0 B11R1.3 C=C(C)C1=CC=C(OC)C=C1 20531 [0,0,0,0,0,0|2,0,2]=4 1 B11R1.3 C=CC1=CC=C(B(O)O)C=C1 26297 [0,0,0,0,0,0|4,0,0]=4 2 B11R1.3 C=CC1=CC=C(C(=O)O)C=C1 12624 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.3 CC(=O)C1=CC=C(C#N)C=C1 3305 [0,0,0,0,0,0|2,0,2]=4 4 B11R1.3 CC(=O)C1=CC=C(C=O)C=C1 23568 [0,0,0,0,0,0|1,0,1]=2 5 B11R1.3 CC(=O)C1=CC=C(CBr)C=C1 31192 [0,0,0,0,0,0|2,0,2]=4 6 B11R1.3 CC(=O)C1=CC=C(CO)C=C1 31334 [0,0,0,0,0,0|1,0,3]=4 7 B11R1.3 CC(C)C1=CC=C(NN)C=C1 7533 [0,0,0,0,0,0|2,0,0]=2 8 B11R1.3 CCC1=CC=C(C(C)=O)C=C1 15495 [0,0,0,0,0,0|2,0,2]=4 9 B11R1.3 CN(C)C1=CC=C(C=O)C=C1 8085 [0,0,0,0,0,0|1,0,0]=1 10 B11R1.3 CN(C)C1=CC=C(CO)C=C1 36061 [0,0,0,0,0,0|1,0,2]=3 11 B11R1.3 CN(C)C1=CC=[N+](C#N)C=C1 17735 [0,0,0,0,0,0|3,0,1]=4 12 B11R1.3 CN(C)C1=NC=C(CN)C=C1 34770 [0,0,0,0,0,0|3,0,1]=4 13 B11R1.3 COC1=CC=C(C(C)=O)C=C1 3324 [0,0,0,0,0,0|3,0,1]=4 14 B11R1.3 COC1=CC=C(N(C)C)C=C1 16956 [0,0,0,0,0,0|3,0,0]=3 15 B11R1.3 COc1ccc([C@@H](C)N)cc1 9920 [0,0,0,0,0,0|3,0,0]=3 16 B11R1.3 COc1ccc([C@H](C)N)cc1 9919 [0,0,0,0,0,0|3,0,0]=3 17 B11R1.3 CSC1=CC=C(C(C)=O)C=C1 3333 [0,0,0,0,0,0|3,0,1]=4 18 B11R1.3 ClCC1=CC=C(C(Cl)Cl)C=C1 31325 [0,0,0,0,0,0|3,0,1]=4 19 B11R1.3 O=CC1=CC=C(B(O)O)C=C1 1720 [0,0,0,0,0,0|3,0,0]=3 20 B11R1.3 O=CC1=CC=C(C(=O)O)C=C1 8075 [0,0,0,0,0,0|2,0,1]=3 21 B11R1.3 O=CC1=CC=C([N+](=O)[O-])C=C1 8163 [0,0,0,0,0,0|3,0,0]=3 22 B11R1.3 O=CC1=NC=C(B(O)O)C=C1 2089 [0,0,0,0,0,0|4,0,0]=4 23 B11R1.3 [C-]#[N+]C1=CC=C([C@@H](C)O)C=C1 14238 [0,0,0,0,0,0|3,0,0]=3 24 B11R1.3 [C-]#[N+]C1=CC=C([C@H](C)O)C=C1 14243 [0,0,0,0,0,0|3,0,0]=3 25 B10R1.3 BrCC1=CC=C(CBr)C=C1 10202 [1,0,0,0,0,0|2,0,1]=4 26 B10R1.3 C#CC1=CC=C(CC)C=C1 10925 [1,0,0,0,0,0|1,0,1]=3 27 B10R1.3 C=CC1=CC=C(CCl)C=C1 25812 [1,0,0,0,0,0|2,0,0]=3 28 B10R1.3 C=CC1=NC=C(CC)C=C1 19454 [1,0,0,0,0,0|2,0,0]=3 29 B10R1.3 CCC1=CC=C(C=O)C=C1 3072 [1,0,0,0,0,0|0,0,0]=1 30 B10R1.3 CCC1=CC=C(CCl)C=C1 4921 [1,0,0,0,0,0|1,0,1]=3 31 B10R1.3 CCC1=CC=C(OC)C=C1 25322 [1,0,0,0,0,0|2,0,0]=3 32 B10R1.3 CCC1=NC=C(C=O)C=N1 21490 [1,0,0,0,0,0|2,0,0]=3 33 B10R1.3 CCc1ccc(CCl)cc1 36258 [1,0,0,0,0,0|1,0,1]=3 34 B10R1.3 CNC1=CC=C(C#N)C=C1 4815 [1,0,0,0,0,0|2,0,1]=4 35 B10R1.3 CNC1=CC=C(OC)C=C1 25931 [1,0,0,0,0,0|3,0,0]=4 36 B10R1.3 COC1=CC=C(C#N)C=C1 8162 [1,0,0,0,0,0|2,0,1]=4 37 B10R1.3 COC1=CC=C(C=O)C=C1 22535 [1,0,0,0,0,0|1,0,0]=2 38 B10R1.3 COC1=CC=C(C=O)C=N1 5152 [1,0,0,0,0,0|2,0,0]=3 39 B10R1.3 COC1=CC=C(CBr)C=C1 15882 [1,0,0,0,0,0|2,0,1]=4 40 B10R1.3 COC1=CC=C(CCl)C=C1 18654 [1,0,0,0,0,0|2,0,1]=4 41 B10R1.3 COC1=CC=C(CN)C=C1 4428 [1,0,0,0,0,0|2,0,1]=4 42 B10R1.3 COC1=CC=C(CO)C=C1 19100 [1,0,0,0,0,0|1,0,2]=4 43 B10R1.3 COC1=CC=C(CS)C=C1 6839 [1,0,0,0,0,0|1,1,1]=4 44 B10R1.3 COC1=CC=C(NN)C=C1 4498 [1,0,0,0,0,0|3,0,0]=4 45 B10R1.3 COC1=CC=C(SC)C=C1 10655 [1,0,0,0,0,0|3,0,0]=4 46 B10R1.3 COC1=CN=C(C=O)C=C1 24092 [1,0,0,0,0,0|2,0,0]=3 47 B10R1.3 COC1=NC=C(C=O)C=N1 5296 [1,0,0,0,0,0|3,0,0]=4 48 B10R1.3 CSC1=CC=C(C#N)C=C1 10528 [1,0,0,0,0,0|2,0,1]=4 49 B10R1.3 CSC1=CC=C(C=O)C=C1 10796 [1,0,0,0,0,0|1,0,0]=2 50 B10R1.3 CSC1=CC=C(CCl)C=C1 10530 [1,0,0,0,0,0|2,0,1]=4 51 B10R1.3 CSC1=CC=C(CN)C=C1 27539 [1,0,0,0,0,0|2,0,1]=4 52 B10R1.3 CSC1=CC=C(CO)C=C1 7470 [1,0,0,0,0,0|1,0,2]=4 53 B10R1.3 CSC1=NC=C(C=O)C=N1 21491 [1,0,0,0,0,0|3,0,0]=4 54 B10R1.3 ClCC1=CC=C(CCl)C=C1 10211 [1,0,0,0,0,0|2,0,1]=4 55 B10R1.3 N#CC1=CC=C(C=O)C=C1 3118 [1,0,0,0,0,0|1,0,1]=3 56 B10R1.3 N#CC1=CC=C(CBr)C=C1 7495 [1,0,0,0,0,0|2,0,1]=4 57 