0 B11R1.22 C1=CC(=CC=C1C(=O)C=O)F 6237 [0,0,0,0,0,0|3,0,0]=3 1 B11R1.22 C1=CC(=CC=C1C(=O)CBr)Br 5388 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.22 C1=CC(=CC=C1C(=O)CBr)Cl 8413 [0,0,0,0,0,0|3,0,0]=3 3 B11R1.22 C1=CC(=CC=C1C(=O)CBr)F 5562 [0,0,0,0,0,0|3,0,0]=3 4 B11R1.22 C1=CC(=CC=C1C(=O)CBr)F 6515 [0,0,0,0,0,0|3,0,0]=3 5 B11R1.22 C1=CC(=CC=C1C(=O)CBr)O 10265 [0,0,0,0,0,0|2,0,0]=2 6 B11R1.22 C1=CC(=CC=C1C(=O)NN)Br 5721 [0,0,0,0,0,0|3,0,0]=3 7 B11R1.22 C1=CC(=CC=C1C(=O)NN)F 8576 [0,0,0,0,0,0|3,0,0]=3 8 B11R1.22 C1=CC(=CC=C1C(=O)NN)I 6553 [0,0,0,0,0,0|3,0,0]=3 9 B11R1.22 COC(=O)C1=CC=C(C=C1)N 6641 [0,0,0,0,0,0|1,0,0]=1 10 B11R1.22 COC(=O)C1=CN=C(C=C1)N 5257 [0,0,0,0,0,0|2,0,0]=2 11 B11R1.22 COC(=O)C1=CN=C(C=C1)N 9348 [0,0,0,0,0,0|2,0,0]=2 12 B10R1.1 C1=CC(=CC=C1CCO)O 8495 [1,0,0,0,0,0|2,0,1]=4 13 B10R1.13 B(C1=CC=C(C=C1)Br)(O)O 5360 [1,0,0,0,0,0|2,0,1]=4 14 B10R1.13 B(C1=CC=C(C=C1)C)(O)O 5425 [1,0,0,0,0,0|2,0,1]=4 15 B10R1.13 B(C1=CC=C(C=C1)C)(O)O 9510 [1,0,0,0,0,0|2,0,1]=4 16 B10R1.13 B(C1=CC=C(C=C1)F)(O)O 6296 [1,0,0,0,0,0|2,0,1]=4 17 B10R1.13 B(C1=CC=C(C=C1)O)(O)O 6782 [1,0,0,0,0,0|1,0,1]=3 18 B10R1.13 C1=C(N=CC(=N1)Cl)C(=O)O 8658 [1,0,0,0,0,0|3,0,0]=4 19 B10R1.13 C1=CC(=CC=C1C(=N)N)Cl 8212 [1,0,0,0,0,0|3,0,0]=4 20 B10R1.13 C1=CC(=CC=C1C(=O)Cl)F 9898 [1,0,0,0,0,0|2,0,0]=3 21 B10R1.13 C1=CC(=CC=C1C(=O)O)Cl 6827 [1,0,0,0,0,0|1,0,0]=2 22 B10R1.13 C1=CC(=CC=C1C(=O)O)F 5362 [1,0,0,0,0,0|1,0,0]=2 23 B10R1.13 C1=CC(=CC=C1C(=O)O)F 8250 [1,0,0,0,0,0|1,0,0]=2 24 B10R1.13 C1=CC(=CC=C1C(=S)N)Cl 10635 [1,0,0,0,0,0|2,1,0]=4 25 B10R1.13 C1=CC(=CC=C1[N+](=O)[O-])Br 10151 [1,0,0,0,0,0|2,0,1]=4 26 B10R1.13 C1=CC(=CC=C1[N+](=O)[O-])F 6117 [1,0,0,0,0,0|2,0,1]=4 27 B10R1.13 C1=CC(=CC=C1[N+](=O)[O-])[O-] 10257 [1,0,0,0,0,0|1,0,2]=4 28 B10R1.13 C1=CC(=NC=C1C(=O)O)Br 6594 [1,0,0,0,0,0|2,0,0]=3 29 B10R1.13 C1=CC(=NC=C1C(=O)O)F 8791 [1,0,0,0,0,0|2,0,0]=3 30 B10R1.13 C1=CC(=NC=C1C(=O)O)N 5220 [1,0,0,0,0,0|2,0,0]=3 31 B10R1.13 C1=CC(=NC=C1Cl)C(=O)O 9363 [1,0,0,0,0,0|2,0,0]=3 32 B10R1.13 C1=CC(=NC=C1N)C(=O)O 5702 [1,0,0,0,0,0|2,0,0]=3 33 B10R1.13 C1=CC(=NN=C1C(=O)O)Cl 6730 [1,0,0,0,0,0|3,0,0]=4 34 B10R1.13 C1=CC(=O)NC=C1C(=O)O 9694 [1,0,0,0,0,0|1,0,1]=3 35 B10R1.13 C1=C[N+](=CC=C1C(=O)O)[O-] 8865 [1,0,0,0,0,0|1,0,1]=3 36 B10R1.13 CC(=O)C1=CC=C(C=C1)I 9277 [1,0,0,0,0,0|1,0,0]=2 37 B10R1.13 CC(=O)C1=CC=C(C=C1)O 8298 [1,0,0,0,0,0|0,0,0]=1 38 B10R1.13 CC(=O)C1=CN=C(C=C1)Cl 9976 [1,0,0,0,0,0|2,0,0]=3 39 B10R1.13 CC(C1=CC=C(C=C1)F)O 6019 [1,0,0,0,0,0|1,0,2]=4 40 B10R1.13 CC1=CC=C(C=C1)C(=O)O 9874 [1,0,0,0,0,0|1,0,0]=2 41 B10R1.13 CC1=NC=C(N=C1)C(=O)O 9695 [1,0,0,0,0,0|3,0,0]=4 42 B10R1.13 CN(C)C1=CC=C(C=C1)F 10045 [1,0,0,0,0,0|3,0,0]=4 43 B10R1.13 Cc1ccc(cc1)[N+](=O)[O-] N0068 [1,0,0,0,0,0|2,0,1]=4 44 B10R1.13 Cc1ccc(cc1)[N+](=O)[O-] N0068 [1,0,0,0,0,0|2,0,1]=4 45 B10R1.13 c1cc(ccc1[N+](=O)[O-])O N0023 [1,0,0,0,0,0|1,0,1]=3 46 B10R1.15 C1=CC(=CN=C1)C(=O)NN 6873 [1,0,0,0,0,0|3,0,0]=4 47 B10R1.15 C1=CC=C(C=C1)C(=O)CN 5484 [1,0,0,0,0,0|2,0,0]=3 48 B10R1.15 C1=CN=CC=C1C(=O)NN 8671 [1,0,0,0,0,0|3,0,0]=4 49 B10R1.15 COC(=O)C1=CC=NC=C1 9961 [1,0,0,0,0,0|1,0,0]=2 50 B10R1.15 COC(=O)C1=CN=CC=C1 6793 [1,0,0,0,0,0|1,0,0]=2 51 B10R1.15 COC(=O)C1=NC=CC=N1 9564 [1,0,0,0,0,0|2,0,0]=3 52 B12R1.5 COC1=CC=C(C=C1)C(=O)CBr 9861 [0,1,0,0,0,0|2,0,0]=3 53 B12R1.16 CCCC(=O)C1=CC=C(C=C1)N 10375 [0,1,0,0,0,0|2,0,0]=3 54 B12R1.16 CCOC(=O)C1=CC=C(C=C1)Br 10165 [0,1,0,0,0,0|1,0,0]=2 55 B12R1.16 CCOC(=O)C1=CC=C(C=C1)F 5606 [0,1,0,0,0,0|1,0,0]=2 56 B12R1.16 CCOC(=O)C1=CC=C(C=C1)I 5062 [0,1,0,0,0,0|1,0,0]=2 57 B12R1.16 CCOC(=O)C1=CC=C(C=C1)N 10608 [0,1,0,0,0,0|1,0,0]=2 58 B12R1.16 CCOC(=O)C1=CN=C(C=C1)Cl 10437 [0,1,0,0,0,0|2,0,0]=3 59 B12R1.367 C1=CC(=C(C=C1C(=O)CBr)F)F 5961 [0,1,0,0,0,0|3,0,0]=4 60 B12R1.367 C1=CC(=C(C=C1C(=O)CCl)O)O 8802 [0,1,0,0,0,0|2,0,0]=3 61 B12R1.367 CCC(=O)C1=CC(=C(C=C1)F)F 6217 [0,1,0,0,0,0|2,0,0]=3 