0 B12R1.286 COc1cc(ccc1O)CC=C CHEBI:4917 [0,0,0,0,0,0|1,0,1]=2 1 B12R1.286 COc1cc(ccc1O)CC=O CHEBI:28111 [0,0,0,0,0,0|1,0,1]=2 2 B12R1.286 C\C=C/c1ccc(c(c1)OC)O CHEBI:50543 [0,0,0,0,0,0|1,0,2]=3 3 B12R1.286 C\C=C\c1ccc(c(c1)OC)O CHEBI:18224 [0,0,0,0,0,0|1,0,2]=3 4 B12R1.286 C\C=C\c1ccc(c(c1)OC)O CHEBI:50545 [0,0,0,0,0,0|1,0,2]=3 5 B11R1.192 C1=CC(=O)C(=O)C=C1CCN CHEBI:74684 [1,0,0,0,0,0|0,0,2]=3 6 B11R1.192 c1cc(c(cc1CC=O)O)O CHEBI:27978 [1,0,0,0,0,0|1,0,1]=3 7 B11R1.192 c1cc(c(cc1CCN)O)O CHEBI:18243 [1,0,0,0,0,0|0,0,0]=1 8 B11R1.192 c1cc(c(cc1CCO)O)O CHEBI:68889 [1,0,0,0,0,0|1,0,0]=2 9 B11R1.192 c1cc(c(cc1CC[NH3+])O)O CHEBI:59905 [1,0,0,0,0,0|0,0,1]=2 10 B11R1.280 COc1cc(ccc1O)C=C CHEBI:42438 [1,0,0,0,0,0|0,0,2]=3 11 B11R1.280 COc1cc(ccc1O)C=O CHEBI:18346 [1,0,0,0,0,0|1,0,1]=3 12 B11R1.280 COc1cc(ccc1O)CN CHEBI:46958 [1,0,0,0,0,0|0,0,0]=1 13 B11R1.280 COc1cc(ccc1O)CO CHEBI:18353 [1,0,0,0,0,0|1,0,0]=2 14 B13R1.49 COc1cc(ccc1O)C(=O)OC CHEBI:46477 [0,1,0,0,0,0|2,0,1]=4 15 B13R1.52 COc1cc(ccc1O)CC(=O)O CHEBI:545959 [0,1,0,0,0,0|1,0,1]=3 16 B13R1.52 COc1cc(ccc1O)CC(=O)[O-] CHEBI:133744 [0,1,0,0,0,0|1,0,1]=3 17 B13R1.386 COCc1ccc(c(c1)OC)OC CHEBI:86961 [0,1,0,0,0,0|2,0,0]=3 18 B13R1.386 COc1ccc(cc1OC)CC=C CHEBI:4918 [0,1,0,0,0,0|1,0,1]=3 19 B13R1.386 COc1ccc(cc1OC)CCN CHEBI:136995 [0,1,0,0,0,0|0,0,0]=1 20 B13R1.386 C\C=C/c1ccc(c(c1)OC)OC CHEBI:50550 [0,1,0,0,0,0|1,0,2]=4 21 B13R1.386 C\C=C\c1ccc(c(c1)OC)OC CHEBI:14469 [0,1,0,0,0,0|1,0,2]=4 22 B13R1.386 C\C=C\c1ccc(c(c1)OC)OC CHEBI:6877 [0,1,0,0,0,0|1,0,2]=4 23 B13R1.387 c1cc(c(cc1CCN)[N+](=O)[O-])O CHEBI:71233 [0,1,0,0,0,0|2,0,0]=3 24 B13R1.575 COc1cc(ccc1O)CCCO CHEBI:4559 [0,1,0,0,0,0|1,0,0]=2 25 B13R1.575 COc1cc(ccc1O)\C=C\C=O CHEBI:16547 [0,1,0,0,0,0|1,0,2]=4 26 B13R1.575 