B10R1.3 N#CC1=CC=C(CCl)C=C1 7377 [1,0,0,0,0,0|2,0,1]=4 58 B10R1.3 N#CC1=CC=C(CN)C=C1 2057 [1,0,0,0,0,0|2,0,1]=4 59 B10R1.3 N#CC1=CC=C(CN)C=C1 9986 [1,0,0,0,0,0|2,0,1]=4 60 B10R1.3 N#CC1=CN=C(C=O)C=C1 33545 [1,0,0,0,0,0|2,0,1]=4 61 B10R1.3 N#CC1=NC=C(C=O)C=C1 33552 [1,0,0,0,0,0|2,0,1]=4 62 B10R1.3 N#Cc1ccc(CO)cc1 31292 [1,0,0,0,0,0|2,0,1]=4 63 B10R1.3 O=CC1=CC=C(C=O)C=C1 35665 [1,0,0,0,0,0|1,0,1]=3 64 B10R1.3 O=CC1=CC=C(CBr)C=C1 19839 [1,0,0,0,0,0|1,0,0]=2 65 B10R1.3 O=CC1=CC=C(CCl)C=C1 30942 [1,0,0,0,0,0|1,0,0]=2 66 B10R1.3 OCC1=CC=C(CBr)C=C1 27440 [1,0,0,0,0,0|1,0,2]=4 67 B10R1.3 SCc1ccc(CS)cc1 6840 [1,0,0,0,0,0|1,1,1]=4 68 B10R1.13 C=C(C)C1=CC=C(O)C=C1 27834 [1,0,0,0,0,0|0,0,3]=4 69 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 3294 [1,0,0,0,0,0|2,0,1]=4 70 B10R1.13 CC(=O)C1=CC=C(C)C=C1 3326 [1,0,0,0,0,0|1,0,2]=4 71 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 3297 [1,0,0,0,0,0|2,0,1]=4 72 B10R1.13 CC(=O)C1=CC=C(F)C=C1 10587 [1,0,0,0,0,0|2,0,1]=4 73 B10R1.13 CC(=O)C1=CC=C(I)C=C1 3323 [1,0,0,0,0,0|2,0,1]=4 74 B10R1.13 CC(=O)C1=CC=C(N)C=C1 3288 [1,0,0,0,0,0|2,0,1]=4 75 B10R1.13 CC(=O)C1=CC=C(O)C=C1 3311 [1,0,0,0,0,0|1,0,2]=4 76 B10R1.13 CC(C)C1=CC=C(Br)C=C1 18676 [1,0,0,0,0,0|1,0,0]=2 77 B10R1.13 CC(C)C1=CC=C(I)C=C1 3975 [1,0,0,0,0,0|1,0,0]=2 78 B10R1.13 CC(C)C1=CC=C(N)C=N1 19458 [1,0,0,0,0,0|2,0,0]=3 79 B10R1.13 CC(C)C1=CC=C(S)C=C1 6814 [1,0,0,0,0,0|0,1,0]=2 80 B10R1.13 CC(C)C1=NC=C(Br)C=N1 27971 [1,0,0,0,0,0|3,0,0]=4 81 B10R1.13 CC(N)C1=CC=C(Cl)C=C1 27544 [1,0,0,0,0,0|2,0,0]=3 82 B10R1.13 CC(N)C1=CC=C(F)C=C1 3425 [1,0,0,0,0,0|2,0,0]=3 83 B10R1.13 CC(O)C1=CC=C(Br)C=C1 12552 [1,0,0,0,0,0|2,0,0]=3 84 B10R1.13 CC1=CC=C(N(C)C)C=C1 21347 [1,0,0,0,0,0|1,0,1]=3 85 B10R1.13 CC1=CC=C([C@H](C)O)C=C1 15589 [1,0,0,0,0,0|1,0,1]=3 86 B10R1.13 CN(C)C1=CC=C(Br)C=C1 2230 [1,0,0,0,0,0|2,0,0]=3 87 B10R1.13 CN(C)C1=CC=C(Br)N=C1 33778 [1,0,0,0,0,0|3,0,0]=4 88 B10R1.13 CN(C)C1=CC=C(Cl)C=C1 5271 [1,0,0,0,0,0|2,0,0]=3 89 B10R1.13 CN(C)C1=CC=C(F)C=C1 3365 [1,0,0,0,0,0|2,0,0]=3 90 B10R1.13 CN(C)C1=CC=C(O)C=C1 27800 [1,0,0,0,0,0|1,0,1]=3 91 B10R1.13 CN(C)C1=NC=C(Br)C=C1 5051 [1,0,0,0,0,0|3,0,0]=4 92 B10R1.13 CN(C)C1=NC=C(N)C=C1 15373 [1,0,0,0,0,0|3,0,0]=4 93 B10R1.13 CN(C)c1ccc(N)cc1 21651 [1,0,0,0,0,0|2,0,0]=3 94 B10R1.13 C[C@@H](N)C1=CC=C(Cl)C=C1 15222 [1,0,0,0,0,0|2,0,0]=3 95 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 15219 [1,0,0,0,0,0|2,0,0]=3 96 B10R1.13 C[C@@H](N)C1=CC=C(O)C=C1 2454 [1,0,0,0,0,0|1,0,1]=3 97 B10R1.13 C[C@@H](N)c1ccc(Br)cc1 14234 [1,0,0,0,0,0|2,0,0]=3 98 B10R1.13 C[C@@H](O)C1=CC=C(Br)C=C1 14252 [1,0,0,0,0,0|2,0,0]=3 99 B10R1.13 C[C@@H](O)C1=CC=C(Cl)C=C1 14249 [1,0,0,0,0,0|2,0,0]=3 100 B10R1.13 C[C@@H](O)C1=CC=C(F)C=C1 14245 [1,0,0,0,0,0|2,0,0]=3 101 B10R1.13 C[C@H](N)C1=CC=C(Cl)C=C1 15221 [1,0,0,0,0,0|2,0,0]=3 102 B10R1.13 C[C@H](N)C1=CC=C(F)C=C1 15218 [1,0,0,0,0,0|2,0,0]=3 103 B10R1.13 C[C@H](N)c1ccc(Br)cc1 5736 [1,0,0,0,0,0|2,0,0]=3 104 B10R1.13 C[C@H](O)C1=CC=C(Br)C=C1 14253 [1,0,0,0,0,0|2,0,0]=3 105 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 14251 [1,0,0,0,0,0|2,0,0]=3 106 B10R1.13 C[C@H](O)C1=CC=C(F)C=C1 14247 [1,0,0,0,0,0|2,0,0]=3 107 B10R1.13 Cc1ccc(C(Cl)Cl)cc1 10212 [1,0,0,0,0,0|2,0,1]=4 108 B10R1.13 Cc1ccc([C@@H](C)N)cc1 8021 [1,0,0,0,0,0|1,0,1]=3 109 B10R1.13 FC(F)C1=CC=C(Br)C=C1 23296 [1,0,0,0,0,0|3,0,0]=4 110 B10R1.13 NC1=CC=C(C(F)F)C=C1 23828 [1,0,0,0,0,0|3,0,0]=4 111 B10R1.13 OC1=CC=C(C(F)F)C=C1 