62 B12R1.367 COC(=O)C1=CC(=C(C=C1)Br)N 9360 [0,1,0,0,0,0|1,0,0]=2 63 B12R1.367 COC(=O)C1=CC(=C(C=C1)F)F 6408 [0,1,0,0,0,0|1,0,0]=2 64 B12R1.367 COC(=O)C1=CC(=C(C=C1)F)N 6770 [0,1,0,0,0,0|1,0,0]=2 65 B12R1.367 COC(=O)C1=CC(=C(C=C1)N)F 5696 [0,1,0,0,0,0|1,0,0]=2 66 B12R1.367 COC(=O)C1=CC(=C(C=C1)N)N 8012 [0,1,0,0,0,0|1,0,0]=2 67 B12R1.367 COC(=O)C1=CC(=C(C=C1)O)N 9546 [0,1,0,0,0,0|0,0,0]=1 68 B12R1.1703 C1=CC(=C(C=C1Cl)Cl)C(=O)CCl 9613 [0,1,0,0,0,0|3,0,0]=4 69 B12R1.1703 C1=CC(=C(C=C1O)O)C(=O)NN 9582 [0,1,0,0,0,0|2,0,0]=3 70 B12R1.1703 CC1=C(C=CC(=C1)F)C(=O)OC 10692 [0,1,0,0,0,0|1,0,0]=2 71 B12R1.1703 COC(=O)C1=C(C=C(C=C1)Cl)Cl 5266 [0,1,0,0,0,0|1,0,0]=2 72 B12R1.1703 COC(=O)C1=C(C=C(C=C1)F)Cl 5134 [0,1,0,0,0,0|1,0,0]=2 73 B12R1.1703 COC(=O)C1=C(C=C(C=C1)N)O 8269 [0,1,0,0,0,0|1,0,0]=2 74 B12R1.1703 COC(=O)C1=CN=C(C=C1Cl)Cl 9009 [0,1,0,0,0,0|2,0,0]=3 75 B12R2.612 C1CC(=O)C2=C1C=C(C=C2)F 5113 [0,0,0,1,0,0|2,0,0]=3 76 B12R2.612 c1cc2c(cc1N)CCC2=O A2089 [0,0,0,1,0,0|2,0,0]=3 77 B12R2.612 c1cc2c(cc1N)COC2=O A0079 [0,0,0,1,0,0|1,0,0]=2 78 B10R1.14 COC(=O)C1=CC(=O)NO1 10528 [0,0,0,0,1,0|2,0,1]=4 79 B10R1.14 COC(=O)C1=CN=C(S1)N 6734 [0,0,0,0,1,0|3,0,0]=4 80 B12R1.49 C1=CC(=CC=C1NC(=O)CCl)F 6186 [0,0,0,0,0,1|3,0,0]=4 81 B12R1.49 COC(=O)CC1=CC=C(C=C1)Br 9444 [0,0,0,0,0,1|1,0,0]=2 82 B9R1.1 C1=CC(=CC=C1C=O)F 6034 [2,0,0,0,0,0|1,0,0]=3 83 B9R1.1 C1=CC(=CC=C1C=O)I 5018 [2,0,0,0,0,0|1,0,0]=3 84 B9R1.1 C1=CC(=CC=C1C=O)O 5740 [2,0,0,0,0,0|0,0,0]=2 85 B9R1.1 C1=CC(=CC=C1CN)O 8602 [2,0,0,0,0,0|1,0,1]=4 86 B9R1.1 C1=CC(=NC=C1Br)C=O 5008 [2,0,0,0,0,0|2,0,0]=4 87 B9R1.1 C1=CC(=NC=C1C=O)Cl 5230 [2,0,0,0,0,0|2,0,0]=4 88 B9R1.1 C=CC1=CC=C(C=C1)N 6013 [2,0,0,0,0,0|1,0,1]=4 89 B9R1.1 COC1=CC=C(C=C1)Br 6813 [2,0,0,0,0,0|1,0,0]=3 90 B9R1.1 COC1=CC=C(C=C1)F 5383 [2,0,0,0,0,0|1,0,0]=3 91 B9R1.1 COC1=CC=C(C=C1)N 8631 [2,0,0,0,0,0|1,0,0]=3 92 B9R1.1 COC1=CC=C(C=C1)S 8726 [2,0,0,0,0,0|0,1,0]=3 93 B9R1.1 