0 B11R1.3 C#CC1=CC=C(C(=O)O)C=C1 30393 [0,0,0,0,0,0|2,0,1]=3 1 B11R1.3 C=C(C)C1=CC=C(OC)C=C1 20531 [0,0,0,0,0,0|1,0,0]=1 2 B11R1.3 C=CC1=CC=C(C(=O)O)C=C1 12624 [0,0,0,0,0,0|2,0,1]=3 3 B11R1.3 CC(=O)C1=CC=C(C#N)C=C1 3305 [0,0,0,0,0,0|2,0,0]=2 4 B11R1.3 CC(=O)C1=CC=C(C=O)C=C1 23568 [0,0,0,0,0,0|2,0,0]=2 5 B11R1.3 CC(=O)C1=CC=C(CBr)C=C1 31192 [0,0,0,0,0,0|2,0,0]=2 6 B11R1.3 CC(=O)C1=CC=C(CO)C=C1 31334 [0,0,0,0,0,0|2,0,0]=2 7 B11R1.3 CC(C)C1=CC=C(NN)C=C1 7533 [0,0,0,0,0,0|3,0,1]=4 8 B11R1.3 CCC1=CC=C(B(O)O)C=C1 7884 [0,0,0,0,0,0|3,0,1]=4 9 B11R1.3 CCC1=CC=C(C(=O)Cl)C=C1 9725 [0,0,0,0,0,0|2,0,0]=2 10 B11R1.3 CCC1=CC=C(C(C)=O)C=C1 15495 [0,0,0,0,0,0|1,0,0]=1 11 B11R1.3 CCC1=CN=C(C(=O)O)C=C1 27848 [0,0,0,0,0,0|3,0,0]=3 12 B11R1.3 CCC1=NC=C([N+](=O)[O-])C=C1 25854 [0,0,0,0,0,0|4,0,0]=4 13 B11R1.3 CN(C)C1=CC=C(C=O)C=C1 8085 [0,0,0,0,0,0|4,0,0]=4 14 B11R1.3 CN(C)C1=CC=C(CO)C=C1 36061 [0,0,0,0,0,0|4,0,0]=4 15 B11R1.3 CNC1=CC=C(C(=O)O)C=C1 4517 [0,0,0,0,0,0|2,0,0]=2 16 B11R1.3 CNC1=CC=C([N+](=O)[O-])C=C1 21650 [0,0,0,0,0,0|3,0,0]=3 17 B11R1.3 COC1=CC=C(B(O)O)C=C1 15445 [0,0,0,0,0,0|2,0,1]=3 18 B11R1.3 COC1=CC=C(B(O)O)C=C1 1867 [0,0,0,0,0,0|2,0,1]=3 19 B11R1.3 COC1=CC=C(C(=O)Cl)C=C1 9808 [0,0,0,0,0,0|1,0,0]=1 20 B11R1.3 COC1=CC=C(C(=O)O)C=C1 23856 [0,0,0,0,0,0|1,0,0]=1 21 B11R1.3 COC1=CC=C(C(C)=O)C=C1 3324 [0,0,0,0,0,0|0,0,0]=0 22 B11R1.3 COC1=CC=C(C(N)=S)C=C1 13558 [0,0,0,0,0,0|1,1,0]=2 23 B11R1.3 COC1=CC=C(N(C)C)C=C1 16956 [0,0,0,0,0,0|2,0,0]=2 24 B11R1.3 COC1=CN=C(C(=O)O)C=C1 15176 [0,0,0,0,0,0|2,0,0]=2 25 B11R1.3 COC1=CN=C(C(=O)O)C=N1 32117 [0,0,0,0,0,0|3,0,0]=3 26 B11R1.3 COC1=NC=C(B(O)O)C=C1 5047 [0,0,0,0,0,0|3,0,1]=4 27 B11R1.3 COC1=NC=C(C(=O)O)C=C1 15177 [0,0,0,0,0,0|2,0,0]=2 28 B11R1.3 COC1=NC=C(C(C)=O)C=C1 16770 [0,0,0,0,0,0|1,0,0]=1 29 B11R1.3 COC1=NC=C([N+](=O)[O-])C=C1 1207 [0,0,0,0,0,0|3,0,0]=3 30 B11R1.3 COc1ccc([C@@H](C)N)cc1 9920 [0,0,0,0,0,0|1,0,1]=2 31 B11R1.3 COc1ccc([C@H](C)N)cc1 9919 [0,0,0,0,0,0|1,0,1]=2 32 B11R1.3 CSC1=CC=C(B(O)O)C=C1 9544 [0,0,0,0,0,0|2,1,1]=4 33 B11R1.3 CSC1=CC=C(C(C)=O)C=C1 3333 [0,0,0,0,0,0|0,1,0]=1 34 B11R1.3 CSC1=CC=C([N+](=O)[O-])C=C1 10631 [0,0,0,0,0,0|2,1,0]=3 35 B11R1.3 N#CC1=CC=C(C(=O)O)C=C1 19745 [0,0,0,0,0,0|3,0,0]=3 36 B11R1.3 N#CC1=CC=C([N+](=O)[O-])C=C1 9008 [0,0,0,0,0,0|4,0,0]=4 37 B11R1.3 N#CC1=CN=C(C(=O)O)C=C1 16740 [0,0,0,0,0,0|4,0,0]=4 38 B11R1.3 N#CC1=NC=C(C(=O)O)C=C1 16844 [0,0,0,0,0,0|4,0,0]=4 39 B11R1.3 NC(=O)C1=CC=C(CBr)C=C1 34552 [0,0,0,0,0,0|3,0,0]=3 40 B11R1.3 NCC1=CC=C(C(=O)O)C=C1 5815 [0,0,0,0,0,0|3,0,0]=3 41 B11R1.3 NCC1=CC=C([N+](=O)[O-])C=C1 12455 [0,0,0,0,0,0|4,0,0]=4 42 B11R1.3 NNC1=CC=C(C(=O)O)C=C1 7535 [0,0,0,0,0,0|3,0,0]=3 43 B11R1.3 NNC1=CC=C(C(=O)O)C=C1 7572 [0,0,0,0,0,0|3,0,0]=3 44 B11R1.3 NNC1=CC=C([N+](=O)[O-])C=C1 7528 [0,0,0,0,0,0|4,0,0]=4 45 B11R1.3 NNC1=CC=C([N+](=O)[O-])C=C1 7538 [0,0,0,0,0,0|4,0,0]=4 46 B11R1.3 NNC1=NC=C(C(=O)O)C=C1 6700 [0,0,0,0,0,0|4,0,0]=4 47 B11R1.3 NOC1=CC=C([N+](=O)[O-])C=C1 14778 [0,0,0,0,0,0|3,0,0]=3 48 B11R1.3 O=C(O)C1=CC=C(CBr)C=C1 28146 [0,0,0,0,0,0|3,0,0]=3 49 B11R1.3 O=C(O)C1=CC=C(CCl)C=C1 