19704 [1,0,0,0,0,0|2,0,1]=4 112 B12R1.5 COC(=O)C1=CC=C(C=O)C=C1 17488 [0,1,0,0,0,0|1,0,1]=3 113 B12R1.5 COC1=CC=C([C@H](O)CN)C=C1 19377 [0,1,0,0,0,0|3,0,0]=4 114 B12R1.6 C=CC1=CC=C(C(F)(F)F)C=C1 15485 [0,1,0,0,0,0|3,0,0]=4 115 B12R1.6 CC(C)(C)C1=CC=C(CBr)C=C1 4892 [0,1,0,0,0,0|1,0,1]=3 116 B12R1.6 CC(C)(C)C1=CC=C(CCl)C=C1 36097 [0,1,0,0,0,0|1,0,1]=3 117 B12R1.6 CC(C)(C)C1=CC=C(CN)C=C1 4711 [0,1,0,0,0,0|1,0,1]=3 118 B12R1.6 CC(C)(C)C1=CC=C(NN)C=C1 7625 [0,1,0,0,0,0|2,0,0]=3 119 B12R1.6 COC1=CC=C(C(C)(C)C)C=C1 35317 [0,1,0,0,0,0|2,0,0]=3 120 B12R1.6 COC1=CC=C(C(C)(C)O)C=C1 24425 [0,1,0,0,0,0|2,0,0]=3 121 B12R1.6 CS(=O)(=O)C1=CC=C(C=O)C=C1 8151 [0,1,0,0,0,0|2,0,0]=3 122 B12R1.6 CS(=O)(=O)C1=NC=C(C=O)C=C1 34551 [0,1,0,0,0,0|3,0,0]=4 123 B12R1.6 O=CC1=CC=C(C(F)(F)F)C=C1 1474 [0,1,0,0,0,0|2,0,0]=3 124 B12R1.6 O=CC1=CC=C(C(F)(F)F)N=C1 15866 [0,1,0,0,0,0|3,0,0]=4 125 B12R1.6 O=CC1=CC=C([B-](F)(F)F)C=C1 11346 [0,1,0,0,0,0|3,0,0]=4 126 B12R1.48 CC1=C(C=O)C=CC(C(=O)O)=C1 30642 [0,1,0,0,0,0|2,0,1]=4 127 B12R1.48 CC1=C(C=O)C=CC([N+](=O)[O-])=C1 30963 [0,1,0,0,0,0|3,0,0]=4 128 B12R1.48 COC1=C(Cl)C=C([C@H](C)O)C=C1 15581 [0,1,0,0,0,0|3,0,0]=4 129 B12R1.48 O=CC1=C(Br)C=C(C(=O)O)C=C1 27612 [0,1,0,0,0,0|2,0,1]=4 130 B12R1.48 O=CC1=C(Cl)C=C(C(=O)O)C=C1 30603 [0,1,0,0,0,0|2,0,1]=4 131 B12R1.48 O=CC1=C(F)C=C(B(O)O)C=C1 1847 [0,1,0,0,0,0|3,0,0]=4 132 B12R1.48 O=CC1=C(F)C=C(C(=O)O)C=C1 30604 [0,1,0,0,0,0|2,0,1]=4 133 B12R1.48 O=CC1=C(F)C=C([N+](=O)[O-])C=C1 17013 [0,1,0,0,0,0|3,0,0]=4 134 B12R1.48 O=CC1=CC=C([N+](=O)[O-])C=C1O 8164 [0,1,0,0,0,0|3,0,0]=4 135 B12R1.113 CC(C)C1=CC=C(CC#N)C=C1 17248 [0,1,0,0,0,0|1,0,1]=3 136 B12R1.256 CC(=O)C1=CC=C(B(O)O)C=C1 1734 [0,1,0,0,0,0|3,0,0]=4 137 B12R1.256 CC(=O)C1=CC=C(C(=O)O)C=C1 3129 [0,1,0,0,0,0|1,0,1]=3 138 B12R1.256 CC(=O)C1=CC=C(C(C)=O)C=C1 3143 [0,1,0,0,0,0|1,0,1]=3 139 B12R1.256 CC(=O)C1=CC=C(N(C)C)C=C1 25951 [0,1,0,0,0,0|1,0,0]=2 140 B12R1.256 CC(C)C1=CC=C(B(O)O)C=C1 1860 [0,1,0,0,0,0|1,0,1]=3 141 B12R1.256 CC(C)C1=CC=C(C(=O)O)C=C1 20027 [0,1,0,0,0,0|0,0,0]=1 142 B12R1.256 CC(C)C1=CN=C(C(=O)O)C=C1 33667 [0,1,0,0,0,0|1,0,0]=2 143 B12R1.256 CC(C)C1=NC=C([N+](=O)[O-])C=C1 25831 [0,1,0,0,0,0|2,0,0]=3 144 B12R1.256 CN(C)C1=CC=C(B(O)O)C=C1 1829 [0,1,0,0,0,0|2,0,1]=4 145 B12R1.256 CN(C)C1=CC=C(N(C)C)C=C1 35746 [0,1,0,0,0,0|3,0,0]=4 146 B12R1.256 CS(=O)C1=CC=C(C(=O)O)C=C1 15338 [0,1,0,0,0,0|2,0,0]=3 147 B12R1.256 C[C@H](N)C1=CC=C([N+](=O)[O-])C=C1 23250 [0,1,0,0,0,0|2,0,0]=3 148 B12R1.256 C[C@H](N)c1ccc([N+](=O)[O-])cc1 7975 [0,1,0,0,0,0|2,0,0]=3 149 B12R1.256 NC(=O)C1=CC=C(B(O)O)C=C1 13398 [0,1,0,0,0,0|3,0,0]=4 150 B12R1.256 NC(=O)C1=CC=C([N+](=O)[O-])C=C1 13419 [0,1,0,0,0,0|3,0,0]=4 151 B12R1.256 O=C(Cl)C1=CC=C(B(O)O)C=C1 9545 [0,1,0,0,0,0|3,0,0]=4 152 B12R1.256 O=C(Cl)C1=CC=C(C(=O)Cl)C=C1 26658 [0,1,0,0,0,0|2,0,1]=4 153 B12R1.256 O=C(Cl)C1=CC=C([N+](=O)[O-])C=C1 22042 [0,1,0,0,0,0|3,0,0]=4 154 B12R1.256 O=C(O)C1=CC=C(B(O)O)C=C1 1772 [0,1,0,0,0,0|3,0,0]=4 155 B12R1.256 O=C(O)C1=CC=C(C(=O)O)C=C1 26269 [0,1,0,0,0,0|2,0,1]=4 156 B12R1.256 O=C(O)C1=CC=C([N+](=O)[O-])C=C1 15437 [0,1,0,0,0,0|3,0,0]=4 157 B12R1.452 CC1=C(B(O)O)C=CC(C=O)=C1 32199 [0,1,0,0,0,0|3,0,0]=4 158 B12R1.452 CC1=C([N+](=O)[O-])C=CC(C=O)=C1 17018 [0,1,0,0,0,0|3,0,0]=4 159 B12R1.452 CN(C)C1=C(Cl)C=C([N+]#N)C=C1 3519 [0,1,0,0,0,0|3,0,0]=4 160 B12R1.452 CN(C)C1=C(F)C=C(C#N)C=C1 28116 [0,1,0,0,0,0|2,0,1]=4 161 B12R1.452 O=CC1=CC(Br)=C([N+](=O)[O-])C=C1 