COC1=NC=C(C=C1)Br 9358 [2,0,0,0,0,0|2,0,0]=4 94 B9R1.1 COC1=NC=C(C=C1)Br 9555 [2,0,0,0,0,0|2,0,0]=4 95 B9R1.1 COC1=NC=C(C=C1)Cl 9538 [2,0,0,0,0,0|2,0,0]=4 96 B9R1.1 COC1=NC=C(C=C1)N 9999 [2,0,0,0,0,0|2,0,0]=4 97 B9R1.1 CSC1=CC=C(C=C1)F 9086 [2,0,0,0,0,0|1,1,0]=4 98 B9R1.8 C1=CC=C(C=C1)CON 10183 [2,0,0,0,0,0|1,0,1]=4 99 B9R1.6 C1=CC=C(C=C1)C(=O)O 9205 [2,0,0,0,0,0|0,0,0]=2 100 B9R1.6 C1=CC=C(C=C1)C(=S)N 5715 [2,0,0,0,0,0|1,1,0]=4 101 B9R1.6 C1=CC=C(C=C1)P(=O)O 5787 [2,0,0,0,0,0|1,0,0]=3 102 B9R1.6 C1=CC=C(C=C1)S(=O)O 5284 [2,0,0,0,0,0|1,0,0]=3 103 B9R1.6 C1=CN=C(C=N1)C(=O)O 6728 [2,0,0,0,0,0|2,0,0]=4 104 B9R1.6 C1=CN=CN=C1C(=O)O 10206 [2,0,0,0,0,0|2,0,0]=4 105 B9R1.6 C1=CN=CN=C1C(=O)O 6729 [2,0,0,0,0,0|2,0,0]=4 106 B9R1.6 CC(=O)C1=NC=CN=C1 6119 [2,0,0,0,0,0|2,0,0]=4 107 B9R1.6 c1ccnc(c1)C(=O)O P2885 [2,0,0,0,0,0|1,0,0]=3 108 B9R1.6 c1cncnc1C(=O)O P8990 [2,0,0,0,0,0|2,0,0]=4 109 B11R1.20 CC(=O)Nc1ccc(cc1)O A0029 [1,1,0,0,0,0|2,0,0]=4 110 B11R1.83 C\C=C\C1=CC=C(C=C1)OC 5527 [1,1,0,0,0,0|1,0,0]=3 111 B11R1.3 B(C1=CC=C(C=C1)CO)(O)O 6503 [1,1,0,0,0,0|1,0,1]=4 112 B11R1.3 B(C1=CC=C(C=C1)OC)(O)O 9492 [1,1,0,0,0,0|1,0,1]=4 113 B11R1.3 C1=CC(=CC=C1C=O)C(=O)O 6784 [1,1,0,0,0,0|0,0,1]=3 114 B11R1.3 C1=CC(=CC=C1CN)C(=O)O 6756 [1,1,0,0,0,0|1,0,0]=3 115 B11R1.3 CC(=O)C1=CC=C(C=C1)C#N 6778 [1,1,0,0,0,0|1,0,0]=3 116 B11R1.3 COC1=CC=C(C=C1)C(=O)O 10197 [1,1,0,0,0,0|0,0,0]=2 117 B11R1.3 COC1=NC=C(C=C1)C(=O)O 6684 [1,1,0,0,0,0|1,0,0]=3 118 B11R1.19 C1=CC(=CC=C1N)S(=O)(=O)O 6804 [1,1,0,0,0,0|2,0,0]=4 119 B11R1.19 C1=CC(=CC=C1S(=O)(=O)O)Cl 6805 [1,1,0,0,0,0|2,0,0]=4 120 B11R1.19 CC(C)(C)C1=CC=C(C=C1)O 9567 [1,1,0,0,0,0|1,0,1]=4 121 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)C 9927 [1,1,0,0,0,0|2,0,0]=4 122 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O 5499 [1,1,0,0,0,0|2,0,0]=4 123 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O 8893 [1,1,0,0,0,0|2,0,0]=4 124 B11R1.19 CS(=O)(=O)C1=CC=C(C=C1)Br 