0 B11R1.166 C1=CC(=C(C=C1Cl)O)C(=O)O 5117 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.166 C1=CC(=C(C=C1F)Br)C(F)F 8041 [0,0,0,0,0,0|4,0,0]=4 2 B11R1.166 C1=CC(=C(C=C1F)O)[N+](=O)[O-] 5234 [0,0,0,0,0,0|4,0,0]=4 3 B11R1.166 C1=CC(=C(C=C1F)O)[N+](=O)[O-] 5557 [0,0,0,0,0,0|4,0,0]=4 4 B11R1.166 C1=CC(=C(C=C1N)O)C(=O)O 6786 [0,0,0,0,0,0|3,0,1]=4 5 B11R1.166 CC(=O)C1=C(C=C(C=C1)Cl)F 10081 [0,0,0,0,0,0|3,0,1]=4 6 B11R1.166 CC(=O)C1=C(C=C(C=C1)F)O 9883 [0,0,0,0,0,0|2,0,1]=3 7 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)O 6607 [0,0,0,0,0,0|2,0,1]=3 8 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)O 6608 [0,0,0,0,0,0|2,0,1]=3 9 B10R1.13 B(C1=CC=C(C=C1)C)(O)O 5425 [1,0,0,0,0,0|3,0,0]=4 10 B10R1.13 B(C1=CC=C(C=C1)C)(O)O 9510 [1,0,0,0,0,0|3,0,0]=4 11 B10R1.13 C1=CC(=CC=C1C(F)F)Br 6597 [1,0,0,0,0,0|3,0,0]=4 12 B10R1.13 C1=CC(=CC=C1C(F)F)F 10624 [1,0,0,0,0,0|3,0,0]=4 13 B10R1.13 CC(=O)C1=CC=C(C=C1)I 9277 [1,0,0,0,0,0|2,0,1]=4 14 B10R1.13 CC(=O)C1=CC=C(C=C1)O 8298 [1,0,0,0,0,0|2,0,1]=4 15 B10R1.13 CC(C1=CC=C(C=C1)F)O 6019 [1,0,0,0,0,0|2,0,0]=3 16 B10R1.13 CC1=CC=C(C=C1)C(=O)O 9874 [1,0,0,0,0,0|2,0,1]=4 17 B10R1.13 CN(C)C1=CC=C(C=C1)F 10045 [1,0,0,0,0,0|2,0,0]=3 18 B10R1.13 Cc1ccc(cc1)[N+](=O)[O-] N0068 [1,0,0,0,0,0|3,0,0]=4 19 B10R1.13 Cc1ccc(cc1)[N+](=O)[O-] N0068 [1,0,0,0,0,0|3,0,0]=4 20 B10R1.25 C1=CC(=C(C=C1Br)F)CBr 6181 [1,0,0,0,0,0|3,0,0]=4 21 B10R1.25 C1=CC(=C(C=C1Br)F)CN 8039 [1,0,0,0,0,0|3,0,0]=4 22 B10R1.25 C1=CC(=C(C=C1Br)O)C#N 8623 [1,0,0,0,0,0|2,0,1]=4 23 B10R1.25 C1=CC(=C(C=C1Cl)F)CBr 5211 [1,0,0,0,0,0|3,0,0]=4 24 B10R1.25 C1=CC(=C(C=C1Cl)F)CO 9790 [1,0,0,0,0,0|3,0,0]=4 25 B10R1.25 C1=CC(=C(C=C1F)Cl)CN 6194 [1,0,0,0,0,0|3,0,0]=4 26 B10R1.25 C1=CC(=C(C=C1F)F)CBr 10356 [1,0,0,0,0,0|3,0,0]=4 27 B10R1.25 