0 B22R3.98287844 c1cc(ccc1C2CC(=O)c3c(cc(cc3O2)O)O)O CHEBI:50202 [0,0,0,0,0,0|0,0,2]=2 1 B22R3.98287844 c1cc(ccc1[C@@H]2CC(=O)c3c(cc(cc3O2)O)O)O CHEBI:17846 [0,0,0,0,0,0|0,0,2]=2 2 B22R3.98287844 c1cc(ccc1[C@@H]2CC(=O)c3c(cc(cc3O2)[O-])O)O CHEBI:58292 [0,0,0,0,0,0|0,0,3]=3 3 B22R3.98287844 c1cc(ccc1[C@@H]2CC(c3c(cc(cc3O2)O)O)O)O CHEBI:74812 [0,0,0,0,0,0|0,0,4]=4 4 B22R3.98287844 c1cc(ccc1[C@H]2CC(=O)c3c(cc(cc3O2)O)O)O CHEBI:50201 [0,0,0,0,0,0|0,0,2]=2 5 B22R3.98287844 c1cc(ccc1c2cc(=O)c3c(cc(cc3o2)O)O)O CHEBI:18388 [0,0,0,0,0,0|0,0,0]=0 6 B22R3.98287844 c1cc(ccc1c2cc(=O)c3c(cc(cc3o2)[O-])O)O CHEBI:58470 [0,0,0,0,0,0|0,0,1]=1 7 B21R3.649532 c1cc(ccc1[C@@H]2CC(=O)c3ccc(cc3O2)O)O CHEBI:28777 [1,0,0,0,0,0|0,0,2]=3 8 B21R3.649532 c1cc(ccc1c2cc(=O)c3ccc(cc3o2)O)O CHEBI:29503 [1,0,0,0,0,0|0,0,0]=1 9 B21R3.41307345 c1ccc(cc1)[C@@H]2CC(=O)c3c(cc(cc3O2)O)O CHEBI:28157 [1,0,0,0,0,0|0,0,2]=3 10 B21R3.41307345 c1ccc(cc1)c2cc(=O)c3c(cc(cc3o2)O)O CHEBI:75095 [1,0,0,0,0,0|0,0,0]=1 11 B21R3.50471385 c1cc2c(c(c1)O)C(=O)OC(C2)c3ccc(cc3)O CHEBI:5776 [1,0,0,0,0,0|2,0,1]=4 12 B23R3.9068341 COc1ccc(cc1)[C@@H]2CC(=O)c3c(cc(cc3O2)O)O CHEBI:27552 [0,1,0,0,0,0|0,0,2]=3 13 B23R3.9068341 COc1ccc(cc1)c2cc(=O)c3c(cc(cc3o2)O)O CHEBI:15335 [0,1,0,0,0,0|0,0,0]=1 14 B23R3.9068341 COc1ccc(cc1)c2cc(=O)c3c(cc(cc3o2)[O-])O CHEBI:57284 [0,1,0,0,0,0|0,0,1]=2 15 B23R3.71745916 c1cc(ccc1[C@@H]2[C@H](C(=O)c3c(cc(cc3O2)O)O)O)O CHEBI:15401 [0,1,0,0,0,0|0,0,2]=3 16 B23R3.71745916 c1cc(ccc1[C@@H]2[C@H](C(=O)c3c(cc(cc3O2)[O-])O)O)O CHEBI:57294 [0,1,0,0,0,0|0,0,3]=4 17 B23R3.71745916 c1cc(ccc1c2c(c(=O)c3c(cc(cc3o2)O)O)O)O CHEBI:28499 [0,1,0,0,0,0|0,0,0]=1 18 B23R3.71745916 c1cc(ccc1c2c(c(=O)c3c(cc(cc3o2)O)O)[O-])O CHEBI:58573 [0,1,0,0,0,0|0,0,0]=1 19 B23R3.71772102 c1cc(ccc1[C@@H]2CC(=O)c3c(cc(c(c3O)O)O)O2)O