\":\"CC[O:25][C:23]([c:22]1[c:7](-[c:6]2[cH:5][cH:4][c:3]([CH2:2][CH3:1])[cH:27][cH:26]2)[cH:8][s:9][c:10]1[N:11]1[C:12](=[O:13])[c:14]2[cH:15][cH:16][cH:17][cH:18][c:19]2[C:20]1=[O:21])=[O:24]>CO.Cl.O.[Na+].O>[CH3:1][CH2:2][c:3]1[cH:4][cH:5][c:6](-[c:7]2[cH:8][s:9][c:10]([N:11]3[C:12](=[O:13])[c:14]4[cH:15][cH:16][cH:17][cH:18][c:19]4[C:20]3=[O:21])[c:22]2[C:23](=[O:24])[OH:25])[cH:26][cH:27]1\"}",
    "reactionStep": {
      "id": "sa_109c83fcf0088de0e942ee27",
      "reactionHash": "bb23d1e4657b85f059d7433cd176c6fb424abfc096e44793a34db79c17031ad5"
    },
    "children": [
      {
        "id": "8927",
        "routeId": "sa_dc8e0f49d5c59288f15365e6",
        "moleculeId": "sa_60e913dfd5d1fdeef38f48fc",
        "parentId": "8926",
        "isLeaf": false,
        "molecule": {
          "id": "sa_60e913dfd5d1fdeef38f48fc",
          "inchikey": "QVPNORLQETYKEL-UHFFFAOYSA-N",
          "smiles": "CCOC(=O)c1c(-c2ccc(CC)cc2)csc1N1C(=O)c2ccccc2C1=O"
        },
        "smiles": "CCOC(=O)c1c(-c2ccc(CC)cc2)csc1N1C(=O)c2ccccc2C1=O",
        "reactionStepId": "sa_331bb1a7e68363aa7b8a430d",
        "template": null,
        "metadata": "{\"annotations\":{\"ID\":\"US07449490B2;0249;865938\",\"rsmi\":\"O1[C:9](=[O:10])[c:11]2[cH:12][cH:13][cH:14][cH:15][c:16]2[C:17]1=[O:18].[CH3:1][CH2:2][O:3][C:4](=[O:5])[c:6]1[c:7]([NH2:8])[s:19][cH:20][c:21]1-[c:22]1[cH:23][cH:24][c:25]([CH2:26][CH3:27])[cH:28][cH:29]1>CC(=O)O>[CH3:1][CH2:2][O:3][C:4](=[O:5])[c:6]1[c:7]([N:8]2[C:9](=[O:10])[c:11]3[cH:12][cH:13][cH:14][cH:15][c:16]3[C:17]2=[O:18])[s:19][cH:20][c:21]1-[c:22]1[cH:23][cH:24][c:25]([CH2:26][CH3:27])[cH:28][cH:29]1\"},\"mapped_reaction_smiles\":\"O1[C:9](=[O:10])[c:11]2[cH:12][cH:13][cH:14][cH:15][c:16]2[C:17]1=[O:18].[CH3:1][CH2:2][O:3][C:4](=[O:5])[c:6]1[c:7]([NH2:8])[s:19][cH:20][c:21]1-[c:22]1[cH:23][cH:24][c:25]([CH2:26][CH3:27])[cH:28][cH:29]1>CC(=O)O>[CH3:1][CH2:2][O:3][C:4](=[O:5])[c:6]1[c:7]([N:8]2[C:9](=[O:10])[c:11]3[cH:12][cH:13][cH:14][cH:15][c:16]3[C:17]2=[O:18])[s:19][cH:20][c:21]1-[c:22]1[cH:23][cH:24][c:25]([CH2:26][CH3:27])[cH:28][cH:29]1\"}",
        "reactionStep": {
          "id": "sa_331bb1a7e68363aa7b8a430d",
          "reactionHash": "ab1842a4e0557a574c8fb47a9d3ee1767e3fbc26f0b84284c5a23ebc12343565"
        },
        "children": [
          {
            "id": "8928",
            "routeId": "sa_dc8e0f49d5c59288f15365e6",
            "moleculeId": "sa_df231fc07b563e3b0046b16e",
            "parentId": "8927",
            "isLeaf": true,
            "molecule": {
              "id": "sa_df231fc07b563e3b0046b16e",
              "inchikey": "LGRFSURHDFAFJT-UHFFFAOYSA-N",
              "smiles": "O=C1OC(=O)c2ccccc21"
            },
            "smiles": "O=C1OC(=O)c2ccccc21",
            "reactionStepId": null,
            "template": null,
            "metadata": null,
            "reactionStep": null,
            "children": []
          },
          {
            "id": "8929",
            "routeId": "sa_dc8e0f49d5c59288f15365e6",
            "moleculeId": "sa_1749735ea9fe9f36815121b2",
            "parentId": "8927",
            "isLeaf": true,
            "molecule": {
              "id": "sa_1749735ea9fe9f36815121b2",
              "inchikey": "SAGLQZFBTTXHFJ-UHFFFAOYSA-N",
              "smiles": "CCOC(=O)c1c(-c2ccc(CC)cc2)csc1N"
            },
            "smiles": "CCOC(=O)c1c(-c2ccc(CC)cc2)csc1N",
            "reactionStepId": null,
            "template": null,
            "metadata": null,
            "reactionStep": null,
            "children": []
          }
        ]
      }
    ]
  }
}