15446 [0,0,0,0,0,0|3,0,0]=3 50 B11R1.3 O=C(O)C1=CC=C(CO)C=C1 12790 [0,0,0,0,0,0|3,0,0]=3 51 B11R1.3 O=CC1=CC=C(C(=O)O)C=C1 8075 [0,0,0,0,0,0|3,0,0]=3 52 B11R1.3 O=CC1=CC=C([N+](=O)[O-])C=C1 8163 [0,0,0,0,0,0|4,0,0]=4 53 B11R1.3 O=[N+]([O-])C1=CC=C(CBr)C=C1 7473 [0,0,0,0,0,0|4,0,0]=4 54 B11R1.3 O=[N+]([O-])C1=CC=C(CCl)C=C1 7476 [0,0,0,0,0,0|4,0,0]=4 55 B11R1.3 O=[N+]([O-])C1=CC=C(CO)C=C1 7472 [0,0,0,0,0,0|4,0,0]=4 56 B11R1.3 [C-]#[N+]C1=CC=C([C@@H](C)O)C=C1 14238 [0,0,0,0,0,0|1,0,3]=4 57 B11R1.3 [C-]#[N+]C1=CC=C([C@H](C)O)C=C1 14243 [0,0,0,0,0,0|1,0,3]=4 58 B10R1.3 C#CC1=CC=C(CC)C=C1 10925 [1,0,0,0,0,0|1,0,2]=4 59 B10R1.3 C=CC1=CC=C(CCl)C=C1 25812 [1,0,0,0,0,0|2,0,1]=4 60 B10R1.3 C=CC1=NC=C(CC)C=C1 19454 [1,0,0,0,0,0|2,0,1]=4 61 B10R1.3 CCC1=CC=C(C=O)C=C1 3072 [1,0,0,0,0,0|1,0,0]=2 62 B10R1.3 CCC1=CC=C(CCl)C=C1 4921 [1,0,0,0,0,0|2,0,1]=4 63 B10R1.3 CCC1=CC=C(OC)C=C1 25322 [1,0,0,0,0,0|0,0,1]=2 64 B10R1.3 CCC1=NC=C(C=O)C=N1 21490 [1,0,0,0,0,0|3,0,0]=4 65 B10R1.3 CCc1ccc(CCl)cc1 36258 [1,0,0,0,0,0|2,0,1]=4 66 B10R1.3 CNC1=CC=C(C#N)C=C1 4815 [1,0,0,0,0,0|2,0,1]=4 67 B10R1.3 CNC1=CC=C(OC)C=C1 25931 [1,0,0,0,0,0|1,0,0]=2 68 B10R1.3 COC1=CC=C(C#N)C=C1 8162 [1,0,0,0,0,0|1,0,1]=3 69 B10R1.3 COC1=CC=C(C=O)C=C1 22535 [1,0,0,0,0,0|0,0,0]=1 70 B10R1.3 COC1=CC=C(C=O)C=N1 5152 [1,0,0,0,0,0|1,0,0]=2 71 B10R1.3 COC1=CC=C(CBr)C=C1 15882 [1,0,0,0,0,0|1,0,1]=3 72 B10R1.3 COC1=CC=C(CCl)C=C1 18654 [1,0,0,0,0,0|1,0,1]=3 73 B10R1.3 COC1=CC=C(CN)C=C1 4428 [1,0,0,0,0,0|1,0,1]=3 74 B10R1.3 COC1=CC=C(CN)C=N1 33703 [1,0,0,0,0,0|2,0,1]=4 75 B10R1.3 COC1=CC=C(CO)C=C1 19100 [1,0,0,0,0,0|0,0,2]=3 76 B10R1.3 COC1=CC=C(CS)C=C1 6839 [1,0,0,0,0,0|0,1,1]=3 77 B10R1.3 COC1=CC=C(NN)C=C1 4498 [1,0,0,0,0,0|2,0,0]=3 78 B10R1.3 COC1=CC=C(SC)C=C1 10655 [1,0,0,0,0,0|1,0,0]=2 79 B10R1.3 COC1=CN=C(C=O)C=C1 24092 [1,0,0,0,0,0|1,0,0]=2 80 B10R1.3 COC1=CN=C(CO)C=C1 34570 [1,0,0,0,0,0|1,0,2]=4 81 B10R1.3 COC1=NC=C(C#N)C=C1 15154 [1,0,0,0,0,0|2,0,1]=4 82 B10R1.3 COC1=NC=C(C=O)C=N1 5296 [1,0,0,0,0,0|2,0,0]=3 83 B10R1.3 CSC1=CC=C(C#N)C=C1 10528 [1,0,0,0,0,0|1,1,1]=4 84 B10R1.3 CSC1=CC=C(C=O)C=C1 10796 [1,0,0,0,0,0|0,1,0]=2 85 B10R1.3 CSC1=CC=C(CCl)C=C1 10530 [1,0,0,0,0,0|1,1,1]=4 86 B10R1.3 CSC1=CC=C(CN)C=C1 27539 [1,0,0,0,0,0|1,1,1]=4 87 B10R1.3 CSC1=CC=C(CO)C=C1 7470 [1,0,0,0,0,0|0,1,2]=4 88 B10R1.3 CSC1=NC=C(C=O)C=N1 21491 [1,0,0,0,0,0|2,1,0]=4 89 B10R1.3 N#CC1=CC=C(C=O)C=C1 3118 [1,0,0,0,0,0|2,0,0]=3 90 B10R1.3 N#CC1=CN=C(C=O)C=C1 33545 [1,0,0,0,0,0|3,0,0]=4 91 B10R1.3 N#CC1=NC=C(C=O)C=C1 33552 [1,0,0,0,0,0|3,0,0]=4 92 B10R1.3 O=CC1=CC=C(C=O)C=C1 35665 [1,0,0,0,0,0|2,0,0]=3 93 B10R1.3 O=CC1=CC=C(CBr)C=C1 19839 [1,0,0,0,0,0|2,0,0]=3 94 B10R1.3 O=CC1=CC=C(CCl)C=C1 30942 [1,0,0,0,0,0|2,0,0]=3 95 B10R1.13 C=C(C)C1=CC=C(O)C=C1 27834 [1,0,0,0,0,0|1,0,0]=2 96 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 3294 [1,0,0,0,0,0|1,0,0]=2 97 B10R1.13 CC(=O)C1=CC=C(C)C=C1 3326 [1,0,0,0,0,0|0,0,0]=1 98 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 3297 [1,0,0,0,0,0|1,0,0]=2 99 B10R1.13 CC(=O)C1=CC=C(Cl)N=N1 17693 [1,0,0,0,0,0|3,0,0]=4 