4173 [0,1,0,0,0,0|3,0,0]=4 162 B12R1.452 O=CC1=CC(F)=C(B(O)O)C=C1 29581 [0,1,0,0,0,0|3,0,0]=4 163 B12R1.452 O=CC1=CC(F)=C([N+](=O)[O-])C=C1 25746 [0,1,0,0,0,0|3,0,0]=4 164 B12R1.4 C=CC1=CC=C(OC(C)=O)C=C1 16000 [0,0,0,0,0,1|2,0,1]=4 165 B12R1.4 CC(=O)Nc1ccc(C=O)cc1 7786 [0,0,0,0,0,1|1,0,1]=3 166 B12R1.4 CC(C)OC1=CC=C(C=O)C=C1 9651 [0,0,0,0,0,1|0,0,0]=1 167 B12R1.4 CC(C)OC1=NC=C(C=O)C=C1 17142 [0,0,0,0,0,1|1,0,0]=2 168 B12R1.4 COC1=CC=C(C[C@@H](C)N)C=C1 36095 [0,0,0,0,0,1|3,0,0]=4 169 B12R1.4 O=CC1=CC=C(OC(F)F)C=C1 7137 [0,0,0,0,0,1|2,0,0]=3 170 B9R1.1 BrCC1=CC=C(Br)C=C1 7460 [2,0,0,0,0,0|2,0,0]=4 171 B9R1.1 BrCC1=CC=C(I)C=C1 3557 [2,0,0,0,0,0|2,0,0]=4 172 B9R1.1 C#CC1=CC=C(C)C=C1 10922 [2,0,0,0,0,0|1,0,1]=4 173 B9R1.1 C=CC1=CC=C(Cl)C=C1 12659 [2,0,0,0,0,0|2,0,0]=4 174 B9R1.1 C=CC1=CC=C(N)C=C1 12625 [2,0,0,0,0,0|2,0,0]=4 175 B9R1.1 C=CC1=CN=C(C)C=C1 15153 [2,0,0,0,0,0|2,0,0]=4 176 B9R1.1 CC1=CC=C(C#N)C=C1 8168 [2,0,0,0,0,0|1,0,1]=4 177 B9R1.1 CC1=CC=C(C=O)C=C1 15497 [2,0,0,0,0,0|0,0,0]=2 178 B9R1.1 CC1=CC=C(CN)C=C1 10199 [2,0,0,0,0,0|1,0,1]=4 179 B9R1.1 CC1=CC=C(NN)C=C1 4500 [2,0,0,0,0,0|2,0,0]=4 180 B9R1.1 CC1=CN=C(C=O)C=C1 17169 [2,0,0,0,0,0|1,0,0]=3 181 B9R1.1 CC1=CN=C(C=O)C=N1 32176 [2,0,0,0,0,0|2,0,0]=4 182 B9R1.1 CC1=NC=C(C=O)C=C1 19463 [2,0,0,0,0,0|1,0,0]=3 183 B9R1.1 CCC1=CC=C(Br)C=C1 3772 [2,0,0,0,0,0|1,0,0]=3 184 B9R1.1 CCC1=CC=C(C)C=C1 21843 [2,0,0,0,0,0|0,0,1]=3 185 B9R1.1 CCC1=CC=C(I)C=C1 3877 [2,0,0,0,0,0|1,0,0]=3 186 B9R1.1 CCC1=CC=C(N)C=C1 26342 [2,0,0,0,0,0|1,0,0]=3 187 B9R1.1 CCC1=CC=C(O)C=C1 3874 [2,0,0,0,0,0|0,0,1]=3 188 B9R1.1 CCC1=CC=C(S)C=C1 6813 [2,0,0,0,0,0|0,1,0]=3 189 B9R1.1 CCC1=CN=C(C)C=C1 10482 [2,0,0,0,0,0|1,0,1]=4 190 B9R1.1 CCC1=CN=C(C)C=C1 18256 [2,0,0,0,0,0|1,0,1]=4 191 B9R1.1 CCC1=NC=C(Br)C=C1 16886 [2,0,0,0,0,0|2,0,0]=4 192 B9R1.1 CCC1=NC=C(N)C=C1 25855 [2,0,0,0,0,0|2,0,0]=4 193 B9R1.1 CCc1ccc(F)cc1 22752 [2,0,0,0,0,0|1,0,0]=3 194 B9R1.1 CNC1=CC=C(Cl)C=C1 23344 [2,0,0,0,0,0|2,0,0]=4 195 B9R1.1 CNC1=CC=C(I)C=C1 28328 [2,0,0,0,0,0|2,0,0]=4 196 B9R1.1 COC1=CC=C(Br)C=C1 3726 [2,0,0,0,0,0|2,0,0]=4 197 B9R1.1 COC1=CC=C(Cl)C=C1 3616 [2,0,0,0,0,0|2,0,0]=4 198 B9R1.1 COC1=CC=C(F)C=C1 3475 [2,0,0,0,0,0|2,0,0]=4 199 B9R1.1 COC1=CC=C(I)C=C1 3911 [2,0,0,0,0,0|2,0,0]=4 200 B9R1.1 COC1=CC=C(N)C=C1 21392 [2,0,0,0,0,0|2,0,0]=4 201 B9R1.1 COC1=CC=C(N)C=C1 36098 [2,0,0,0,0,0|2,0,0]=4 202 B9R1.1 COC1=CC=C(O)C=C1 14584 [2,0,0,0,0,0|1,0,1]=4 203 B9R1.1 COC1=CC=C(O)C=C1 2276 [2,0,0,0,0,0|1,0,1]=4 204 B9R1.1 COC1=CC=C(S)C=C1 6822 [2,0,0,0,0,0|1,1,0]=4 205 B9R1.1 CSC1=CC=C(Br)C=C1 10650 [2,0,0,0,0,0|2,0,0]=4 206 B9R1.1 CSC1=CC=C(C)C=C1 10672 [2,0,0,0,0,0|1,0,1]=4 207 B9R1.1 CSC1=CC=C(Cl)C=C1 10645 [2,0,0,0,0,0|2,0,0]=4 208 B9R1.1 CSC1=CC=C(F)C=C1 10641 [2,0,0,0,0,0|2,0,0]=4 209 B9R1.1 CSC1=CC=C(I)C=C1 10670 [2,0,0,0,0,0|2,0,0]=4 210 B9R1.1 CSC1=CC=C(N)C=C1 10636 [2,0,0,0,0,0|2,0,0]=4 211 B9R1.1 CSC1=CC=C(O)C=C1 15277 [2,0,0,0,0,0|1,0,1]=4 212 B9R1.1 CSC1=CC=C(S)C=C1 6825 [2,0,0,0,0,0|1,1,0]=4 213 B9R1.1 ClC1=CC=C(CBr)C=C1 36109 [2,0,0,0,0,0|2,0,0]=4 214 B9R1.1 ClCC1=CC=C(Br)C=C1 2478 [2,0,0,0,0,0|2,0,0]=4 215 B9R1.1 ClCC1=CC=C(Cl)C=C1 5797 [2,0,0,0,0,0|2,0,0]=4 216 B9R1.1 FC1=CC=C(CBr)C=C1 7354 [2,0,0,0,0,0|2,0,0]=4 217 B9R1.1 FC1=CC=C(CCl)C=C1 8864 [2,0,0,0,0,0|2,0,0]=4 218 B9R1.1 FC1=CC=C(CS)C=C1 6855 [2,0,0,0,0,0|2,0,0]=4 219 B9R1.1 NC1=CC=C(C=O)C=C1 7795 [2,0,0,0,0,0|1,0,0]=3 220 B9R1.1 NC1=CC=C(CBr)C=C1 26393 [2,0,0,0,0,0|2,0,0]=4 