CHEBI:80809 [0,1,0,0,0,0|0,0,2]=3 20 B23R3.71772102 c1cc(ccc1c2cc(=O)c3c(o2)cc(c(c3O)O)O)O CHEBI:9062 [0,1,0,0,0,0|0,0,0]=1 21 B23R3.71772102 c1cc(ccc1c2cc(=O)c3c(o2)cc(c(c3O)O)[O-])O CHEBI:78328 [0,1,0,0,0,0|0,0,1]=2 22 B23R3.184487127 c1cc(ccc1c2cc(=O)c3c(cc(c(c3o2)O)O)O)O CHEBI:6059 [0,1,0,0,0,0|0,0,0]=1 23 B23R3.184688319 c1cc(c(cc1[C@@H]2CC(=O)c3c(cc(cc3O2)O)O)O)O CHEBI:28412 [0,1,0,0,0,0|0,0,2]=3 24 B23R3.184688319 c1cc(c(cc1c2cc(=O)c3c(cc(cc3o2)O)O)O)O CHEBI:15864 [0,1,0,0,0,0|0,0,0]=1 25 B23R3.184688319 c1cc(c(cc1c2cc(=O)c3c(cc(cc3o2)[O-])O)O)O CHEBI:57545 [0,1,0,0,0,0|0,0,1]=2 26 B23R3.199765921 COc1cc(c2c(=O)cc(oc2c1)c3ccc(cc3)O)O CHEBI:75718 [0,1,0,0,0,0|0,0,0]=1 27 B23R3.199765921 COc1cc(c2c(c1)O[C@@H](CC2=O)c3ccc(cc3)O)O CHEBI:28927 [0,1,0,0,0,0|0,0,2]=3 28 B21R2.97296 c1cc(ccc1C(=O)CC(=O)c2ccc(cc2O)O)O CHEBI:18131 [0,0,1,0,0,0|0,0,2]=3 29 B21R2.97296 c1cc(ccc1C(=O)CC(=O)c2ccc(cc2O)O)[O-] CHEBI:77711 [0,0,1,0,0,0|0,0,3]=4 30 B21R2.362231 c1cc(ccc1CCC(=O)c2c(cc(cc2O)O)O)O CHEBI:17276 [0,0,1,0,0,0|0,0,2]=3 31 B21R2.362231 c1cc(ccc1\C=C\C(=O)c2c(cc(cc2O)O)O)O CHEBI:15413 [0,0,1,0,0,0|0,0,0]=1 32 B21R2.362231 c1cc(ccc1\C=C\C(=O)c2c(cc(cc2[O-])O)O)O CHEBI:77645 [0,0,1,0,0,0|0,0,1]=2 33 B20R2.15570 c1cc(ccc1CCC(=O)c2ccc(cc2O)O)O CHEBI:27655 [1,0,1,0,0,0|0,0,2]=4 34 B20R2.15570 c1cc(ccc1\C=C\C(=O)c2ccc(cc2O)O)O CHEBI:310312 [1,0,1,0,0,0|0,0,0]=2 35 B20R2.15570 c1cc(ccc1\C=C\C(=O)c2ccc(cc2[O-])O)O CHEBI:77948 [1,0,1,0,0,0|0,0,1]=3 36 B20R2.23087 c1ccc(cc1)\C=C\C(=O)c2c(cc(cc2O)O)O CHEBI:80484 [1,0,1,0,0,0|0,0,0]=2 37 B20R3.19283 c1ccc2c(c1)C(=O)CC(O2)c3ccc(cc3)O CHEBI:34361 [2,0,0,0,0,0|0,0,2]=4 38 B20R3.19283 c1ccc2c(c1)C(=O)C[C@H](O2)c3ccc(cc3)O CHEBI:41965 [2,0,0,0,0,0|0,0,2]=4 39 B20R3.277426 c1ccc(cc1)C2CC(=O)c3ccc(cc3O2)O