100 B10R1.13 CC(=O)C1=CC=C(F)C=C1 10587 [1,0,0,0,0,0|1,0,0]=2 101 B10R1.13 CC(=O)C1=CC=C(I)C=C1 3323 [1,0,0,0,0,0|1,0,0]=2 102 B10R1.13 CC(=O)C1=CC=C(N)C=C1 3288 [1,0,0,0,0,0|1,0,0]=2 103 B10R1.13 CC(=O)C1=CC=C(O)C=C1 3311 [1,0,0,0,0,0|0,0,0]=1 104 B10R1.13 CC(=O)C1=CN=C(Br)C=C1 5959 [1,0,0,0,0,0|2,0,0]=3 105 B10R1.13 CC(=O)C1=CN=C(C)C=C1 14412 [1,0,0,0,0,0|1,0,0]=2 106 B10R1.13 CC(=O)C1=CN=C(Cl)C=C1 14411 [1,0,0,0,0,0|2,0,0]=3 107 B10R1.13 CC(=O)C1=CN=C(O)C=C1 29236 [1,0,0,0,0,0|1,0,0]=2 108 B10R1.13 CC(=O)C1=NC=C(Br)C=C1 20326 [1,0,0,0,0,0|2,0,0]=3 109 B10R1.13 CC(=O)C1=NC=C(C)C=C1 16371 [1,0,0,0,0,0|1,0,0]=2 110 B10R1.13 CC(=O)C1=NC=C(N)C=C1 33797 [1,0,0,0,0,0|2,0,0]=3 111 B10R1.13 CC(C)C1=CC=C(Br)C=C1 18676 [1,0,0,0,0,0|2,0,1]=4 112 B10R1.13 CC(C)C1=CC=C(I)C=C1 3975 [1,0,0,0,0,0|2,0,1]=4 113 B10R1.13 CC(C)C1=CC=C(S)C=C1 6814 [1,0,0,0,0,0|1,1,1]=4 114 B10R1.13 CC(N)C1=CC=C(Cl)C=C1 27544 [1,0,0,0,0,0|2,0,1]=4 115 B10R1.13 CC(N)C1=CC=C(F)C=C1 3425 [1,0,0,0,0,0|2,0,1]=4 116 B10R1.13 CC(O)C1=CC=C(Br)C=C1 12552 [1,0,0,0,0,0|1,0,2]=4 117 B10R1.13 CC1=CC=C(B(O)O)C=C1 1873 [1,0,0,0,0,0|2,0,1]=4 118 B10R1.13 CC1=CC=C(B(O)O)C=C1 27335 [1,0,0,0,0,0|2,0,1]=4 119 B10R1.13 CC1=CC=C(C(=O)Cl)C=C1 15455 [1,0,0,0,0,0|1,0,0]=2 120 B10R1.13 CC1=CC=C(C(=O)O)C=C1 15433 [1,0,0,0,0,0|1,0,0]=2 121 B10R1.13 CC1=CC=C(C(=O)O)N=N1 18650 [1,0,0,0,0,0|3,0,0]=4 122 B10R1.13 CC1=CC=C(C(N)=O)C=C1 27569 [1,0,0,0,0,0|1,0,0]=2 123 B10R1.13 CC1=CC=C(C(O)=S)C=C1 10665 [1,0,0,0,0,0|1,0,1]=3 124 B10R1.13 CC1=CC=C(N(C)C)C=C1 21347 [1,0,0,0,0,0|2,0,0]=3 125 B10R1.13 CC1=CC=C(S(=O)O)C=C1 35986 [1,0,0,0,0,0|2,0,0]=3 126 B10R1.13 CC1=CC=C(S(=O)[O-])C=C1 35988 [1,0,0,0,0,0|2,0,0]=3 127 B10R1.13 CC1=CC=C([C@H](C)O)C=C1 15589 [1,0,0,0,0,0|0,0,2]=3 128 B10R1.13 CC1=CN=C(C(=O)O)C=C1 22648 [1,0,0,0,0,0|2,0,0]=3 129 B10R1.13 CC1=CN=C(C(=O)O)C=N1 8550 [1,0,0,0,0,0|3,0,0]=4 130 B10R1.13 CC1=CN=C(C(=O)O)N=C1 35346 [1,0,0,0,0,0|3,0,0]=4 131 B10R1.13 CC1=NC=C(C(=O)O)C=C1 1218 [1,0,0,0,0,0|2,0,0]=3 132 B10R1.13 CC1=NC=C(C(=O)O)C=N1 13290 [1,0,0,0,0,0|3,0,0]=4 133 B10R1.13 CC1=NC=C([N+](=O)[O-])C=C1 6699 [1,0,0,0,0,0|3,0,0]=4 134 B10R1.13 CN(C)C1=CC=C(Br)C=C1 2230 [1,0,0,0,0,0|3,0,0]=4 135 B10R1.13 CN(C)C1=CC=C(Cl)C=C1 5271 [1,0,0,0,0,0|3,0,0]=4 136 B10R1.13 CN(C)C1=CC=C(F)C=C1 3365 [1,0,0,0,0,0|3,0,0]=4 137 B10R1.13 CN(C)C1=CC=C(O)C=C1 27800 [1,0,0,0,0,0|2,0,0]=3 138 B10R1.13 CN(C)c1ccc(N)cc1 21651 [1,0,0,0,0,0|3,0,0]=4 139 B10R1.13 C[C@@H](N)C1=CC=C(Cl)C=C1 15222 [1,0,0,0,0,0|2,0,1]=4 140 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 15219 [1,0,0,0,0,0|2,0,1]=4 141 B10R1.13 C[C@@H](N)C1=CC=C(O)C=C1 2454 [1,0,0,0,0,0|1,0,1]=3 142 B10R1.13 C[C@@H](N)c1ccc(Br)cc1 14234 [1,0,0,0,0,0|2,0,1]=4 143 B10R1.13 C[C@@H](O)C1=CC=C(Br)C=C1 14252 [1,0,0,0,0,0|1,0,2]=4 144 B10R1.13 C[C@@H](O)C1=CC=C(Cl)C=C1 14249 [1,0,0,0,0,0|1,0,2]=4 145 B10R1.13 C[C@@H](O)C1=CC=C(F)C=C1 14245 [1,0,0,0,0,0|1,0,2]=4 146 B10R1.13 C[C@H](N)C1=CC=C(Cl)C=C1 15221 [1,0,0,0,0,0|2,0,1]=4 147 B10R1.13 C[C@H](N)C1=CC=C(F)C=C1 15218 [1,0,0,0,0,0|2,0,1]=4 148 B10R1.13 