0 B11R1.280 COc1cc(ccc1O)C=C 4M4 [0,0,0,0,0,0|1,0,0]=1 1 B11R1.280 COc1cc(ccc1O)C=O V55 [0,0,0,0,0,0|0,0,0]=0 2 B11R1.280 COc1cc(ccc1O)OO 4HM [0,0,0,0,0,0|1,0,1]=2 3 B11R1.280 COc1ccc(c(c1)C=O)O 7WQ [0,0,0,0,0,0|4,0,0]=4 4 B10R1.30 COC1=CC(=O)C=CC1=O MCW [1,0,0,0,0,0|0,0,1]=2 5 B10R1.30 COc1cc(ccc1O)Br 3Z7 [1,0,0,0,0,0|1,0,0]=2 6 B10R1.30 c1cc(c(cc1Cl)C#N)O 4ZC [1,0,0,0,0,0|3,0,0]=4 7 B10R1.172 COc1cccc(c1)CN SZ4 [1,0,0,0,0,0|1,0,1]=3 8 B12R1.56 CC(=O)c1ccc(c(c1)OC)O I75 [0,1,0,0,0,0|0,0,0]=1 9 B12R1.56 COc1cc(ccc1O)C(=O)[O-] VNL [0,1,0,0,0,0|0,0,0]=1 10 B12R1.56 c1cc(c(cc1[N+](=O)[O-])C#N)O 6VP [0,1,0,0,0,0|3,0,0]=4 11 B12R1.286 CCc1cc(ccc1O)CCN AEH [0,1,0,0,0,0|2,0,1]=4 12 B12R1.286 COc1cc(ccc1O)CC=C EOL [0,1,0,0,0,0|1,0,0]=2 13 B12R1.286 C\C=C\c1ccc(c(c1)OC)O EUG [0,1,0,0,0,0|1,0,0]=2 14 B12R1.286 C\C=C\c1ccc(c(c1)OC)O H7Y [0,1,0,0,0,0|1,0,0]=2 15 B12R2.44 c1cc2c(cc1C=O)OCO2 5XC [0,0,0,1,0,0|0,0,0]=1 16 B12R2.44 c1cc2c(cc1CN)CCO2 VXQ [0,0,0,1,0,0|2,0,1]=4 17 B12R2.44 c1cc2c(cc1CN)OCO2 MR1 [0,0,0,1,0,0|1,0,1]=3 18 B9R0.47 C(=C\C=O)/C=C(/C(=O)O)\O 2VS [1,0,1,0,0,0|1,0,0]=3 19 B9R0.47 C(=C\C=O)/C=C(\C(=O)O)/N 6OD [1,0,1,0,0,0|2,0,0]=4 20 B9R0.47 C(=C\C=O)/C=C(\C(=O)O)/O 6OH [1,0,1,0,0,0|1,0,0]=3 21 B9R1.2 Cc1cccc(c1)C#N 2HT [2,0,0,0,0,0|1,0,1]=4 22 B9R1.2 Cc1cccc(c1)CN ZF0 [2,0,0,0,0,0|1,0,1]=4 23 B9R1.2 c1cc(cc(c1)O)CO 3HY [2,0,0,0,0,0|0,0,2]=4 24 B9R1.15 CCc1ccccc1O JZ1 [2,0,0,0,0,0|1,0,0]=3 25 B9R1.15 COc1ccccc1O JZ3 [2,0,0,0,0,0|0,0,0]=2 26 B9R1.15 c1ccc(c(c1)C#N)O 0R0 [2,0,0,0,0,0|2,0,0]=4 27 B9R1.15 c1ccc(c(c1)C=O)O NK [2,0,0,0,0,0|2,0,0]=4 28 B9R1.15 c1ccc(c(c1)CO)O SA9 [2,0,0,0,0,0|2,0,0]=4 29 B9R1.69 Cc1cc(ccc1Cl)O 43M [2,0,0,0,0,0|1,0,1]=4 30 B9R1.69 Cc1cc(ccc1O)N 4ZE [2,0,0,0,0,0|1,0,0]=3 31 B9R1.69 Cc1ccc(c(c1)C)C XBZ [2,0,0,0,0,0|1,0,1]=4 32 B9R1.69 Cc1ccc(c(c1)C)N 51S [2,0,0,0,0,0|1,0,1]=4 33 B9R1.69 Cc1ccc(c(c1)N)O 2AC [2,0,0,0,0,0|1,0,1]=4 34 B9R1.69 Cc1ccc(c(c1)O)O MCT [2,0,0,0,0,0|0,0,1]=3 35 B9R1.69 Cc1ccc(c(c1)S)O HT4 [2,0,0,0,0,0|0,1,1]=4 36 B9R1.69 Cc1ccc(cc1C)N 34A [2,0,0,0,0,0|2,0,0]=4 37 B9R1.69 Cc1ccc(cc1C)O 2MP [2,0,0,0,0,0|1,0,1]=4 38 B9R1.69 Cc1ccc(cc1O)Cl JZ2 [2,0,0,0,0,0|2,0,0]=4 39 B9R1.69 c1cc(c(cc1Cl)Cl)O 5JC [2,0,0,0,0,0|2,0,0]=4 40 B9R1.69 c1cc(c(cc1Cl)O)O 