CHEBI:34483 [2,0,0,0,0,0|0,0,2]=4 40 B20R3.277426 c1ccc(cc1)[C@@H]2CC(=O)c3ccc(cc3O2)O CHEBI:41888 [2,0,0,0,0,0|0,0,2]=4 41 B20R3.277426 c1ccc(cc1)[C@H]2CC(=O)c3ccc(cc3O2)O CHEBI:48020 [2,0,0,0,0,0|0,0,2]=4 42 B22R2.55326 COc1cc(ccc1C(=O)CC(=O)c2ccc(cc2)O)O CHEBI:15789 [0,1,1,0,0,0|0,0,2]=4 43 B22R2.3901870 c1cc(ccc1C(=O)CC(=O)c2c(cc(cc2O)O)O)O CHEBI:75418 [0,1,1,0,0,0|0,0,2]=4 44 B22R2.424900 COc1cc(c(c(c1)O)C(=O)CCc2ccc(cc2)O)O CHEBI:2871 [0,1,1,0,0,0|0,0,2]=4 45 B22R2.8237677 c1cc(c(cc1\C=C\C(=O)c2c(cc(cc2O)O)O)O)O CHEBI:10836 [0,1,1,0,0,0|0,0,0]=2 46 B22R2.8237677 c1cc(c(cc1\C=C\C(=O)c2c(cc(cc2O)O)O)O)O CHEBI:48967 [0,1,1,0,0,0|0,0,0]=2 47 B22R2.8237677 c1cc(c(cc1\C=C\C(=O)c2c(cc(cc2[O-])O)O)O)O CHEBI:77621 [0,1,1,0,0,0|0,0,1]=3 48 B22R3.5321610 c1cc(ccc1[C@@H]2[C@H](C(=O)c3ccc(cc3O2)O)O)O CHEBI:27587 [1,1,0,0,0,0|0,0,2]=4 49 B22R3.11067224 c1cc(c(cc1[C@@H]2CC(=O)c3ccc(cc3O2)O)O)O CHEBI:27725 [1,1,0,0,0,0|0,0,2]=4 50 B22R3.15233977 c1cc(ccc1C2CC(=O)c3cc(c(cc3O2)O)O)O CHEBI:78026 [1,1,0,0,0,0|0,0,2]=4 51 B22R3.15280887 c1cc(c(cc1c2ccc3c(cc(cc3[o+]2)O)O)O)O CHEBI:37648 [1,1,0,0,0,0|0,0,1]=3 52 B22R3.15280887 c1cc(c(cc1c2ccc3c(cc(cc3[o+]2)O)O)O)O CHEBI:6584 [1,1,0,0,0,0|0,0,1]=3 53 B22R3.41030782 c1cc(ccc1c2c(cc3c(cc(cc3[o+]2)O)O)O)O CHEBI:25863 [1,1,0,0,0,0|0,0,1]=3 54 B22R3.41030782 c1cc(ccc1c2c(cc3c(cc(cc3[o+]2)O)O)O)O CHEBI:28510 [1,1,0,0,0,0|0,0,1]=3 55 B22R3.2846088 Cc1c(cc2c(c1O)C(=O)C[C@H](O2)c3ccccc3)O CHEBI:9292 [1,1,0,0,0,0|0,0,2]=4 56 B22R3.2846088 c1ccc(cc1)c2cc(=O)c3c(o2)cc(c(c3O)O)O CHEBI:2979 [1,1,0,0,0,0|0,0,0]=2 57 B22R3.2846088 c1ccc(cc1)c2cc(=O)c3c(o2)cc(c(c3O)O)[O-] CHEBI:78324 [1,1,0,0,0,0|0,0,1]=3 58 B22R3.53618968 c1ccc(cc1)[C@@H]2[C@H](C(=O)c3c(cc(cc3O2)O)O)O CHEBI:28103 [1,1,0,0,0,0|0,0,2]=4 59 B22R3.53618968 