C[C@H](N)c1ccc(Br)cc1 5736 [1,0,0,0,0,0|2,0,1]=4 149 B10R1.13 C[C@H](O)C1=CC=C(Br)C=C1 14253 [1,0,0,0,0,0|1,0,2]=4 150 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 14251 [1,0,0,0,0,0|1,0,2]=4 151 B10R1.13 C[C@H](O)C1=CC=C(F)C=C1 14247 [1,0,0,0,0,0|1,0,2]=4 152 B10R1.13 Cc1ccc(C(Cl)Cl)cc1 10212 [1,0,0,0,0,0|2,0,1]=4 153 B10R1.13 Cc1ccc([C@@H](C)N)cc1 8021 [1,0,0,0,0,0|1,0,1]=3 154 B10R1.13 Cc1ccc([S@@](N)=O)cc1 9914 [1,0,0,0,0,0|2,0,0]=3 155 B10R1.13 Cc1ccc([S@](N)=O)cc1 9913 [1,0,0,0,0,0|2,0,0]=3 156 B10R1.13 N=C(N)C1=CC=C(Br)C=C1 25824 [1,0,0,0,0,0|3,0,0]=4 157 B10R1.13 N=C(N)C1=CC=C(N)C=C1 13445 [1,0,0,0,0,0|3,0,0]=4 158 B10R1.13 N=C(N)C1=CC=C(O)C=C1 18174 [1,0,0,0,0,0|2,0,0]=3 159 B10R1.13 NC(=O)C1=CC=C(Br)C=C1 3737 [1,0,0,0,0,0|2,0,0]=3 160 B10R1.13 NC(=O)C1=CC=C(Cl)C=C1 3619 [1,0,0,0,0,0|2,0,0]=3 161 B10R1.13 NC(=O)C1=CC=C(F)C=C1 3407 [1,0,0,0,0,0|2,0,0]=3 162 B10R1.13 NC(=O)C1=CC=C(N)C=C1 35461 [1,0,0,0,0,0|2,0,0]=3 163 B10R1.13 NC(=O)C1=NC=C(N)C=C1 17853 [1,0,0,0,0,0|3,0,0]=4 164 B10R1.13 NC(=S)C1=CC=C(Cl)C=C1 10912 [1,0,0,0,0,0|2,1,0]=4 165 B10R1.13 NC(=S)C1=CC=C(N)C=C1 13560 [1,0,0,0,0,0|2,1,0]=4 166 B10R1.13 NC(=S)C1=CC=C(O)C=C1 13555 [1,0,0,0,0,0|1,1,0]=3 167 B10R1.13 NC1=CC=C(C(=O)O)C=C1 13422 [1,0,0,0,0,0|2,0,0]=3 168 B10R1.13 NC1=CC=C([N+](=O)[O-])C=C1 2098 [1,0,0,0,0,0|3,0,0]=4 169 B10R1.13 NC1=CN=C(C(=O)O)C=C1 15896 [1,0,0,0,0,0|3,0,0]=4 170 B10R1.13 NC1=CN=C(C(=O)O)C=C1 17661 [1,0,0,0,0,0|3,0,0]=4 171 B10R1.13 NC1=NC=C(C(=O)O)C=C1 2417 [1,0,0,0,0,0|3,0,0]=4 172 B10R1.13 O=C(Cl)C1=CC=C(Br)C=C1 16513 [1,0,0,0,0,0|2,0,0]=3 173 B10R1.13 O=C(Cl)C1=CC=C(Cl)C=C1 14145 [1,0,0,0,0,0|2,0,0]=3 174 B10R1.13 O=C(Cl)C1=CC=C(F)C=C1 19744 [1,0,0,0,0,0|2,0,0]=3 175 B10R1.13 O=C(Cl)C1=CC=C(I)C=C1 27236 [1,0,0,0,0,0|2,0,0]=3 176 B10R1.13 O=C(Cl)C1=CN=C(Cl)C=C1 18665 [1,0,0,0,0,0|3,0,0]=4 177 B10R1.13 O=C(Cl)C1=CN=C(F)C=C1 5141 [1,0,0,0,0,0|3,0,0]=4 178 B10R1.13 O=C(O)C1=CC=C(Br)C=C1 3741 [1,0,0,0,0,0|2,0,0]=3 179 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 8985 [1,0,0,0,0,0|2,0,0]=3 180 B10R1.13 O=C(O)C1=CC=C(F)C=C1 8221 [1,0,0,0,0,0|2,0,0]=3 181 B10R1.13 O=C(O)C1=CC=C(I)C=C1 3928 [1,0,0,0,0,0|2,0,0]=3 182 B10R1.13 O=C(O)C1=CC=C(O)C=C1 16819 [1,0,0,0,0,0|1,0,0]=2 183 B10R1.13 O=C(O)C1=CC=C(O)N=N1 16854 [1,0,0,0,0,0|3,0,0]=4 184 B10R1.13 O=C(O)C1=CC=C(S)C=C1 6842 [1,0,0,0,0,0|1,1,0]=3 185 B10R1.13 O=C(O)C1=CN=C(Br)C=C1 1122 [1,0,0,0,0,0|3,0,0]=4 186 B10R1.13 O=C(O)C1=CN=C(Cl)C=C1 2600 [1,0,0,0,0,0|3,0,0]=4 187 B10R1.13 O=C(O)C1=CN=C(F)C=C1 1121 [1,0,0,0,0,0|3,0,0]=4 188 B10R1.13 O=C(O)C1=CN=C(O)C=C1 15641 [1,0,0,0,0,0|2,0,0]=3 189 B10R1.13 O=C(O)C1=NC=C(Br)C=C1 9212 [1,0,0,0,0,0|3,0,0]=4 190 B10R1.13 O=C(O)C1=NC=C(Cl)C=C1 10379 [1,0,0,0,0,0|3,0,0]=4 191 B10R1.13 O=C(O)C1=NC=C(F)C=C1 14387 [1,0,0,0,0,0|3,0,0]=4 192 B10R1.13 O=C(O)C1=NC=C(I)C=C1 27836 [1,0,0,0,0,0|3,0,0]=4 193 B10R1.13 O=C(O)C1=NC=C(O)C=C1 10094 [1,0,0,0,0,0|2,0,0]=3 194 B10R1.13 O=C(O)C1=NC=C(O)N=C1 24014 [1,0,0,0,0,0|3,0,0]=4 195 B10R1.13 O=[N+]([O-])C1=CC=C(Cl)C=C1 24616 [1,0,0,0,0,0|3,0,0]=4 196 