C1=CC(=C(C=C1F)F)CCl 10529 [1,0,0,0,0,0|3,0,0]=4 28 B10R1.25 C1=CC(=C(C=C1F)F)CN 5064 [1,0,0,0,0,0|3,0,0]=4 29 B10R1.25 C1=CC(=C(C=C1F)F)CO 5619 [1,0,0,0,0,0|3,0,0]=4 30 B10R1.25 C1=CC(=C(C=C1O)O)C=O 10275 [1,0,0,0,0,0|2,0,1]=4 31 B10R1.25 CC1=CC(=C(C=C1)C#N)F 6654 [1,0,0,0,0,0|2,0,1]=4 32 B10R1.25 CC1=CC(=C(C=C1)OC)I 6862 [1,0,0,0,0,0|2,0,0]=3 33 B10R1.25 COC1=C(C=C(C=C1)Br)O 6683 [1,0,0,0,0,0|2,0,0]=3 34 B10R1.25 COC1=C(C=C(C=C1)Cl)Br 6521 [1,0,0,0,0,0|3,0,0]=4 35 B10R1.25 COC1=C(C=C(C=C1)Cl)I 6532 [1,0,0,0,0,0|3,0,0]=4 36 B10R1.25 COC1=C(C=C(C=C1)F)Br 6127 [1,0,0,0,0,0|3,0,0]=4 37 B10R1.25 COC1=C(C=C(C=C1)F)Cl 9547 [1,0,0,0,0,0|3,0,0]=4 38 B10R1.25 COC1=C(C=C(C=C1)F)F 5613 [1,0,0,0,0,0|3,0,0]=4 39 B10R1.25 COC1=C(C=C(C=C1)F)O 6489 [1,0,0,0,0,0|2,0,0]=3 40 B10R1.25 COC1=C(C=C(C=C1)N)Br 9331 [1,0,0,0,0,0|3,0,0]=4 41 B10R1.25 COC1=C(C=C(C=C1)N)F 5654 [1,0,0,0,0,0|3,0,0]=4 42 B10R1.25 COC1=C(C=C(C=C1)N)I 10230 [1,0,0,0,0,0|3,0,0]=4 43 B10R1.25 Cc1cc(ccc1CN)F F0029 [1,0,0,0,0,0|3,0,0]=4 44 B10R1.61 C1=CC=C(C(=C1)C(F)F)Br 6596 [1,0,0,0,0,0|3,0,0]=4 45 B10R1.61 CC(=O)C1=CC=CC=C1Cl 6154 [1,0,0,0,0,0|2,0,1]=4 46 B10R1.61 CC(=O)C1=CC=CC=C1F 5580 [1,0,0,0,0,0|2,0,1]=4 47 B10R1.61 CC(=O)C1=CC=CC=C1F 6042 [1,0,0,0,0,0|2,0,1]=4 48 B10R1.61 CC(C)C1=CC=CC=C1I 8589 [1,0,0,0,0,0|1,0,0]=2 49 B10R1.61 CC(C)C1=CC=CC=C1N 10439 [1,0,0,0,0,0|1,0,0]=2 50 B10R1.61 CC(c1ccccc1N)O A1015 [1,0,0,0,0,0|2,0,0]=3 51 B12R1.57 CC(=O)C1=C(C=C(C=C1)F)OC 9275 [0,1,0,0,0,0|2,0,1]=4 52 B12R1.57 CC1=CC(=C(C=C1)C(=O)O)OC 5304 [0,1,0,0,0,0|2,0,1]=4 53 B12R1.126 CC1=CC(=C(C=C1)C(F)(F)F)Cl 8723 [0,1,0,0,0,0|3,0,0]=4 54 B12R1.1703 COC(=O)C1=C(C=C(C=C1)N)O 8269 [0,1,0,0,0,0|2,0,1]=4 55 B9R1.1 C1=CC(=CC=C1CBr)Br 10348 [2,0,0,0,0,0|2,0,0]=4 56 B9R1.1 C1=CC(=CC=C1CCl)Cl 