4CL [2,0,0,0,0,0|1,0,0]=3 41 B9R1.69 c1cc(c(cc1F)O)O 3N8 [2,0,0,0,0,0|1,0,0]=3 42 B9R1.69 c1cc(c(cc1O)O)O HQN [2,0,0,0,0,0|0,0,1]=3 43 B9R1.69 c1cc(c(cc1O)O)S TH0 [2,0,0,0,0,0|0,1,1]=4 44 B9R1.1 C=Cc1ccc(cc1)O 4VP [2,0,0,0,0,0|1,0,0]=3 45 B9R1.1 CCc1ccc(cc1)O ETY [2,0,0,0,0,0|1,0,1]=4 46 B9R1.1 COc1ccc(cc1)O 4KS [2,0,0,0,0,0|2,0,0]=4 47 B9R1.1 c1cc(ccc1C#N)O H8N [2,0,0,0,0,0|1,0,1]=4 48 B9R1.1 c1cc(ccc1C=O)O HBA [2,0,0,0,0,0|0,0,0]=2 49 B11R1.266 COc1cccc(c1)C(=O)N 3MB [1,1,0,0,0,0|0,0,0]=2 50 B11R1.266 N=C(/c1cccc(c1)C=O)\N 3FZ [1,1,0,0,0,0|2,0,0]=4 51 B11R1.266 c1cc(cc(c1)C(=O)O)CN 3AZ [1,1,0,0,0,0|2,0,0]=4 52 B11R1.267 COc1cccc(c1O)OC 3DM [1,1,0,0,0,0|2,0,0]=4 53 B11R1.21 Cc1c(cc(cn1)C(=O)O)O 3HM [1,1,0,0,0,0|2,0,0]=4 54 B11R1.21 Cc1cc(ccc1Br)C(=O)O 0GF [1,1,0,0,0,0|1,0,0]=3 55 B11R1.21 Cc1cc(ccc1O)C(=O)C YTP [1,1,0,0,0,0|0,0,0]=2 56 B11R1.21 Cc1ccc(cc1O)C(=C)C 0WV [1,1,0,0,0,0|2,0,0]=4 57 B11R1.21 c1c[n+](c(cc1C(=O)O)O)[O-] INO [1,1,0,0,0,0|1,0,1]=4 58 B11R1.21 c1cc([n+](cc1C(=O)O)[O-])O NNO [1,1,0,0,0,0|1,0,1]=4 59 B11R1.21 c1cc(c(cc1C(=O)N)F)F 2HO [1,1,0,0,0,0|2,0,0]=4 60 B11R1.21 c1cc(c(cc1C(=O)O)Cl)Cl 34Z [1,1,0,0,0,0|2,0,0]=4 61 B11R1.21 c1cc(c(cc1C(=O)O)Cl)O CHB [1,1,0,0,0,0|1,0,0]=3 62 B11R1.21 c1cc(c(cc1C(=O)O)F)O FHB [1,1,0,0,0,0|1,0,0]=3 63 B11R1.21 c1cc(c(cc1C(=O)O)I)O IHB [1,1,0,0,0,0|1,0,0]=3 64 B11R1.21 c1cc(c(cc1C(=O)O)O)N 4A3 [1,1,0,0,0,0|1,0,0]=3 65 B11R1.21 c1cc(c(cc1C(=O)O)O)O DHB [1,1,0,0,0,0|0,0,0]=2 66 B11R1.21 c1cc(c(cc1N(=O)=O)Cl)O P9P [1,1,0,0,0,0|2,0,0]=4 67 B11R1.21 c1cc(c(cc1[N+](=O)[O-])O)O 4NC [1,1,0,0,0,0|1,0,0]=3 68 B11R1.192 c1cc(c(cc1CCN)O)O LDP [1,1,0,0,0,0|1,0,1]=4 69 B11R1.279 COc1ccc(cc1O)CN 47G [1,1,0,0,0,0|1,0,1]=4 70 B11R1.279 COc1ccc(cc1O)CO 2A9 [1,1,0,0,0,0|0,0,2]=4 71 B13R1.49 COc1cc(ccc1O)C(=O)OC VXX [0,2,0,0,0,0|0,0,0]=2 72 B13R1.3091 COc1ccc(cc1OC)C(=O)O TWO [0,2,0,0,0,0|0,0,0]=2 73 B13R1.575 COc1cc(ccc1O)\C=C\C=O CIY [0,2,0,0,0,0|0,0,0]=2 74 B13R1.575 COc1cc(ccc1O)\C=C\CO N7I [0,2,0,0,0,0|0,0,1]=3 75 B11R2.36 c1cc2c(cc1O)OCO2 BZX [1,0,0,1,0,0|0,0,1]=3 76 B13R2.430 c1cc2c(cc1C(=O)O)CCO2 3A9 [0,1,0,1,0,0|1,0,0]=3 77 B13R2.430 c1cc2c(cc1C(=O)O)OCO2 0HN [0,1,0,1,0,0|0,0,0]=2 78 B13R2.57 c1cc2c(cc1CO)OCCO2 8ZE [0,1,0,1,0,0|0,0,2]=4