B10R1.13 O=[N+]([O-])C1=CC=C(F)C=C1 2286 [1,0,0,0,0,0|3,0,0]=4 197 B10R1.13 O=[N+]([O-])C1=CC=C(I)C=C1 4436 [1,0,0,0,0,0|3,0,0]=4 198 B10R1.13 O=[N+]([O-])C1=CC=C(O)C=C1 19727 [1,0,0,0,0,0|2,0,0]=3 199 B10R1.13 O=[N+]([O-])C1=CC=C(O)C=N1 27826 [1,0,0,0,0,0|3,0,0]=4 200 B10R1.13 O=[N+]([O-])C1=CC=C(S)C=C1 5422 [1,0,0,0,0,0|2,1,0]=4 201 B10R1.13 O=[N+]([O-])C1=CN=C(O)C=C1 1205 [1,0,0,0,0,0|3,0,0]=4 202 B10R1.13 O=[N+]([O-])c1ccc(Br)cc1 27491 [1,0,0,0,0,0|3,0,0]=4 203 B10R1.13 OB(O)C1=CC=C(O)C=C1 1729 [1,0,0,0,0,0|2,0,1]=4 204 B10R1.13 OC1=CC=C(C(F)F)C=C1 19704 [1,0,0,0,0,0|2,0,1]=4 205 B12R1.5 C#CC1=CC=C(C(=O)OC)C=C1 29728 [0,1,0,0,0,0|1,0,1]=3 206 B12R1.5 CCC(=O)C1=CC=C(CC)C=C1 28265 [0,1,0,0,0,0|1,0,0]=2 207 B12R1.5 CCC1=CC=C(C(=O)C=O)C=C1 12298 [0,1,0,0,0,0|1,0,1]=3 208 B12R1.5 CCC1=CC=C(C(=O)CBr)C=C1 33537 [0,1,0,0,0,0|1,0,0]=2 209 B12R1.5 COC(=O)C1=CC=C(C#N)N=C1 19304 [0,1,0,0,0,0|3,0,0]=4 210 B12R1.5 COC(=O)C1=CC=C(C=O)C=C1 17488 [0,1,0,0,0,0|2,0,0]=3 211 B12R1.5 COC(=O)C1=CC=C(CBr)C=C1 13652 [0,1,0,0,0,0|2,0,0]=3 212 B12R1.5 COC(=O)C1=CC=C(CN)C=C1 24217 [0,1,0,0,0,0|2,0,0]=3 213 B12R1.5 COC(=O)C1=CC=C(CN)C=C1 24218 [0,1,0,0,0,0|2,0,0]=3 214 B12R1.5 COC(=O)C1=CN=C(CO)C=C1 19720 [0,1,0,0,0,0|3,0,0]=4 215 B12R1.5 COC(=O)C1=CN=C(OC)C=C1 14334 [0,1,0,0,0,0|1,0,0]=2 216 B12R1.5 COC(=O)C1=NC=C(OC)C=C1 35347 [0,1,0,0,0,0|1,0,0]=2 217 B12R1.5 COC1=CC=C(C(=O)C=O)C=C1 12129 [0,1,0,0,0,0|0,0,1]=2 218 B12R1.5 COC1=CC=C(C(=O)CBr)C=C1 3261 [0,1,0,0,0,0|0,0,0]=1 219 B12R1.5 COC1=CC=C(C(=O)CCl)C=C1 3270 [0,1,0,0,0,0|0,0,0]=1 220 B12R1.5 COC1=CC=C(C(=O)CN)C=C1 22350 [0,1,0,0,0,0|0,0,0]=1 221 B12R1.5 COC1=CC=C(C(=O)NN)C=C1 17801 [0,1,0,0,0,0|1,0,0]=2 222 B12R1.5 COC1=CC=C([C@H](O)CN)C=C1 19377 [0,1,0,0,0,0|0,0,2]=3 223 B12R1.5 CSC1=CC=C(C(=O)C=O)C=C1 12343 [0,1,0,0,0,0|0,1,1]=3 224 B12R1.5 N#CC1=CC=C(C(=O)C=O)C=C1 12160 [0,1,0,0,0,0|2,0,1]=4 225 B12R1.5 N#CC1=CC=C(C(=O)C=O)C=C1 22236 [0,1,0,0,0,0|2,0,1]=4 226 B12R1.5 N#CC1=CC=C(C(=O)CBr)C=C1 15747 [0,1,0,0,0,0|2,0,0]=3 227 B12R1.5 N#CC1=CC=C(C(=O)NN)C=C1 34564 [0,1,0,0,0,0|3,0,0]=4 228 B12R1.5 N#CC1=CC=C(C(=O)NN)C=C1 36395 [0,1,0,0,0,0|3,0,0]=4 229 B12R1.5 N#Cc1ccc(C(=O)CN)cc1 20059 [0,1,0,0,0,0|2,0,0]=3 230 B12R1.6 C#CC1=CC=C(S(C)(=O)=O)C=C1 34396 [0,1,0,0,0,0|2,0,1]=4 231 B12R1.6 CCC1=CC=C(S(=O)(=O)Cl)C=C1 5133 [0,1,0,0,0,0|3,0,0]=4 232 B12R1.6 COC1=CC=C(C(C)(C)C)C=C1 35317 [0,1,0,0,0,0|1,0,1]=3 233 B12R1.6 COC1=CC=C(C(C)(C)O)C=C1 24425 [0,1,0,0,0,0|0,0,2]=3 234 B12R1.6 COC1=CC=C(C(F)(F)F)C=C1 10126 [0,1,0,0,0,0|2,0,1]=4 235 B12R1.6 COC1=CC=C(S(C)(=O)=O)C=C1 10828 [0,1,0,0,0,0|1,0,0]=2 236 B12R1.6 COC1=CC=C([B-](F)(F)F)C=C1 11347 [0,1,0,0,0,0|3,0,0]=4 237 B12R1.6 CS(=O)(=O)C1=CC=C(C=O)C=C1 8151 [0,1,0,0,0,0|3,0,0]=4 238 B12R1.6 CS(=O)(=O)C1=CC=C(CBr)C=C1 18666 [0,1,0,0,0,0|3,0,0]=4 239 B12R1.48 CC(=O)C1=CC(Br)=C(C#N)C=C1 27549 [0,1,0,0,0,0|2,0,0]=3 240 B12R1.48 CC(=O)C1=CC(C)=C(C#N)C=C1 28244 [0,1,0,0,0,0|2,0,0]=3 241 B12R1.48 CC1=C(C#N)C=CC(C(=O)O)=C1 14420 [0,1,0,0,0,0|3,0,0]=4 242 B12R1.48 CC1=C(C=O)C=CC(C(=O)O)=C1 30642 [0,1,0,0,0,0|3,0,0]=4 243 