6161 [1,1,0,0,0,0|2,0,0]=4 125 B11R1.19 CS(=O)(=O)C1=CC=C(C=C1)N 8975 [1,1,0,0,0,0|2,0,0]=4 126 B11R1.19 CS(=O)(=O)C1=CC=C(C=C1)O 5187 [1,1,0,0,0,0|1,0,0]=3 127 B11R1.21 C1=CC(=C(C=C1C(=O)Cl)Cl)F 6379 [1,1,0,0,0,0|2,0,0]=4 128 B11R1.21 C1=CC(=C(C=C1C(=O)N)Cl)F 6189 [1,1,0,0,0,0|2,0,0]=4 129 B11R1.21 C1=CC(=C(C=C1C(=O)N)F)F 6205 [1,1,0,0,0,0|2,0,0]=4 130 B11R1.21 C1=CC(=C(C=C1C(=O)O)Br)Cl 6852 [1,1,0,0,0,0|1,0,0]=3 131 B11R1.21 C1=CC(=C(C=C1C(=O)O)Cl)Br 10653 [1,1,0,0,0,0|1,0,0]=3 132 B11R1.21 C1=CC(=C(C=C1C(=O)O)Cl)F 5565 [1,1,0,0,0,0|1,0,0]=3 133 B11R1.21 C1=CC(=C(C=C1C(=O)O)Cl)N 10388 [1,1,0,0,0,0|1,0,0]=3 134 B11R1.21 C1=CC(=C(C=C1C(=O)O)F)Cl 6223 [1,1,0,0,0,0|1,0,0]=3 135 B11R1.21 C1=CC(=C(C=C1C(=O)O)F)F 10520 [1,1,0,0,0,0|1,0,0]=3 136 B11R1.21 C1=CC(=C(C=C1C(=O)O)F)N 8422 [1,1,0,0,0,0|1,0,0]=3 137 B11R1.21 C1=CC(=C(C=C1C(=O)O)F)O 9542 [1,1,0,0,0,0|0,0,0]=2 138 B11R1.21 C1=CC(=C(C=C1C(=O)O)I)Cl 10576 [1,1,0,0,0,0|1,0,0]=3 139 B11R1.21 C1=CC(=C(C=C1C(=O)O)N)Cl 8056 [1,1,0,0,0,0|1,0,0]=3 140 B11R1.21 C1=CC(=C(C=C1C(=O)O)N)F 8984 [1,1,0,0,0,0|1,0,0]=3 141 B11R1.21 C1=CC(=C(C=C1C(=O)O)N)O 10466 [1,1,0,0,0,0|0,0,0]=2 142 B11R1.21 C1=CC(=C(C=C1C(=O)O)O)O 8891 [1,1,0,0,0,0|0,0,0]=2 143 B11R1.21 C1=CC(=C(C=C1[N+](=O)[O-])Br)O 10420 [1,1,0,0,0,0|1,0,1]=4 144 B11R1.21 C1=CC(=C(C=C1[N+](=O)[O-])F)O 8571 [1,1,0,0,0,0|1,0,1]=4 145 B11R1.21 CC(=O)C1=CC(=C(C=C1)F)Br 6438 [1,1,0,0,0,0|1,0,0]=3 146 B11R1.21 CC(=O)C1=CC(=C(C=C1)F)F 5378 [1,1,0,0,0,0|1,0,0]=3 147 B11R1.21 CC(=O)C1=CC(=C(C=C1)O)F 6468 [1,1,0,0,0,0|0,0,0]=2 148 B11R1.21 CC1=C(C=C(C=C1)C(=O)C)F 8214 [1,1,0,0,0,0|1,0,0]=3 149 B11R1.21 CC1=C(C=C(C=C1)C(=O)Cl)F 5569 [1,1,0,0,0,0|2,0,0]=4 150 B11R1.21 CC1=C(C=C(C=C1)C(=O)N)C 10163 [1,1,0,0,0,0|2,0,0]=4 151 B11R1.21 CC1=C(C=C(C=C1)C(=O)N)F 8586 [1,1,0,0,0,0|2,0,0]=4 152 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)Cl 6856 [1,1,0,0,0,0|1,0,0]=3 153 