221 B9R1.1 NC1=CC=C(CO)C=C1 7480 [2,0,0,0,0,0|2,0,0]=4 222 B9R1.1 NCC1=CC=C(Br)C=C1 23806 [2,0,0,0,0,0|2,0,0]=4 223 B9R1.1 NCC1=CC=C(Br)C=C1 3751 [2,0,0,0,0,0|2,0,0]=4 224 B9R1.1 NCC1=CC=C(Cl)C=C1 9028 [2,0,0,0,0,0|2,0,0]=4 225 B9R1.1 NCC1=CC=C(F)C=C1 3408 [2,0,0,0,0,0|2,0,0]=4 226 B9R1.1 NCC1=CC=C(F)C=C1 4420 [2,0,0,0,0,0|2,0,0]=4 227 B9R1.1 NCC1=CC=C(I)C=C1 3304 [2,0,0,0,0,0|2,0,0]=4 228 B9R1.1 NCC1=CC=C(N)C=C1 5803 [2,0,0,0,0,0|2,0,0]=4 229 B9R1.1 NCC1=CC=C(O)C=C1 26036 [2,0,0,0,0,0|1,0,1]=4 230 B9R1.1 NCC1=CNC(=O)C=C1 19427 [2,0,0,0,0,0|2,0,0]=4 231 B9R1.1 O=CC1=CC=C(Br)C=C1 8053 [2,0,0,0,0,0|1,0,0]=3 232 B9R1.1 O=CC1=CC=C(Cl)C=C1 8078 [2,0,0,0,0,0|1,0,0]=3 233 B9R1.1 O=CC1=CC=C(Cl)N=C1 23354 [2,0,0,0,0,0|2,0,0]=4 234 B9R1.1 O=CC1=CC=C(F)C=C1 3478 [2,0,0,0,0,0|1,0,0]=3 235 B9R1.1 O=CC1=CC=C(I)C=C1 5349 [2,0,0,0,0,0|1,0,0]=3 236 B9R1.1 O=CC1=CC=C(O)C=C1 10188 [2,0,0,0,0,0|1,0,0]=3 237 B9R1.1 O=CC1=CN=C(Br)C=C1 1181 [2,0,0,0,0,0|2,0,0]=4 238 B9R1.1 O=CC1=CN=C(Cl)C=C1 9221 [2,0,0,0,0,0|2,0,0]=4 239 B9R1.1 O=CC1=CN=C(F)C=C1 5150 [2,0,0,0,0,0|2,0,0]=4 240 B9R1.1 O=CC1=CN=C(O)C=C1 17127 [2,0,0,0,0,0|2,0,0]=4 241 B9R1.1 O=CC1=NC=C(Br)C=C1 5059 [2,0,0,0,0,0|2,0,0]=4 242 B9R1.1 O=CC1=NC=C(Cl)C=C1 17153 [2,0,0,0,0,0|2,0,0]=4 243 B9R1.1 O=CC1=NC=C(F)C=C1 5149 [2,0,0,0,0,0|2,0,0]=4 244 B9R1.1 O=CC1=NC=C(O)C=C1 33708 [2,0,0,0,0,0|2,0,0]=4 245 B9R1.1 OCC1=CC=C(Br)C=C1 3748 [2,0,0,0,0,0|2,0,0]=4 246 B9R1.1 OCC1=CC=C(Cl)C=C1 3627 [2,0,0,0,0,0|2,0,0]=4 247 B9R1.1 OCC1=CC=C(F)C=C1 3487 [2,0,0,0,0,0|2,0,0]=4 248 B9R1.1 OCC1=CC=C(I)C=C1 4081 [2,0,0,0,0,0|2,0,0]=4 249 B9R1.1 OCC1=CC=C(O)C=C1 29320 [2,0,0,0,0,0|1,0,1]=4 250 B9R1.1 OCC1=CC=C(S)C=C1 6879 [2,0,0,0,0,0|1,1,0]=4 251 B9R1.1 SCC1=CC=C(Br)C=C1 6868 [2,0,0,0,0,0|2,0,0]=4 252 B9R1.1 SCC1=CC=C(Cl)C=C1 6838 [2,0,0,0,0,0|2,0,0]=4 253 B9R1.6 CC(Cl)C1=CC=CC=C1 10204 [2,0,0,0,0,0|1,0,0]=3 254 B9R1.6 CC(N)C1=CC=CC=C1 21079 [2,0,0,0,0,0|1,0,0]=3 255 B9R1.6 CN(C)C1=CC=NC=C1 2377 [2,0,0,0,0,0|2,0,0]=4 256 B9R1.6 CN(C)C1=NC=CC=C1 14996 [2,0,0,0,0,0|2,0,0]=4 257 B9R1.6 CP(C)C1=CC=CC=C1 6420 [2,0,0,0,0,0|1,0,0]=3 258 B9R1.6 C[C@@H](N)c1ccccc1 6026 [2,0,0,0,0,0|1,0,0]=3 259 B9R1.6 C[C@@H](N)c1ccccc1 6060 [2,0,0,0,0,0|1,0,0]=3 260 B9R1.6 C[C@@H](N)c1ccccc1 9918 [2,0,0,0,0,0|1,0,0]=3 261 B9R1.6 C[C@@H](O)C1=CC=CN=C1 27201 [2,0,0,0,0,0|2,0,0]=4 262 B9R1.6 C[C@@H](O)C1=NC=CC=C1 5699 [2,0,0,0,0,0|2,0,0]=4 263 B9R1.6 C[C@@H](O)c1ccccc1 6851 [2,0,0,0,0,0|1,0,0]=3 264 B9R1.6 C[C@H](N)c1ccccc1 6025 [2,0,0,0,0,0|1,0,0]=3 265 B9R1.6 C[C@H](N)c1ccccc1 6061 [2,0,0,0,0,0|1,0,0]=3 266 B9R1.6 C[C@H](O)C1=NC=CC=C1 5701 [2,0,0,0,0,0|2,0,0]=4 267 B9R1.6 C[C@H](O)c1ccccc1 6858 [2,0,0,0,0,0|1,0,0]=3 268 B9R1.6 FC(Cl)C1=CC=CC=C1 15923 [2,0,0,0,0,0|2,0,0]=4 269 B11R1.83 C#CC1=CC=C(CCC)C=C1 10973 [1,1,0,0,0,0|1,0,1]=4 270 B11R1.83 CCOC1=CC=C(C=O)C=C1 13134 [1,1,0,0,0,0|0,0,0]=2 271 B11R1.83 CCOC1=CC=C(CC)C=C1 3172 [1,1,0,0,0,0|1,0,1]=4 272 B11R1.83 CCOC1=CC=C(CCl)C=C1 17445 [1,1,0,0,0,0|1,0,1]=4 273 B11R1.83 CCOC1=CC=C(CO)C=C1 27464 [1,1,0,0,0,0|0,0,2]=4 274 B11R1.83 CNCC1=CC=C(OC)C=C1 10499 [1,1,0,0,0,0|2,0,0]=4 275 B11R1.83 COC1=CC=C(CC=O)C=C1 25207 [1,1,0,0,0,0|1,0,0]=3 276 B11R1.83 COC1=CC=C(CCN)C=C1 4589 [1,1,0,0,0,0|2,0,0]=4 277 B11R1.83 COC1=CC=C(N=C=O)C=C1 1920 [1,1,0,0,0,0|1,0,1]=4 278 B11R1.83 C\C=C\C1=CC=C(OC)C=C1 35689 [1,1,0,0,0,0|2,0,0]=4 279 B11R1.83 N#CC1=CC=C(CCN)C=C1 31896 [1,1,0,0,0,0|1,0,1]=4 280 B11R1.83 