B12R1.48 CCC1=C(N)C=C([N+](=O)[O-])C=C1 27786 [0,1,0,0,0,0|3,0,0]=4 244 B12R1.48 COC1=C(Br)C=C(C(=O)O)C=C1 2675 [0,1,0,0,0,0|1,0,0]=2 245 B12R1.48 COC1=C(Br)C=C(C(C)=O)C=C1 21012 [0,1,0,0,0,0|0,0,0]=1 246 B12R1.48 COC1=C(Br)C=C([N+](=O)[O-])C=C1 4133 [0,1,0,0,0,0|2,0,0]=3 247 B12R1.48 COC1=C(C)C=C(B(O)O)C=C1 33884 [0,1,0,0,0,0|2,0,1]=4 248 B12R1.48 COC1=C(C)C=C([N+](=O)[O-])C=C1 28385 [0,1,0,0,0,0|2,0,0]=3 249 B12R1.48 COC1=C(Cl)C=C(B(O)O)C=C1 29594 [0,1,0,0,0,0|2,0,1]=4 250 B12R1.48 COC1=C(Cl)C=C(C(C)=O)C=C1 16367 [0,1,0,0,0,0|0,0,0]=1 251 B12R1.48 COC1=C(Cl)C=C([C@H](C)O)C=C1 15581 [0,1,0,0,0,0|0,0,2]=3 252 B12R1.48 COC1=C(Cl)C=C([N+](=O)[O-])C=C1 19087 [0,1,0,0,0,0|2,0,0]=3 253 B12R1.48 COC1=C(F)C=C(B(O)O)C=C1 1850 [0,1,0,0,0,0|2,0,1]=4 254 B12R1.48 COC1=C(F)C=C(C(=O)Cl)C=C1 1921 [0,1,0,0,0,0|1,0,0]=2 255 B12R1.48 COC1=C(F)C=C(C(=O)O)C=C1 1393 [0,1,0,0,0,0|1,0,0]=2 256 B12R1.48 COC1=C(F)C=C(C(C)=O)C=C1 3499 [0,1,0,0,0,0|0,0,0]=1 257 B12R1.48 COC1=C(F)C=C([N+](=O)[O-])C=C1 2145 [0,1,0,0,0,0|2,0,0]=3 258 B12R1.48 COC1=C(I)C=C(C(=O)O)C=C1 4973 [0,1,0,0,0,0|1,0,0]=2 259 B12R1.48 COC1=C(I)C=C([N+](=O)[O-])C=C1 5364 [0,1,0,0,0,0|2,0,0]=3 260 B12R1.48 COC1=C(N)C=C(B(O)O)C=C1 1749 [0,1,0,0,0,0|2,0,1]=4 261 B12R1.48 COC1=C(N)C=C(C(=O)O)C=C1 2032 [0,1,0,0,0,0|1,0,0]=2 262 B12R1.48 COC1=C(N)C=C(C(N)=O)C=C1 35459 [0,1,0,0,0,0|1,0,0]=2 263 B12R1.48 COC1=C(N)C=C([N+](=O)[O-])C=C1 11610 [0,1,0,0,0,0|2,0,0]=3 264 B12R1.48 COC1=C(O)C=C(C(=O)O)C=C1 19741 [0,1,0,0,0,0|1,0,0]=2 265 B12R1.48 COC1=CC=C([N+](=O)[O-])N=C1C 6639 [0,1,0,0,0,0|3,0,0]=4 266 B12R1.48 COC1=CC=C([N+](=O)[O-])N=C1Cl 22129 [0,1,0,0,0,0|3,0,0]=4 267 B12R1.48 COC1=NC=C(C(=O)O)C=C1Cl 15239 [0,1,0,0,0,0|2,0,0]=3 268 B12R1.48 COC1=NC=C([N+](=O)[O-])C=C1Br 1179 [0,1,0,0,0,0|3,0,0]=4 269 B12R1.48 COC1=NC=C([N+](=O)[O-])C=C1C 3530 [0,1,0,0,0,0|3,0,0]=4 270 B12R1.48 COc1ccc(C(=O)O)cc1Cl 19130 [0,1,0,0,0,0|1,0,0]=2 271 B12R1.48 N#CC1=C(Br)C=C(C(=O)O)C=C1 30638 [0,1,0,0,0,0|3,0,0]=4 272 B12R1.48 N#CC1=C(F)C=C(C(=O)O)C=C1 4604 [0,1,0,0,0,0|3,0,0]=4 273 B12R1.48 N#CC1=C(N)C=C(C(=O)O)C=C1 30636 [0,1,0,0,0,0|3,0,0]=4 274 B12R1.48 O=CC1=C(Br)C=C(C(=O)O)C=C1 27612 [0,1,0,0,0,0|3,0,0]=4 275 B12R1.48 O=CC1=C(Cl)C=C(C(=O)O)C=C1 30603 [0,1,0,0,0,0|3,0,0]=4 276 B12R1.48 O=CC1=C(F)C=C(C(=O)O)C=C1 30604 [0,1,0,0,0,0|3,0,0]=4 277 B12R1.113 CC(=O)C1=CC=C(CCBr)C=C1 31199 [0,1,0,0,0,0|1,0,0]=2 278 B12R1.113 CCOC1=CC=C(B(O)O)C=C1 1836 [0,1,0,0,0,0|2,0,1]=4 279 B12R1.113 CCOC1=CC=C(C(=O)Cl)C=C1 10868 [0,1,0,0,0,0|1,0,0]=2 280 B12R1.113 CCOC1=CC=C(C(=O)O)C=C1 2686 [0,1,0,0,0,0|1,0,0]=2 281 B12R1.113 CCOC1=CC=C(C(C)=O)C=C1 3306 [0,1,0,0,0,0|0,0,0]=1 282 B12R1.113 CCOC1=CC=C([N+](=O)[O-])C=C1 3190 [0,1,0,0,0,0|2,0,0]=3 283 B12R1.113 CCOC1=CN=C(C(=O)O)C=N1 32172 [0,1,0,0,0,0|3,0,0]=4 284 B12R1.113 CCOC1=NC=C([N+](=O)[O-])C=C1 6236 [0,1,0,0,0,0|3,0,0]=4 285 B12R1.113 COCC1=CC=C(B(O)O)C=C1 29543 [0,1,0,0,0,0|2,0,1]=4 286 B12R1.113 N#CCC1=CC=C(C(=O)O)C=C1 30607 [0,1,0,0,0,0|2,0,1]=4 287 B12R1.113 NCCC1=CC=C([N+](=O)[O-])C=C1 11627 [0,1,0,0,0,0|3,0,0]=4 288 B12R1.113 