COc1cc(ccc1O)\C=C\CO CHEBI:17745 [0,1,0,0,0,0|1,0,1]=3 27 B13R1.1255 C\C=C\c1ccc(c(c1C)OC)O CHEBI:59083 [0,1,0,0,0,0|1,0,2]=4 28 B13R1.1255 Cc1c(ccc(c1OC)O)CC=C CHEBI:59074 [0,1,0,0,0,0|1,0,1]=3 29 B13R1.2900 C\C=C\c1cc(c(cc1C)O)OC CHEBI:59078 [0,1,0,0,0,0|1,0,2]=4 30 B13R1.2900 Cc1cc(c(cc1CC=C)OC)O CHEBI:59072 [0,1,0,0,0,0|1,0,1]=3 31 B13R1.4030 C\C=C\c1cc(c(c(c1)OC)O)C CHEBI:59077 [0,1,0,0,0,0|1,0,2]=4 32 B13R1.4030 Cc1cc(cc(c1O)OC)CC=C CHEBI:59060 [0,1,0,0,0,0|1,0,1]=3 33 B13R2.449 C=CCc1ccc2c(c1)OCO2 CHEBI:8994 [0,0,0,1,0,0|1,0,1]=3 34 B13R2.599 COc1cc2c(cc1O)CCC2 CHEBI:86574 [0,0,0,1,0,0|1,0,0]=2 35 B10R1.1 C=CCc1ccc(cc1)O CHEBI:50158 [2,0,0,0,0,0|1,0,1]=4 36 B10R1.1 COCc1ccc(cc1)O CHEBI:133885 [2,0,0,0,0,0|2,0,0]=4 37 B10R1.1 c1cc(ccc1CC#N)O CHEBI:16667 [2,0,0,0,0,0|0,0,2]=4 38 B10R1.1 c1cc(ccc1CC=O)O CHEBI:15621 [2,0,0,0,0,0|1,0,1]=4 39 B10R1.1 c1cc(ccc1CCN)O CHEBI:15760 [2,0,0,0,0,0|0,0,0]=2 40 B10R1.1 c1cc(ccc1CCO)O CHEBI:1879 [2,0,0,0,0,0|1,0,0]=3 41 B10R1.1 c1cc(ccc1CC[NH3+])O CHEBI:327995 [2,0,0,0,0,0|0,0,1]=3 42 B10R1.176 c1cc(c(cc1C=O)O)O CHEBI:50205 [2,0,0,0,0,0|1,0,1]=4 43 B10R1.30 c1cc(c(cc1N)C=O)O CHEBI:20550 [2,0,0,0,0,0|2,0,0]=4 44 B12R1.19 c1cc(c(cc1CC(=O)O)O)O CHEBI:41941 [1,1,0,0,0,0|1,0,1]=4 45 B12R1.19 c1cc(c(cc1CC(=O)[O-])O)O CHEBI:17612 [1,1,0,0,0,0|1,0,1]=4 46 B12R1.367 c1cc(c(cc1C(=O)CCl)O)O CHEBI:51844 [1,1,0,0,0,0|1,0,1]=4 47 B12R1.367 c1cc(c(cc1C(C=O)O)O)O CHEBI:27852 [1,1,0,0,0,0|1,0,1]=4 48 B12R1.367 c1cc(c(cc1C(CN)O)O)O CHEBI:33569 [1,1,0,0,0,0|0,0,0]=2 49 B12R1.367 c1cc(c(cc1C(CO)O)O)O CHEBI:1387 [1,1,0,0,0,0|1,0,0]=3 50 B12R1.367 c1cc(c(cc1[C@@H](CN)O)O)O CHEBI:33571 [1,1,0,0,0,0|0,0,0]=2 51 B12R1.367 c1cc(c(cc1[C@H](CN)O)O)O CHEBI:18357 [1,1,0,0,0,0|0,0,0]=2 52 B12R1.367 c1cc(c(cc1[C@H](C[NH3+])O)O)O