6806 [2,0,0,0,0,0|2,0,0]=4 57 B9R1.1 C1=CC(=CC=C1CN)Br 8072 [2,0,0,0,0,0|2,0,0]=4 58 B9R1.1 C1=CC(=CC=C1CN)F 5139 [2,0,0,0,0,0|2,0,0]=4 59 B9R1.1 C1=CC(=CC=C1CN)O 8602 [2,0,0,0,0,0|2,0,0]=4 60 B9R1.1 C1=CC(=CC=C1CS)Cl 6134 [2,0,0,0,0,0|2,0,0]=4 61 B9R1.1 CC1=CC=C(C=C1)C#N 6644 [2,0,0,0,0,0|1,0,1]=4 62 B9R1.1 CC1=CC=C(C=C1)CBr 9734 [2,0,0,0,0,0|1,0,0]=3 63 B9R1.1 CC1=CC=C(C=C1)CN 9612 [2,0,0,0,0,0|1,0,0]=3 64 B9R1.1 COC1=CC=C(C=C1)Br 6813 [2,0,0,0,0,0|2,0,0]=4 65 B9R1.1 COC1=CC=C(C=C1)F 5383 [2,0,0,0,0,0|2,0,0]=4 66 B9R1.1 COC1=CC=C(C=C1)N 8631 [2,0,0,0,0,0|2,0,0]=4 67 B9R1.1 COC1=CC=C(C=C1)S 8726 [2,0,0,0,0,0|2,0,0]=4 68 B9R1.1 CSC1=CC=C(C=C1)F 9086 [2,0,0,0,0,0|2,0,0]=4 69 B9R1.6 CC(C1=CC=NC=C1)O 9776 [2,0,0,0,0,0|2,0,0]=4 70 B9R1.6 CN(C)C1=CC=NC=C1 5603 [2,0,0,0,0,0|2,0,0]=4 71 B9R1.6 CN(C)c1ccncc1 D0718 [2,0,0,0,0,0|2,0,0]=4 72 B9R1.15 C1=CC=C(C(=C1)C#N)O 9517 [2,0,0,0,0,0|1,0,1]=4 73 B9R1.15 C1=CC=C(C(=C1)C=O)O 5096 [2,0,0,0,0,0|1,0,1]=4 74 B9R1.15 C1=CC=C(C(=C1)CBr)F 5007 [2,0,0,0,0,0|2,0,0]=4 75 B9R1.15 C1=CC=C(C(=C1)CBr)F 5138 [2,0,0,0,0,0|2,0,0]=4 76 B9R1.15 C1=CC=C(C(=C1)CN)Br 8860 [2,0,0,0,0,0|2,0,0]=4 77 B9R1.15 C1=CC=C(C(=C1)CN)Cl 9625 [2,0,0,0,0,0|2,0,0]=4 78 B9R1.15 C1=CC=C(C(=C1)CN)F 8921 [2,0,0,0,0,0|2,0,0]=4 79 B9R1.15 C1=CC=C(C(=C1)CO)Cl 5137 [2,0,0,0,0,0|2,0,0]=4 80 B9R1.15 C1=CC=C(C(=C1)CO)F 6299 [2,0,0,0,0,0|2,0,0]=4 81 B9R1.15 C1=CC=C(C(=C1)CO)O 10170 [2,0,0,0,0,0|1,0,0]=3 82 B9R1.15 C1=CC=C(C(=C1)CO)O 8851 [2,0,0,0,0,0|1,0,0]=3 83 B9R1.15 CC1=CC=CC=C1CO 6723 [2,0,0,0,0,0|2,0,0]=4 84 B9R1.15 CCC1=CC=CC=C1I 6010 [2,0,0,0,0,0|1,0,0]=3 85 B9R1.15 CCC1=CC=CC=C1S 5060 [2,0,0,0,0,0|0,1,0]=3 86 B9R1.15 COC1=CC=CC=C1Br 6133 [2,0,0,0,0,0|2,0,0]=4 87 B9R1.15 COC1=CC=CC=C1F 6115 [2,0,0,0,0,0|2,0,0]=4 88 B9R1.15 