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)F 5127 [1,1,0,0,0,0|1,0,0]=3 154 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)F 8978 [1,1,0,0,0,0|1,0,0]=3 155 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)I 6495 [1,1,0,0,0,0|1,0,0]=3 156 B11R1.21 CC1=C(C=CC(=C1)C(=O)Cl)F 6280 [1,1,0,0,0,0|2,0,0]=4 157 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)Br 6529 [1,1,0,0,0,0|1,0,0]=3 158 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)Cl 10036 [1,1,0,0,0,0|1,0,0]=3 159 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)I 8691 [1,1,0,0,0,0|1,0,0]=3 160 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)N 5197 [1,1,0,0,0,0|1,0,0]=3 161 B11R1.166 C1=C(C(=CN=C1Cl)C(=O)O)Cl 8416 [1,1,0,0,0,0|2,0,0]=4 162 B11R1.166 C1=C(C(=NC=C1Br)C(=O)O)Cl 9803 [1,1,0,0,0,0|2,0,0]=4 163 B11R1.166 C1=C(C=NC(=C1Cl)C(=O)O)Cl 8448 [1,1,0,0,0,0|2,0,0]=4 164 B11R1.166 C1=CC(=C(C=C1Br)Br)C(=O)O 9828 [1,1,0,0,0,0|1,0,0]=3 165 B11R1.166 C1=CC(=C(C=C1Br)Cl)C(=O)O 5684 [1,1,0,0,0,0|1,0,0]=3 166 B11R1.166 C1=CC(=C(C=C1Br)F)C(=O)O 9928 [1,1,0,0,0,0|1,0,0]=3 167 B11R1.166 C1=CC(=C(C=C1Cl)Cl)C(=O)O 6787 [1,1,0,0,0,0|1,0,0]=3 168 B11R1.166 C1=CC(=C(C=C1Cl)F)C(=O)O 6191 [1,1,0,0,0,0|1,0,0]=3 169 B11R1.166 C1=CC(=C(C=C1Cl)I)C(=O)O 5553 [1,1,0,0,0,0|1,0,0]=3 170 B11R1.166 C1=CC(=C(C=C1Cl)O)C(=O)O 5117 [1,1,0,0,0,0|1,0,0]=3 171 B11R1.166 C1=CC(=C(C=C1F)Br)C(=O)O 6240 [1,1,0,0,0,0|1,0,0]=3 172 B11R1.166 C1=CC(=C(C=C1F)Br)C(=O)O 9681 [1,1,0,0,0,0|1,0,0]=3 173 B11R1.166 C1=CC(=C(C=C1F)Cl)C(=O)Cl 6193 [1,1,0,0,0,0|2,0,0]=4 174 B11R1.166 C1=CC(=C(C=C1F)Cl)C(=O)O 5349 [1,1,0,0,0,0|1,0,0]=3 175 B11R1.166 C1=CC(=C(C=C1F)F)C(=O)Cl 6207 [1,1,0,0,0,0|2,0,0]=4 176 B11R1.166 C1=CC(=C(C=C1F)F)C(=O)N 9781 [1,1,0,0,0,0|2,0,0]=4 177 B11R1.166 C1=CC(=C(C=C1F)N)C(=O)O 10307 [1,1,0,0,0,0|1,0,0]=3 178 B11R1.166 C1=CC(=C(C=C1N)F)C(=O)[O-] 6630 [1,1,0,0,0,0|1,0,1]=4 179 B11R1.166 C1=CC(=C(C=C1N)O)C(=O)O 6786 [1,1,0,0,0,0|1,0,0]=3 180 