CHEBI:72587 [1,1,0,0,0,0|0,0,1]=3 53 B12R1.385 c1cc(c(cc1\C=C\CO)O)O CHEBI:31334 [1,1,0,0,0,0|1,0,1]=4 54 B12R1.385 c1cc(c(cc1\C=C\CO)O)O CHEBI:86071 [1,1,0,0,0,0|1,0,1]=4 55 B12R1.1123 c1c(c(cc(c1O)O)O)CCN CHEBI:78741 [1,1,0,0,0,0|0,0,0]=2 56 B12R1.56 CC(=O)c1ccc(c(c1)OC)O CHEBI:2781 [1,1,0,0,0,0|0,0,1]=3 57 B12R1.56 CC(c1ccc(c(c1)OC)O)O CHEBI:86590 [1,1,0,0,0,0|0,0,0]=2 58 B12R1.56 COc1cc(ccc1O)C(=O)O CHEBI:30816 [1,1,0,0,0,0|1,0,1]=4 59 B12R1.56 COc1cc(ccc1O)C(=O)[O-] CHEBI:132748 [1,1,0,0,0,0|1,0,1]=4 60 B12R1.56 COc1cc(ccc1O)C(=O)[O-] CHEBI:16632 [1,1,0,0,0,0|1,0,1]=4 61 B12R1.78 COc1ccc(cc1OC)C=O CHEBI:17098 [1,1,0,0,0,0|1,0,1]=4 62 B12R1.78 COc1ccc(cc1OC)CO CHEBI:62150 [1,1,0,0,0,0|1,0,0]=3 63 B12R1.78 COc1ccc(cc1OC)C[O] CHEBI:88143 [1,1,0,0,0,0|1,0,0]=3 64 B14R1.41 COc1cc(ccc1O)C(C(=O)O)O CHEBI:20106 [0,2,0,0,0,0|1,0,1]=4 65 B14R1.41 COc1cc(ccc1O)C(C(=O)[O-])O CHEBI:27622 [0,2,0,0,0,0|1,0,1]=4 66 B14R1.1864 COc1ccc(cc1OC)C(CO)O CHEBI:17007 [0,2,0,0,0,0|1,0,0]=3 67 B14R1.489 CC(C)Oc1cc(ccc1O)CC=C CHEBI:59075 [0,2,0,0,0,0|1,0,1]=4 68 B14R1.793 COc1ccc(cc1OC)\C=C\CO CHEBI:86551 [0,2,0,0,0,0|1,0,1]=4 69 B14R1.42 CC(=O)CCc1ccc(c(c1)OC)O CHEBI:68657 [0,2,0,0,0,0|1,0,0]=3 70 B14R1.42 COc1cc(ccc1O)CCC(=O)O CHEBI:86612 [0,2,0,0,0,0|1,0,0]=3 71 B14R1.42 COc1cc(ccc1O)CCC(=O)[O-] CHEBI:133751 [0,2,0,0,0,0|1,0,0]=3 72 B14R1.7499 COc1cc(cc(c1O)O)\C=C\CO CHEBI:31135 [0,2,0,0,0,0|1,0,1]=4 73 B14R1.7499 COc1cc(cc(c1O)O)\C=C\CO CHEBI:86068 [0,2,0,0,0,0|1,0,1]=4 74 B14R1.15069 COc1cc(c(cc1Br)OC)CCN CHEBI:189669 [0,2,0,0,0,0|1,0,0]=3 75 B14R1.3236 COc1cc(cc(c1O)OC)CC=C CHEBI:86562 [0,2,0,0,0,0|1,0,1]=4 76 B12R2.100 c1c2c(cc(c1O)O)NCC2 CHEBI:74683 [1,0,0,1,0,0|0,0,0]=2 77 B12R2.100 c1c[nH]c2c1cc(c(c2)O)O CHEBI:27404 [1,0,0,1,0,0|0,0,2]=4