N#CC1=CC=C(CCN)C=C1 31898 [1,1,0,0,0,0|1,0,1]=4 281 B11R1.279 CC1=C(C#N)C=CC(C=O)=C1 30973 [1,1,0,0,0,0|1,0,1]=4 282 B11R1.279 COC1=C(Br)C=C(C=O)C=C1 2643 [1,1,0,0,0,0|1,0,0]=3 283 B11R1.279 COC1=C(C)C=C(C=O)C=C1 14879 [1,1,0,0,0,0|1,0,0]=3 284 B11R1.279 COC1=C(Cl)C=C(C=O)C=C1 2638 [1,1,0,0,0,0|1,0,0]=3 285 B11R1.279 COC1=C(F)C=C(C=O)C=C1 1448 [1,1,0,0,0,0|1,0,0]=3 286 B11R1.279 COC1=C(N)C=C(C=O)C=C1 19765 [1,1,0,0,0,0|1,0,0]=3 287 B11R1.279 COC1=C(O)C=C(C=O)C=C1 7770 [1,1,0,0,0,0|1,0,0]=3 288 B11R1.279 COC1=CC(Br)=C(C=O)C=C1 12556 [1,1,0,0,0,0|1,0,0]=3 289 B11R1.279 COC1=CC(C)=C(C=O)C=C1 30912 [1,1,0,0,0,0|1,0,0]=3 290 B11R1.279 COC1=CC(Cl)=C(C=O)C=C1 27587 [1,1,0,0,0,0|1,0,0]=3 291 B11R1.279 COC1=CC(Cl)=C(C=O)C=C1 30888 [1,1,0,0,0,0|1,0,0]=3 292 B11R1.279 COC1=CC(F)=C(C=O)C=C1 1447 [1,1,0,0,0,0|1,0,0]=3 293 B11R1.279 COC1=CC=C(C=O)C(O)=C1 8148 [1,1,0,0,0,0|1,0,0]=3 294 B11R1.279 COC1=NC(F)=C(C=O)C=C1 27963 [1,1,0,0,0,0|2,0,0]=4 295 B11R1.279 COC1=NC=C(C=O)C=C1Cl 17090 [1,1,0,0,0,0|2,0,0]=4 296 B11R1.279 N#CC1=C(F)C=C(C=O)C=C1 30922 [1,1,0,0,0,0|1,0,1]=4 297 B11R1.279 N#CC1=CC(Br)=C(C=O)C=C1 27946 [1,1,0,0,0,0|1,0,1]=4 298 B11R1.279 N#CC1=CC(Cl)=C(C=O)C=C1 30938 [1,1,0,0,0,0|1,0,1]=4 299 B11R1.279 N#CC1=CC(F)=C(C=O)C=C1 16711 [1,1,0,0,0,0|1,0,1]=4 300 B11R1.279 N#CC1=CC(O)=C(C=O)C=C1 17223 [1,1,0,0,0,0|1,0,1]=4 301 B11R1.19 CC(C)(C)C1=CC=C(Br)C=C1 12522 [1,1,0,0,0,0|1,0,0]=3 302 B11R1.19 CC(C)(C)C1=CC=C(I)C=C1 3974 [1,1,0,0,0,0|1,0,0]=3 303 B11R1.19 CC(C)(C)C1=CC=C(N)C=C1 21472 [1,1,0,0,0,0|1,0,0]=3 304 B11R1.19 CC(C)(C)C1=CC=C(S)C=C1 6846 [1,1,0,0,0,0|0,1,0]=3 305 B11R1.19 CC(C)(N)C1=CC=C(F)C=C1 16914 [1,1,0,0,0,0|1,0,0]=3 306 B11R1.19 CC(C)(O)C1=CC=C(N)N=C1 30340 [1,1,0,0,0,0|2,0,0]=4 307 B11R1.19 CC(F)(F)C1=CC=C(Br)C=C1 26273 [1,1,0,0,0,0|2,0,0]=4 308 B11R1.19 CC(F)(F)C1=CC=C(Cl)C=C1 44754 [1,1,0,0,0,0|2,0,0]=4 309 B11R1.19 CC1=CC=C(C(C)(C)C)C=C1 36092 [1,1,0,0,0,0|0,0,1]=3 310 B11R1.19 C[Si](C)(C)c1ccc(F)cc1 28497 [1,1,0,0,0,0|1,1,0]=4 311 B11R1.21 CC(C)C1=CC(Br)=C(N)C=C1 17446 [1,1,0,0,0,0|1,0,0]=3 312 B11R1.21 CC(C)C1=CC(O)=C(I)C=C1 34596 [1,1,0,0,0,0|1,0,0]=3 313 B11R1.21 CC(C)C1=CC=C(O)C(O)=C1 26367 [1,1,0,0,0,0|0,0,1]=3 314 B11R1.21 CC1=C(Br)C=CC(N(C)C)=C1 5345 [1,1,0,0,0,0|2,0,0]=4 315 B11R1.21 CC1=C(N)C=C(C(C)C)C=C1 25919 [1,1,0,0,0,0|0,0,1]=3 316 B11R1.21 CC1=C(N)C=C(C(C)C)C=C1 28331 [1,1,0,0,0,0|0,0,1]=3 317 B11R1.21 CC1=C(O)C=C(C(C)C)C=C1 10329 [1,1,0,0,0,0|0,0,1]=3 318 B11R1.21 CN(C)C1=CC(F)=C(F)C=C1 5241 [1,1,0,0,0,0|2,0,0]=4 319 B11R1.21 CN(C)C1=CC(F)=C(I)C=C1 28131 [1,1,0,0,0,0|2,0,0]=4 320 B11R1.22 CC1=CC=C([C@H](O)CN)C=C1 19376 [1,1,0,0,0,0|1,0,1]=4 321 B11R1.22 CC[C@@H](O)C1=CC=C(Br)C=C1 15566 [1,1,0,0,0,0|2,0,0]=4 322 B11R1.22 CC[C@@H](O)C1=CC=C(Cl)C=C1 15579 [1,1,0,0,0,0|2,0,0]=4 323 B11R1.22 CC[C@@H](O)C1=CC=C(F)C=C1 15586 [1,1,0,0,0,0|2,0,0]=4 324 B11R1.22 NCC(O)C1=CC=C(Cl)C=C1 19370 [1,1,0,0,0,0|2,0,0]=4 325 B11R1.22 NCC(O)C1=CC=C(O)C=C1 18242 [1,1,0,0,0,0|1,0,1]=4 326 B11R1.22 OCC(O)C1=CC=C(Br)C=C1 27665 [1,1,0,0,0,0|2,0,0]=4 327 B11R1.166 CC(C)C1=C(O)C=C(O)C=C1 35906 [1,1,0,0,0,0|0,0,1]=3 328 B11R1.166 CC1=C(N(C)C)C=CC(Br)=C1 5343 [1,1,0,0,0,0|2,0,0]=4 329 B11R1.166 CC1=CC(Br)=C(N(C)C)C=C1 5342 [1,1,0,0,0,0|1,0,1]=4 330 B11R1.166 CN(C)C1=C(Br)C=C(F)C=C1 5227 [1,1,0,0,0,0|2,0,0]=4 331 B11R1.166 CN(C)C1=C(Cl)C=C(Br)C=C1 5366 [1,1,0,0,0,0|2,0,0]=4 332 B11R1.166 CN(C)C1=C(Cl)C=C(F)C=C1 5235 [1,1,0,0,0,0|2,0,0]=4 333 B11R1.166 