B11R1.166 C1=CC(=C(C=C1O)Cl)C(=O)O 8738 [1,1,0,0,0,0|0,0,0]=2 181 B11R1.166 C1=CC(=C(C=C1O)F)C(=O)O 5209 [1,1,0,0,0,0|0,0,0]=2 182 B11R1.166 C1=CC(=NC(=C1C(=O)O)Cl)Cl 5307 [1,1,0,0,0,0|2,0,0]=4 183 B11R1.166 CC(=O)C1=C(C=C(C=C1)Cl)F 10081 [1,1,0,0,0,0|1,0,0]=3 184 B11R1.166 CC(=O)C1=C(C=C(C=C1)F)O 9883 [1,1,0,0,0,0|1,0,0]=3 185 B11R1.166 CC1=C(C=CC(=C1)Br)C(=O)O 10616 [1,1,0,0,0,0|1,0,0]=3 186 B11R1.166 CC1=C(C=CC(=C1)Cl)C(=O)O 5555 [1,1,0,0,0,0|1,0,0]=3 187 B11R1.166 CC1=C(C=CC(=C1)O)C(=O)O 9034 [1,1,0,0,0,0|0,0,0]=2 188 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)O 6607 [1,1,0,0,0,0|1,0,0]=3 189 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)O 6608 [1,1,0,0,0,0|1,0,0]=3 190 B11R1.166 CC1=CC(=CN=C1C(=O)O)Br 8694 [1,1,0,0,0,0|2,0,0]=4 191 B11R1.166 CC1=CC(=O)C(=CN1)C(=O)O 5043 [1,1,0,0,0,0|2,0,0]=4 192 B11R1.16 C1=CC=C(C=C1)C(=O)N=C=S 8487 [1,1,0,0,0,0|1,0,1]=4 193 B11R1.16 C1=CC=C(C=C1)C(=O)NCO 5641 [1,1,0,0,0,0|1,0,0]=3 194 B11R1.23 C1=CC(=CC(=C1)F)C(=O)NN 9266 [1,1,0,0,0,0|2,0,0]=4 195 B11R1.23 C1=CC(=CC(=C1)I)C(=O)NN 9274 [1,1,0,0,0,0|2,0,0]=4 196 B11R1.23 CCC(=O)C1=CC(=CC=C1)F 5174 [1,1,0,0,0,0|1,0,0]=3 197 B11R1.23 COC(=O)C1=CC(=CC=C1)Cl 8550 [1,1,0,0,0,0|0,0,0]=2 198 B11R1.23 COC(=O)C1=CC(=CC=C1)I 9834 [1,1,0,0,0,0|0,0,0]=2 199 B11R1.23 COC(=O)C1=CC(=CC=C1)O 10660 [1,1,0,0,0,0|0,0,0]=2 200 B11R1.23 COC(=O)C1=CC(=CN=C1)Br 5020 [1,1,0,0,0,0|1,0,0]=3 201 B11R1.23 COC(=O)C1=NC=CC(=C1)Br 9818 [1,1,0,0,0,0|1,0,0]=3 202 B11R1.23 COC(=O)C1=NC=CC(=C1)Cl 9624 [1,1,0,0,0,0|1,0,0]=3 203 B11R1.222 C1=CC=C(C(=C1)C(=O)CBr)F 8148 [1,1,0,0,0,0|2,0,0]=4 204 B11R1.222 C1=CC=C(C(=C1)C(=O)NN)F 8384 [1,1,0,0,0,0|2,0,0]=4 205 B11R1.222 C1=CC=C(C(=C1)C(=O)NO)O 9621 [1,1,0,0,0,0|2,0,0]=4 206 B11R1.222 CNC(=O)C1=CC=CC=C1N 8920 [1,1,0,0,0,0|1,0,0]=3 207 B11R1.222 COC(=O)C1=C(C=CN=C1)N 10408 [1,1,0,0,0,0|1,0,0]=3 208 B11R1.222 COC(=O)C1=C(C=NC=C1)Br 10681 [1,1,0,0,0,0|1,0,0]=3 209 B11R1.222 