NCCC1=CC=C([N+](=O)[O-])C=C1 11639 [0,1,0,0,0,0|3,0,0]=4 289 B12R1.113 O=C(O)C1=CC=C(C#CBr)C=C1 35913 [0,1,0,0,0,0|2,0,1]=4 290 B12R1.113 O=C(O)C1=CC=C(CCBr)C=C1 30479 [0,1,0,0,0,0|2,0,0]=3 291 B12R1.113 O=[N+]([O-])C1=CC=C(CCO)C=C1 14282 [0,1,0,0,0,0|3,0,0]=4 292 B12R1.256 CC(=O)C1=CC=C(B(O)O)C=C1 1734 [0,1,0,0,0,0|2,0,0]=3 293 B12R1.256 CC(=O)C1=CC=C(C(=O)O)C=C1 3129 [0,1,0,0,0,0|2,0,0]=3 294 B12R1.256 CC(=O)C1=CC=C(C(C)=O)C=C1 3143 [0,1,0,0,0,0|1,0,0]=2 295 B12R1.256 CC(=O)C1=CC=C(N(C)C)C=C1 25951 [0,1,0,0,0,0|1,0,0]=2 296 B12R1.256 CC(=O)C1=NC=C([N+](=O)[O-])C=C1 18335 [0,1,0,0,0,0|3,0,0]=4 297 B12R1.256 CC(C)C1=CC=C(C(=O)O)C=C1 20027 [0,1,0,0,0,0|2,0,0]=3 298 B12R1.256 CC(C)C1=CN=C(C(=O)O)C=C1 33667 [0,1,0,0,0,0|3,0,0]=4 299 B12R1.256 CN(C)C1=CC=C(N(C)C)C=C1 35746 [0,1,0,0,0,0|3,0,0]=4 300 B12R1.256 CS(=O)C1=CC=C(C(=O)O)C=C1 15338 [0,1,0,0,0,0|1,1,0]=3 301 B12R1.256 C[C@H](N)C1=CC=C([N+](=O)[O-])C=C1 23250 [0,1,0,0,0,0|3,0,0]=4 302 B12R1.256 C[C@H](N)c1ccc([N+](=O)[O-])cc1 7975 [0,1,0,0,0,0|3,0,0]=4 303 B12R1.256 NC(=O)C1=CC=C(B(O)O)C=C1 13398 [0,1,0,0,0,0|3,0,0]=4 304 B12R1.256 NC(=O)C1=CC=C([N+](=O)[O-])C=C1 13419 [0,1,0,0,0,0|3,0,0]=4 305 B12R1.256 O=C(Cl)C1=CC=C(B(O)O)C=C1 9545 [0,1,0,0,0,0|3,0,0]=4 306 B12R1.256 O=C(Cl)C1=CC=C(C(=O)Cl)C=C1 26658 [0,1,0,0,0,0|3,0,0]=4 307 B12R1.256 O=C(Cl)C1=CC=C([N+](=O)[O-])C=C1 22042 [0,1,0,0,0,0|3,0,0]=4 308 B12R1.256 O=C(O)C1=CC=C(B(O)O)C=C1 1772 [0,1,0,0,0,0|3,0,0]=4 309 B12R1.256 O=C(O)C1=CC=C(C(=O)O)C=C1 26269 [0,1,0,0,0,0|3,0,0]=4 310 B12R1.256 O=C(O)C1=CC=C([N+](=O)[O-])C=C1 15437 [0,1,0,0,0,0|3,0,0]=4 311 B12R1.452 CC(=O)C1=C(O)C=C(C#N)C=C1 29274 [0,1,0,0,0,0|2,0,0]=3 312 B12R1.452 CC1=C(C(=O)O)C=CC(C#N)=C1 30565 [0,1,0,0,0,0|3,0,0]=4 313 B12R1.452 CNC1=CC(Cl)=C(C(=O)O)C=C1 24164 [0,1,0,0,0,0|2,0,0]=3 314 B12R1.452 COC1=CC(Br)=C(C(=O)O)C=C1 17209 [0,1,0,0,0,0|1,0,0]=2 315 B12R1.452 COC1=CC(Br)=C(C(F)F)C=C1 31147 [0,1,0,0,0,0|2,0,1]=4 316 B12R1.452 COC1=CC(Br)=C([N+](=O)[O-])C=C1 31150 [0,1,0,0,0,0|2,0,0]=3 317 B12R1.452 COC1=CC(C)=C(C(=O)O)C=C1 30466 [0,1,0,0,0,0|1,0,0]=2 318 B12R1.452 COC1=CC(C)=C([N+](=O)[O-])C=C1 4149 [0,1,0,0,0,0|2,0,0]=3 319 B12R1.452 COC1=CC(Cl)=C(B(O)O)C=C1 1781 [0,1,0,0,0,0|2,0,1]=4 320 B12R1.452 COC1=CC(Cl)=C(C(=O)O)C=C1 14030 [0,1,0,0,0,0|1,0,0]=2 321 B12R1.452 COC1=CC(F)=C(B(O)O)C=C1 15367 [0,1,0,0,0,0|2,0,1]=4 322 B12R1.452 COC1=CC(F)=C(C(=O)Cl)C=C1 28648 [0,1,0,0,0,0|1,0,0]=2 323 B12R1.452 COC1=CC(F)=C(C(=O)O)C=C1 4965 [0,1,0,0,0,0|1,0,0]=2 324 B12R1.452 COC1=CC(F)=C(C(C)=O)C=C1 2548 [0,1,0,0,0,0|0,0,0]=1 325 B12R1.452 COC1=CC(F)=C([N+](=O)[O-])C=C1 4139 [0,1,0,0,0,0|2,0,0]=3 326 B12R1.452 COC1=CC(I)=C([N+](=O)[O-])C=C1 28384 [0,1,0,0,0,0|2,0,0]=3 327 B12R1.452 COC1=CC(N)=C(C(=O)O)C=C1 11856 [0,1,0,0,0,0|1,0,0]=2 328 B12R1.452 COC1=CC(N)=C(C(C)=O)C=C1 29252 [0,1,0,0,0,0|0,0,0]=1 329 B12R1.452 COC1=CC(N)=C([N+](=O)[O-])C=C1 5365 [0,1,0,0,0,0|2,0,0]=3 330 B12R1.452 COC1=CC(O)=C(C(=O)O)C=C1 18895 [0,1,0,0,0,0|1,0,0]=2 331 B12R1.452 COC1=CC(O)=C(C(C)=O)C=C1 3271 [0,1,0,0,0,0|0,0,0]=1 332 B12R1.452 