CN(C)C1=C(F)C=C(Br)C=C1 5229 [1,1,0,0,0,0|2,0,0]=4 334 B11R1.166 CN(C)C1=C(F)C=C(Cl)C=C1 5236 [1,1,0,0,0,0|2,0,0]=4 335 B11R1.166 CN(C)C1=C(F)C=C(F)C=C1 5240 [1,1,0,0,0,0|2,0,0]=4 336 B11R1.166 C[C@H](O)C1=C(Cl)C=C(F)C=C1 15575 [1,1,0,0,0,0|2,0,0]=4 337 B11R1.45 CC(C)(C)N1C=C(C=O)C=N1 23657 [0,1,0,0,1,0|2,0,0]=4 338 B11R1.50 CC1=C(C(C)C)C=C(C=O)O1 20080 [0,1,0,0,1,0|1,0,0]=3 339 B11R1.175 CC(C)C1=CC(C(=O)O)=NO1 36281 [0,1,0,0,1,0|2,0,0]=4 340 B11R1.175 CC(C)C1=CSC(C(=O)O)=N1 19253 [0,1,0,0,1,0|2,0,0]=4 341 B13R1.4 CC(C)(C)OC1=CC=C(C=O)C=C1 36214 [0,1,0,0,0,1|0,0,0]=2 342 B13R1.4 CC(C)(C)OC1=CC=C(CO)C=C1 31295 [0,1,0,0,0,1|0,0,2]=4 343 B13R1.4 CS(=O)(=O)CC1=CC=C(C=O)C=C1 34857 [0,1,0,0,0,1|2,0,0]=4 344 B13R1.4 O=CC1=CC=C(OC(F)(F)F)C=C1 1471 [0,1,0,0,0,1|2,0,0]=4 345 B13R1.4 O=CC1=CC=C(SC(F)(F)F)C=C1 28428 [0,1,0,0,0,1|2,0,0]=4 346 B13R1.5 COC(=O)CC1=CC=C(C=O)C=C1 31476 [0,1,0,0,0,1|1,0,1]=4 347 B13R1.35 O=CC1=C(F)C=C(OC(F)F)C=C1 30908 [0,1,0,0,0,1|2,0,0]=4 348 B13R1.585 CC(=O)C1=CC=C(CC(C)C)C=C1 3116 [0,1,0,0,0,1|0,0,0]=2 349 B13R1.585 CC(=O)C1=CC=C(OC(F)F)C=C1 31225 [0,1,0,0,0,1|2,0,0]=4 350 B13R1.585 CC(=O)NC1=CC=C(C(=O)O)C=C1 23823 [0,1,0,0,0,1|1,0,1]=4 351 B13R1.585 CC(=O)NC1=CC=C(C(C)=O)C=C1 12559 [0,1,0,0,0,1|1,0,1]=4 352 B13R1.585 CC(=O)OC1=CC=C(C(=O)O)C=C1 13099 [0,1,0,0,0,1|1,0,1]=4 353 B13R1.585 CC(C)CC1=CC=C(B(O)O)C=C1 20832 [0,1,0,0,0,1|1,0,1]=4 354 B13R1.585 CC(C)CC1=CC=C(C(=O)O)C=C1 36179 [0,1,0,0,0,1|0,0,0]=2 355 B13R1.585 CC(C)OC1=CC=C(B(O)O)C=C1 9547 [0,1,0,0,0,1|1,0,1]=4 356 B13R1.585 CC(C)OC1=CC=C(C(=O)O)C=C1 2684 [0,1,0,0,0,1|0,0,0]=2 357 B13R1.585 CC(C)SC1=CC=C(B(O)O)C=C1 9548 [0,1,0,0,0,1|1,0,1]=4 358 B13R1.585 O=C(O)C1=CC=C(OC(F)F)C=C1 3933 [0,1,0,0,0,1|2,0,0]=4 359 B13R1.653 O=CC1=CC(F)=C(OC(F)F)C=C1 30921 [0,1,0,0,0,1|2,0,0]=4 360 B13R1.653 O=CC1=CC(O)=C(OC(F)F)C=C1 24181 [0,1,0,0,0,1|2,0,0]=4 361 B13R1.39 CCN(CC)C1=CC=C(C=O)C=C1 22031 [0,2,0,0,0,0|1,0,0]=3 362 B13R1.39 COC1=CC=C(C(OC)OC)C=C1 16858 [0,2,0,0,0,0|2,0,0]=4 363 B13R1.95 COC(=O)C1=C(Cl)C=C(C=O)C=C1 30739 [0,2,0,0,0,0|1,0,1]=4 364 B13R1.95 COC(=O)C1=C(F)C=C(C=O)C=C1 30583 [0,2,0,0,0,0|1,0,1]=4 365 B13R1.537 CCC(C)C1=CC=C([N+](=O)[O-])C=C1 28440 [0,2,0,0,0,0|1,0,0]=3 366 B13R1.537 CN(C)C1=CC=C(C(=O)C=O)C=C1 12238 [0,2,0,0,0,0|1,0,0]=3 367 B13R1.537 COC(=O)C1=CC=C(C(=O)Cl)C=C1 4000 [0,2,0,0,0,0|1,0,1]=4 368 B13R1.537 COC(=O)C1=CC=C(C(=O)[O-])C=C1 13264 [0,2,0,0,0,0|1,0,1]=4 369 B13R1.537 COC(=O)C1=CC=C([C@@H](C)N)C=C1 24248 [0,2,0,0,0,0|1,0,0]=3 370 B13R1.537 COC(=O)C1=CC=C([C@H](C)N)C=C1 21390 [0,2,0,0,0,0|1,0,0]=3 371 B13R1.537 COC(=O)C1=CC=C([C@H](C)N)C=C1 21391 [0,2,0,0,0,0|1,0,0]=3 372 B13R1.537 COC(=O)c1ccc(C(C)=O)cc1 22273 [0,2,0,0,0,0|1,0,1]=4 373 B13R1.537 NC[C@@H](O)C1=CC=C([N+](=O)[O-])C=C1 19378 [0,2,0,0,0,0|2,0,0]=4 374 B13R1.537 O=C(O)C1=CC=C(C(=O)CBr)C=C1 28542 [0,2,0,0,0,0|1,0,1]=4 375 B13R1.3088 COC(=O)C1=CC(C)=C(C=O)C=C1 30666 [0,2,0,0,0,0|1,0,1]=4 376 B13R1.3088 COC(=O)C1=CC(Cl)=C(C=O)C=C1 30588 [0,2,0,0,0,0|1,0,1]=4 377 B13R1.3088 COC(=O)C1=CC(F)=C(C=O)C=C1 30589 [0,2,0,0,0,0|1,0,1]=4 378 B13R1.38 CC(C)(C)C1=CC(O)=C(C#N)C=C1 27386 [0,2,0,0,0,0|1,0,1]=4 379 B13R1.38 CC(C)(C)C1=CC=C(C=O)C(O)=C1 8071 [0,2,0,0,0,0|0,0,0]=2 380 B13R1.38 O=CC1=C(Br)C=C(C(F)(F)F)C=C1 27520 [0,2,0,0,0,0|2,0,0]=4 381 B13R1.38 O=CC1=C(Cl)C=C(C(F)(F)F)C=C1 28403 [0,2,0,0,0,0|2,0,0]=4 382 B13R1.38 O=CC1=C(F)C=C(C(F)(F)F)C=C1 4235 [0,2,0,0,0,0|2,0,0]=4 383 B13R1.38 