COC(=O)C1=C(N=CC=C1)Cl 6783 [1,1,0,0,0,0|1,0,0]=3 210 B11R1.222 COC(=O)C1=CC=CC=C1F 6341 [1,1,0,0,0,0|0,0,0]=2 211 B11R1.222 COC(=O)C1=NC=CN=C1N 10013 [1,1,0,0,0,0|2,0,0]=4 212 B13R1.19 CCOC(=O)CC1=CC=C(C=C1)N 8096 [0,1,0,0,0,1|1,0,0]=3 213 B13R1.19 CCOC(=O)NC1=CC=C(C=C1)Cl 8014 [0,1,0,0,0,1|1,0,0]=3 214 B13R1.537 B(C1=CC=C(C=C1)C(=O)OC)(O)O 5435 [0,2,0,0,0,0|0,0,0]=2 215 B13R1.537 COC(=O)c1ccc(cc1)C(F)F M0402 [0,2,0,0,0,0|1,0,0]=3 216 B13R1.3088 COC1=C(C=C(C=C1)C(=O)OC)N 8846 [0,2,0,0,0,0|0,0,0]=2 217 B13R1.3088 COC1=C(C=C(C=C1)C(=O)OC)O 9409 [0,2,0,0,0,0|0,0,0]=2 218 B13R1.466 CCOC(=O)C1=CC(=C(C=C1)F)F 5270 [0,2,0,0,0,0|1,0,0]=3 219 B13R1.1511 CCOC(=O)C1=C(C=C(C=C1)F)F 5545 [0,2,0,0,0,0|1,0,0]=3 220 B13R1.49 COC1=C(C=CC(=C1)C(=O)OC)N 6843 [0,2,0,0,0,0|1,0,0]=3 221 B11R1.37 COC1=C(C=CC(=C1)O)C=O 5482 [0,0,1,1,0,0|2,0,0]=4 222 B13R2.2130 C1C2=C(C=CC(=C2)C#N)C(=O)O1 8410 [0,1,0,1,0,0|1,0,0]=3 223 B13R2.5187 C1=CC2=C(C=C1Br)C(=O)OC2=O 5718 [0,1,0,1,0,0|1,0,1]=4 224 B13R2.5187 C1=CC2=C(C=C1Br)C(=O)OC2=O 6422 [0,1,0,1,0,0|1,0,1]=4 225 B13R2.5187 C1=CC2=C(C=C1F)C(=O)OC2=O 10367 [0,1,0,1,0,0|1,0,1]=4 226 B13R2.5187 C1=CC2=C(C=C1F)C(=O)OC2=O 9896 [0,1,0,1,0,0|1,0,1]=4 227 B13R2.11642 C1CC(=O)C2=C1C=C(C=C2F)F D1892 [0,1,0,1,0,0|2,0,0]=4 228 B13R2.11642 c1c(cc(c2c1CCC2=O)Br)Br D2987 [0,1,0,1,0,0|2,0,0]=4 229 B13R2.11642 c1c(cc(c2c1CCC2=O)Cl)Cl D1890 [0,1,0,1,0,0|2,0,0]=4 230 B9R1.35 C1=C(OC(=C1)Br)C(=O)O 6446 [1,0,0,0,1,0|2,0,0]=4 231 B9R1.35 C1=C(SC(=C1)Br)C(=O)O 6855 [1,0,0,0,1,0|2,0,0]=4 232 B9R1.35 C1=C(SC=C1Br)C(=O)O 5005 [1,0,0,0,1,0|2,0,0]=4 233 B9R1.35 CC(=O)C1=CC=C(S1)Br 9665 [1,0,0,0,1,0|2,0,0]=4 234 B9R1.35 CC1=CC=C(S1)C(=O)C 10140 [1,0,0,0,1,0|2,0,0]=4 235 B9R1.35 CC1=CC=C(S1)C(=O)O 6693 [1,0,0,0,1,0|2,0,0]=4 236 B9R1.11 CCC(=O)C1=CC=CS1 10053 [1,0,0,0,1,0|2,0,0]=4 237 B9R1.11 COC(=O)C1=CC=NN1 6618 [1,0,0,0,1,0|2,0,0]=4 238 B9R1.11 COC(=O)C1=CN=CN1 10237 [1,0,0,0,1,0|2,0,0]=4