COC1=CC=CC=C1I 9182 [2,0,0,0,0,0|2,0,0]=4 89 B9R1.15 COC1=CC=CC=C1N 6674 [2,0,0,0,0,0|2,0,0]=4 90 B9R1.15 COc1ccccc1Br B0022 [2,0,0,0,0,0|2,0,0]=4 91 B9R1.15 CSC1=CC=CC=C1Br 5058 [2,0,0,0,0,0|2,0,0]=4 92 B9R1.15 CSC1=CC=CC=C1Cl 6157 [2,0,0,0,0,0|2,0,0]=4 93 B9R1.15 CSC1=CC=CC=C1N 8226 [2,0,0,0,0,0|2,0,0]=4 94 B9R1.15 CSC1=CC=CC=C1O 8029 [2,0,0,0,0,0|1,0,0]=3 95 B9R1.15 c1ccc(c(c1)CBr)Cl 8338 [2,0,0,0,0,0|2,0,0]=4 96 B9R1.69 C1=CC(=C(C=C1F)O)Br 6182 [2,0,0,0,0,0|2,0,0]=4 97 B9R1.69 C1=CC(=C(C=C1F)O)N 5456 [2,0,0,0,0,0|2,0,0]=4 98 B9R1.69 CC1=C(C=C(C=C1)Br)Br 8117 [2,0,0,0,0,0|2,0,0]=4 99 B9R1.69 CC1=C(C=C(C=C1)Br)F 5338 [2,0,0,0,0,0|2,0,0]=4 100 B9R1.69 CC1=C(C=C(C=C1)Br)O 8476 [2,0,0,0,0,0|1,0,0]=3 101 B9R1.69 CC1=C(C=C(C=C1)Cl)Br 10285 [2,0,0,0,0,0|2,0,0]=4 102 B9R1.69 CC1=C(C=C(C=C1)Cl)I 8997 [2,0,0,0,0,0|2,0,0]=4 103 B9R1.69 CC1=C(C=C(C=C1)Cl)S 9802 [2,0,0,0,0,0|1,1,0]=4 104 B9R1.69 CC1=C(C=C(C=C1)F)Br 9373 [2,0,0,0,0,0|2,0,0]=4 105 B9R1.69 CC1=C(C=C(C=C1)F)C 6113 [2,0,0,0,0,0|2,0,0]=4 106 B9R1.69 CC1=C(C=C(C=C1)F)N 6050 [2,0,0,0,0,0|2,0,0]=4 107 B9R1.69 CC1=C(C=C(C=C1)N)F 6047 [2,0,0,0,0,0|2,0,0]=4 108 B9R1.69 CC1=C(C=C(C=C1)N)O 10159 [2,0,0,0,0,0|1,0,0]=3 109 B9R1.69 CC1=CC(=C(C=C1)Br)Cl 8156 [2,0,0,0,0,0|2,0,0]=4 110 B9R1.69 CC1=CC(=C(C=C1)Br)F 6101 [2,0,0,0,0,0|2,0,0]=4 111 B9R1.69 CC1=CC(=C(C=C1)C)Br 8829 [2,0,0,0,0,0|1,0,0]=3 112 B9R1.69 CC1=CC(=C(C=C1)C)I 8028 [2,0,0,0,0,0|1,0,0]=3 113 B9R1.69 CC1=CC(=C(C=C1)C)N 5322 [2,0,0,0,0,0|1,0,0]=3 114 B9R1.69 CC1=CC(=C(C=C1)C)O 6763 [2,0,0,0,0,0|0,0,0]=2 115 B9R1.69 CC1=CC(=C(C=C1)Cl)Br 5106 [2,0,0,0,0,0|2,0,0]=4 116 B9R1.69 CC1=CC(=C(C=C1)F)Br 6183 [2,0,0,0,0,0|2,0,0]=4 117 B9R1.69 CC1=CC(=C(C=C1)F)Cl 6423 [2,0,0,0,0,0|2,0,0]=4 118 B9R1.69 CC1=CC(=C(C=C1)F)I 6427 [2,0,0,0,0,0|2,0,0]=4 119 B9R1.69 CC1=CC(=C(C=C1)F)N 6577 [2,0,0,0,0,0|2,0,0]=4 120 B9R1.69 CC1=CC(=C(C=C1)F)O 5573 [2,0,0,0,0,0|1,0,0]=3 121 B9R1.69 CC1=CC(=C(C=C1)I)Br 5051 [2,0,0,0,0,0|2,0,0]=4 122 B9R1.69 CC1=CC(=C(C=C1)I)C 9318 [2,0,0,0,0,0|2,0,0]=4 123 B9R1.69 CC1=CC(=C(C=C1)N)F 6048 [2,0,0,0,0,0|2,0,0]=4 124 B9R1.69 CC1=CC(=C(C=C1)N)N 6659 [2,0,0,0,0,0|2,0,0]=4 125 B9R1.69 CC1=CC(=C(C=C1)O)Cl 10579 [2,0,0,0,0,0|2,0,0]=4 126 B9R1.69 CC1=CC(=C(C=C1)O)N 8098 [2,0,0,0,0,0|2,0,0]=4 127 B9R1.69 Cc1ccc(c(c1)O)N A0481 [2,0,0,0,0,0|1,0,0]=3 128 B11R1.3 CN(C)C1=CC=C(C=C1)CN 9794 [1,1,0,0,0,0|1,0,0]=3 129 B11R1.19 CC(C)(C)C1=CC=C(C=C1)Br 5112 [1,1,0,0,0,0|1,0,0]=3 130 B11R1.19 CC(C)(C)C1=CC=C(C=C1)O 9567 [1,1,0,0,0,0|1,0,0]=3 131 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)C 9927 [1,1,0,0,0,0|2,0,0]=4 132 B11R1.21 CC1=C(C=C(C=C1)C(=O)C)F 8214 [1,1,0,0,0,0|1,0,1]=4 133 B11R1.37 COC1=C(C=C(C=C1)Br)OC 6005 [1,1,0,0,0,0|2,0,0]=4 134 B11R1.37 COC1=C(C=C(C=C1)N)OC 6610 [1,1,0,0,0,0|2,0,0]=4 135 B11R1.278 CC1=C(C(=C(C=C1)OC)F)F 6272 [1,1,0,0,0,0|2,0,0]=4 136 B11R1.279 COC1=C(C=C(C=C1)CBr)F 6494 [1,1,0,0,0,0|2,0,0]=4 137 B11R1.279 COC1=CC(=C(C=C1)OC)Br 5967 [1,1,0,0,0,0|2,0,0]=4 138 B11R1.279 COC1=CC(=C(C=C1)OC)N 8812 [1,1,0,0,0,0|2,0,0]=4 139 B11R1.53 CC(C1=CC=CC=C1OC)O 9994 [1,1,0,0,0,0|1,0,0]=3 140 B11R1.87 C1=CC=C(C(=C1)C(F)(F)F)O 6020 [1,1,0,0,0,0|2,0,0]=4 141 B11R1.156 CC(=O)C1=C(C=CC=C1O)O 6860 [1,1,0,0,0,0|1,0,1]=4 142 B11R1.159 CC(=O)C1=C(C(=CC=C1)N)O 6667 [1,1,0,0,0,0|1,0,1]=4 143 B11R1.167 CC(=O)C1=C(C=CC(=C1)O)O 10507 [1,1,0,0,0,0|1,0,1]=4 144 B11R2.36 C1OC2=C(O1)C=C(C=C2)N 9966 [1,0,0,1,0,0|2,0,0]=4 145 B11R1.20 CC(C)OC1=CC=C(C=C1)Br 8626 [1,0,0,0,0,1|1,0,0]=3 146 B11R1.20 CC(C)OC1=CC=C(C=C1)N 9611 [1,0,0,0,0,1|1,0,0]=3