O=CC1=C(I)C=C(C(F)(F)F)C=C1 30924 [0,2,0,0,0,0|2,0,0]=4 384 B13R1.38 O=Cc1ccc(C(F)(F)F)cc1O 30929 [0,2,0,0,0,0|2,0,0]=4 385 B13R1.96 O=CC1=CC(Br)=C(C(F)(F)F)C=C1 30896 [0,2,0,0,0,0|2,0,0]=4 386 B13R1.96 O=CC1=CC(Cl)=C(C(F)(F)F)C=C1 2889 [0,2,0,0,0,0|2,0,0]=4 387 B13R1.96 O=CC1=CC(F)=C(C(F)(F)F)C=C1 1460 [0,2,0,0,0,0|2,0,0]=4 388 B13R1.96 O=CC1=CC(O)=C(C(F)(F)F)C=C1 33804 [0,2,0,0,0,0|2,0,0]=4 389 B13R1.140 CC(C)(C)C1=CC=C(CC#N)C=C1 13713 [0,2,0,0,0,0|1,0,1]=4 390 B13R1.338 CC(=O)C1=CC=C(C(C)(C)C)C=C1 13707 [0,2,0,0,0,0|0,0,0]=2 391 B13R1.338 CC(=O)C1=CC=C(C(F)(F)F)C=C1 4307 [0,2,0,0,0,0|2,0,0]=4 392 B13R1.338 CC(=O)C1=CC=C(S(C)(=O)=O)C=C1 10865 [0,2,0,0,0,0|2,0,0]=4 393 B13R1.338 CC(C)(C)C1=CC=C(B(O)O)C=C1 1770 [0,2,0,0,0,0|1,0,1]=4 394 B13R1.338 CC(C)(C)C1=CC=C(C(=O)O)C=C1 19991 [0,2,0,0,0,0|0,0,0]=2 395 B13R1.338 CC(C)C1=CC=C(S(=O)(=O)Cl)C=C1 5539 [0,2,0,0,0,0|1,0,0]=3 396 B13R1.338 CS(=O)(=O)C1=CC=C(C(=O)O)C=C1 10871 [0,2,0,0,0,0|2,0,0]=4 397 B13R1.338 NC(=O)C1=CC=C(C(F)(F)F)C=C1 5482 [0,2,0,0,0,0|2,0,0]=4 398 B13R1.338 O=C(Cl)C1=CC=C(C(F)(F)F)C=C1 2200 [0,2,0,0,0,0|2,0,0]=4 399 B13R1.338 O=C(F)C1=CC=C(C(F)(F)F)C=C1 5463 [0,2,0,0,0,0|2,0,0]=4 400 B13R1.338 O=C(O)C1=CC=C(C(F)(F)F)C=C1 5474 [0,2,0,0,0,0|2,0,0]=4 401 B13R1.338 O=C([O-])C1=CC=C(C(F)(F)F)C=C1 29711 [0,2,0,0,0,0|2,0,0]=4 402 B13R1.120 CC(C)c1ccc([N+](=O)[O-])cc1Br 27501 [0,2,0,0,0,0|1,0,0]=3 403 B13R1.652 COC1=C(Br)C=C(C(C)C)C(F)=C1 26353 [0,2,0,0,0,0|2,0,0]=4 404 B13R1.74 CN(C)C1=CC=C(\C=C\C=O)C=C1 2014 [0,2,0,0,0,0|1,0,0]=3 405 B11R1.159 CC(C)C1=C(O)C(O)=CC=C1 34649 [0,0,1,1,0,0|1,0,1]=4 406 B11R1.159 CC(C)C1=CC=CC(Br)=C1O 33834 [0,0,1,1,0,0|2,0,0]=4 407 B11R1.159 CC(C)C1=CC=CC(Cl)=C1O 28112 [0,0,1,1,0,0|2,0,0]=4 408 B11R1.159 CC(C)C1=CC=CC(O)=C1F 27792 [0,0,1,1,0,0|1,0,1]=4 409 B11R1.159 CC1=CC=CC(C(C)C)=C1N 4031 [0,0,1,1,0,0|2,0,0]=4 410 B11R2.190 C=CC1=CC=C2CCC2=C1 35204 [1,0,0,1,0,0|1,0,0]=3 411 B11R2.34 BrC1=CC=C(C2CC2)N=C1 22082 [1,0,0,1,0,0|2,0,0]=4 412 B11R2.34 BrC1=CC=C([C@@H]2CO2)C=C1 5705 [1,0,0,1,0,0|2,0,0]=4 413 B11R2.34 BrC1=CC=C([C@H]2CO2)C=C1 5704 [1,0,0,1,0,0|2,0,0]=4 414 B11R2.34 BrC1=NC=C(C2CC2)C=C1 27621 [1,0,0,1,0,0|2,0,0]=4 415 B11R2.34 FC1=CC=C([C@@H]2CO2)C=C1 18166 [1,0,0,1,0,0|2,0,0]=4 416 B11R2.34 FC1=CC=C([C@H]2CO2)C=C1 18172 [1,0,0,1,0,0|2,0,0]=4 417 B11R2.34 NC1=CC=C(C2CC2)C=C1 19700 [1,0,0,1,0,0|1,0,0]=3 418 B11R2.34 OC1=CC=C(C2CC2)C=C1 17543 [1,0,0,1,0,0|0,0,1]=3 419 B13R2.2130 O=CC1=CC=C2C(=O)NCC2=C1 25142 [0,1,0,1,0,0|1,0,1]=4 420 B13R2.428 O=C(O)C1=CN=C(C2CC2)C=C1 27870 [0,1,0,1,0,0|1,0,0]=3 421 B9R1.21 CCN1C=C(C=O)C=N1 16775 [1,0,0,0,1,0|2,0,0]=4 422 B9R1.21 O=CC1=CC=C(CCl)O1 23444 [1,0,0,0,1,0|2,0,0]=4 423 B9R1.21 O=CC1=CC=C(CO)O1 35936 [1,0,0,0,1,0|2,0,0]=4 424 B11R1.20 CC(C)CC1=CC=C(Br)C=C1 27490 [1,0,0,0,0,1|1,0,0]=3 425 B11R1.20 CC(C)NC1=CC=C(Br)C=C1 34794 [1,0,0,0,0,1|1,0,0]=3 426 B11R1.20 CC(C)OC1=CC=C(N)C=C1 28330 [1,0,0,0,0,1|1,0,0]=3 427 B11R1.20 CC(C)OC1=CC=C(O)C=C1 34515 [1,0,0,0,0,1|0,0,1]=3 428 B11R1.20 CC(C)OC1=CN=C(Br)C=C1 34828 [1,0,0,0,0,1|2,0,0]=4 429 B11R1.20 CC(C)OC1=NC=C(Br)C=C1 22060 [1,0,0,0,0,1|2,0,0]=4 430 B11R1.20 CC(N)CC1=CC=C(F)C=C1 19961 [1,0,0,0,0,1|2,0,0]=4 431 B11R1.266 CC(=O)C1=CC(C=O)=CC=C1 31237 [0,0,0,0,1,1|1,0,1]=4 432 B11R1.266 CC(C)C1=CC=CC(C=O)=C1 19606 [0,0,0,0,1,1|0,0,0]=2 433 B11R1.266 CN(C)C1=CC=CC(C=O)=C1 15110 [0,0,0,0,1,1|1,0,0]=3 434 B13R1.3 CC(C)COC1=CC=C(CN)C=C1 35753 [0,0,0,0,0,2|1,0,1]=4