c1ccc(cc1)c2c(c(=O)c3c(cc(cc3o2)O)O)O CHEBI:5262 [1,1,0,0,0,0|0,0,0]=2 60 B22R3.78129056 Cc1c(cc(c2c1O[C@@H](CC2=O)c3ccccc3)O)O CHEBI:70663 [1,1,0,0,0,0|0,0,2]=4 61 B22R3.78129056 c1ccc(cc1)c2cc(=O)c3c(cc(c(c3o2)O)O)O CHEBI:7642 [1,1,0,0,0,0|0,0,0]=2 62 B22R3.121441578 COc1cc(c2c(=O)cc(oc2c1)c3ccccc3)O CHEBI:9426 [1,1,0,0,0,0|0,0,0]=2 63 B22R3.121441578 COc1cc(c2c(c1)O[C@@H](CC2=O)c3ccccc3)O CHEBI:80491 [1,1,0,0,0,0|0,0,2]=4 64 B24R3.13139879 COc1ccc(cc1)c2c(c(=O)c3c(cc(cc3o2)O)O)O CHEBI:6099 [0,2,0,0,0,0|0,0,0]=2 65 B24R3.13139879 COc1ccc(cc1)c2c(c(=O)c3c(cc(cc3o2)O)O)[O-] CHEBI:58925 [0,2,0,0,0,0|0,0,0]=2 66 B24R3.13272581 COc1ccc(cc1)c2cc(=O)c3c(cc(cc3o2)OC)O CHEBI:2769 [0,2,0,0,0,0|0,0,0]=2 67 B24R3.1245441990 COc1ccc(cc1O)[C@@H]2CC(=O)c3c(cc(cc3O2)O)O CHEBI:28230 [0,2,0,0,0,0|0,0,2]=4 68 B24R3.1245441990 COc1ccc(cc1O)c2cc(=O)c3c(cc(cc3o2)O)O CHEBI:4630 [0,2,0,0,0,0|0,0,0]=2 69 B24R3.2307788 COc1c(=O)c2c(cc(cc2oc1c3ccc(cc3)O)O)O CHEBI:1579 [0,2,0,0,0,0|0,0,0]=2 70 B24R3.311572219 Cc1c(=O)c2c(cc(cc2oc1c3ccc(c(c3)O)O)O)O CHEBI:74776 [0,2,0,0,0,0|0,0,0]=2 71 B24R3.311572219 c1cc(c(cc1C2C(C(=O)c3c(cc(cc3O2)O)O)O)O)O CHEBI:38747 [0,2,0,0,0,0|0,0,2]=4 72 B24R3.311572219 c1cc(c(cc1[C@@H]2[C@@H](C(=O)c3c(cc(cc3O2)O)O)O)O)O CHEBI:75747 [0,2,0,0,0,0|0,0,2]=4 73 B24R3.311572219 c1cc(c(cc1[C@@H]2[C@H](C(=O)c3c(cc(cc3O2)O)O)O)O)O CHEBI:17948 [0,2,0,0,0,0|0,0,2]=4 74 B24R3.311572219 c1cc(c(cc1[C@H]2[C@@H](C(=O)c3c(cc(cc3O2)O)O)O)O)O CHEBI:41963 [0,2,0,0,0,0|0,0,2]=4 75 B24R3.311572219 c1cc(c(cc1[C@H]2[C@H](C(=O)c3c(cc(cc3O2)O)O)O)O)O CHEBI:32330 [0,2,0,0,0,0|0,0,2]=4 76 B24R3.311572219 c1cc(c(cc1c2c(c(=O)c3c(cc(cc3o2)O)O)O)O)O CHEBI:16243 [0,2,0,0,0,0|0,0,0]=2 77 B24R3.311572219 c1cc(c(cc1c2c(c(=O)c3c(cc(cc3o2)[O-])O)O)O)O CHEBI:57694 [0,2,0,0,0,0|0,0,1]=3 78 B24R3.337787570 COc1cc(c2c(c1)oc(c(c2=O)O)c3ccc(cc3)O)O CHEBI:80897 [0,2,0,0,0,0|0,0,0]=2 79 B24R3.558339597 c1cc(c(cc1O)O)c2c(c(=O)c3c(cc(cc3o2)O)O)O CHEBI:75092 [0,2,0,0,0,0|0,0,0]=2 80 B24R3.8721024 COc1c(cc2c(c1O)c(=O)cc(o2)c3ccc(cc3)O)O CHEBI:75902 [0,2,0,0,0,0|0,0,0]=2 81 B24R3.10522450 Cc1c(cc2c(c1O)c(=O)cc(o2)c3ccc(cc3)O)OC CHEBI:69917 [0,2,0,0,0,0|0,0,0]=2 82 B24R3.311191956 c1cc(ccc1c2cc(=O)c3c(c(c(c(c3o2)O)O)O)O)O CHEBI:79553 [0,2,0,0,0,0|0,0,0]=2 83 B24R3.311602189 c1cc(c(cc1c2cc(=O)c3c(o2)cc(c(c3O)O)O)O)O CHEBI:2197 [0,2,0,0,0,0|0,0,0]=2 84 B24R3.311602198 c1cc(c(cc1c2cc(=O)c3c(cc(c(c3o2)O)O)O)O)O CHEBI:5837 [0,2,0,0,0,0|0,0,0]=2 85 B24R3.391457726 Cc1c(cc(c2c1oc(cc2=O)c3ccc(cc3)O)O)OC CHEBI:69918 [0,2,0,0,0,0|0,0,0]=2 86 B24R3.557722971 c1c(cc(c(c1O)O)O)C2CC(=O)c3c(cc(cc3O2)O)O CHEBI:25882 [0,2,0,0,0,0|0,0,2]=4 87 B24R3.557722971 c1c(cc(c(c1O)O)O)[C@@H]2CC(=O)c3c(cc(cc3O2)O)O CHEBI:48026 [0,2,0,0,0,0|0,0,2]=4 88 B24R3.557722971 c1c(cc(c(c1O)O)O)c2cc(=O)c3c(cc(cc3o2)O)O CHEBI:507499 [0,2,0,0,0,0|0,0,0]=2 89 B24R3.557722971 c1c(cc(c(c1O)O)O)c2cc(=O)c3c(cc(cc3o2)[O-])O CHEBI:60045 [0,2,0,0,0,0|0,0,1]=3 90 B24R3.1289013967 COc1cc(ccc1O)[C@@H]2CC(=O)c3c(cc(cc3O2)O)O CHEBI:74960 [0,2,0,0,0,0|0,0,2]=4 91 B24R3.1289013967 COc1cc(ccc1O)c2cc(=O)c3c(cc(cc3o2)O)O CHEBI:16514 [0,2,0,0,0,0|0,0,0]=2 92 B24R3.1289013967 COc1cc(ccc1O)c2cc(=O)c3c(cc(cc3o2)[O-])O CHEBI:57799 [0,2,0,0,0,0|0,0,1]=3 93 B24R3.3360687369 c1c(cc2c(c1O)c(=O)cc(o2)c3cc(c(cc3O)O)O)O CHEBI:6006 [0,2,0,0,0,0|0,0,0]=2 94 B22R3.5327493 c1cc(ccc1C2COc3cc(cc(c3C2=O)O)O)O CHEBI:34707 [0,0,0,0,1,1|0,0,1]=3 95 B22R3.5327493 c1cc(ccc1c2coc3cc(cc(c3c2=O)O)O)O CHEBI:28088 [0,0,0,0,1,1|0,0,0]=2 96 B22R3.5327493 c1cc(ccc1c2coc3cc(cc(c3c2=O)O)[O-])O CHEBI:74224 [0,0,0,0,1,1|0,0,1]=3