COC1=CC(O)=C([N+](=O)[O-])C=C1 22230 [0,1,0,0,0,0|2,0,0]=3 333 B12R1.452 COC1=CC=C(C(=O)O)C(Cl)=N1 15182 [0,1,0,0,0,0|2,0,0]=3 334 B12R1.452 COC1=CC=C([N+](=O)[O-])C(Cl)=N1 4044 [0,1,0,0,0,0|3,0,0]=4 335 B12R1.452 COC1=CC=C([N+](=O)[O-])C(N)=N1 5689 [0,1,0,0,0,0|3,0,0]=4 336 B12R1.452 COC1=NC(C)=C([N+](=O)[O-])C=C1 6608 [0,1,0,0,0,0|3,0,0]=4 337 B12R1.452 COC1=NC(F)=C(C(=O)O)C=C1 27964 [0,1,0,0,0,0|2,0,0]=3 338 B12R1.452 COC1=NC=C([N+](=O)[O-])C(C)=C1 6607 [0,1,0,0,0,0|3,0,0]=4 339 B12R1.452 N#CC1=CC(Br)=C(C(=O)O)C=C1 30631 [0,1,0,0,0,0|3,0,0]=4 340 B12R1.452 N#CC1=CC(F)=C(C(=O)O)C=C1 4603 [0,1,0,0,0,0|3,0,0]=4 341 B12R1.452 N#CC1=CC(N)=C(C(=O)O)C=C1 30630 [0,1,0,0,0,0|3,0,0]=4 342 B12R2.1384 O=C(O)C1=CC2=C(C=C1)C=C2 25599 [0,0,0,1,0,0|2,0,1]=4 343 B10R1.31 CC(=O)C1=CC=C(CO)O1 24280 [0,0,0,0,1,0|3,0,0]=4 344 B10R1.31 CSC1=CC=C(C(=O)O)S1 36164 [0,0,0,0,1,0|2,1,0]=4 345 B12R1.4 C=CC1=CC=C(OC(C)=O)C=C1 16000 [0,0,0,0,0,1|1,0,1]=3 346 B12R1.4 CC(=O)NC1=CC=C(C#N)C=C1 13216 [0,0,0,0,0,1|2,0,0]=3 347 B12R1.4 CC(=O)Nc1ccc(C=O)cc1 7786 [0,0,0,0,0,1|2,0,0]=3 348 B12R1.4 CCC1=CC=C(CC(C)=O)C=C1 19953 [0,0,0,0,0,1|1,0,0]=2 349 B12R1.4 COC1=CC=C(CC(=O)O)C=C1 19844 [0,0,0,0,0,1|1,0,0]=2 350 B12R1.4 COC1=CC=C(C[C@@H](C)N)C=C1 36095 [0,0,0,0,0,1|1,0,1]=3 351 B12R1.4 COC1=CC=C(NC(=N)N)C=C1 22162 [0,0,0,0,0,1|2,0,0]=3 352 B12R1.4 COC1=CC=C(NC(C)=O)C=C1 3327 [0,0,0,0,0,1|0,0,0]=1 353 B12R1.4 CSC1=CC=C(CC(=O)O)C=C1 10785 [0,0,0,0,0,1|1,1,0]=3 354 B12R1.4 N#CC1=CC=C(CC(=O)O)C=C1 19712 [0,0,0,0,0,1|3,0,0]=4 355 B12R1.4 NCC1=CC=C(CC(=O)O)C=C1 31939 [0,0,0,0,0,1|3,0,0]=4 356 B12R1.4 O=C(O)CC1=CC=C(CBr)C=C1 16459 [0,0,0,0,0,1|3,0,0]=4 357 B12R1.4 O=C(O)CC1=CC=C(CO)C=C1 19630 [0,0,0,0,0,1|3,0,0]=4 358 B9R1.1 C#CC1=CC=C(C)C=C1 10922 [2,0,0,0,0,0|0,0,2]=4 359 B9R1.1 C=CC1=CC=C(Cl)C=C1 12659 [2,0,0,0,0,0|1,0,1]=4 360 B9R1.1 C=CC1=CC=C(N)C=C1 12625 [2,0,0,0,0,0|1,0,1]=4 361 B9R1.1 C=CC1=CN=C(C)C=C1 15153 [2,0,0,0,0,0|1,0,1]=4 362 B9R1.1 CC1=CC=C(C#N)C=C1 8168 [2,0,0,0,0,0|1,0,1]=4 363 B9R1.1 CC1=CC=C(C=O)C=C1 15497 [2,0,0,0,0,0|0,0,0]=2 364 B9R1.1 CC1=CC=C(CN)C=C1 10199 [2,0,0,0,0,0|1,0,1]=4 365 B9R1.1 CC1=CC=C(NN)C=C1 4500 [2,0,0,0,0,0|2,0,0]=4 366 B9R1.1 CC1=CN=C(C=O)C=C1 17169 [2,0,0,0,0,0|1,0,0]=3 367 B9R1.1 CC1=CN=C(C=O)C=N1 32176 [2,0,0,0,0,0|2,0,0]=4 368 B9R1.1 CC1=NC=C(C=O)C=C1 19463 [2,0,0,0,0,0|1,0,0]=3 369 B9R1.1 CCC1=CC=C(Br)C=C1 3772 [2,0,0,0,0,0|1,0,1]=4 370 B9R1.1 CCC1=CC=C(C)C=C1 21843 [2,0,0,0,0,0|0,0,1]=3 371 B9R1.1 CCC1=CC=C(I)C=C1 3877 [2,0,0,0,0,0|1,0,1]=4 372 B9R1.1 CCC1=CC=C(N)C=C1 26342 [2,0,0,0,0,0|1,0,1]=4 373 B9R1.1 CCC1=CC=C(O)C=C1 3874 [2,0,0,0,0,0|0,0,1]=3 374 B9R1.1 CCC1=CC=C(S)C=C1 6813 [2,0,0,0,0,0|0,1,1]=4 375 B9R1.1 CCC1=CN=C(C)C=C1 10482 [2,0,0,0,0,0|1,0,1]=4 376 B9R1.1 CCC1=CN=C(C)C=C1 18256 [2,0,0,0,0,0|1,0,1]=4 377 B9R1.1 CCc1ccc(F)cc1 22752 [2,0,0,0,0,0|1,0,1]=4 378 B9R1.1 CNC1=CC=C(Cl)C=C1 23344 [2,0,0,0,0,0|2,0,0]=4 379 B9R1.1 CNC1=CC=C(I)C=C1 28328 [2,0,0,0,0,0|2,0,0]=4 380 B9R1.1 COC1=CC=C(Br)C=C1 3726 [2,0,0,0,0,0|1,0,0]=3 381 B9R1.1 COC1=CC=C(C)N=C1 6640 [2,0,0,0,0,0|1,0,0]=3 382 B9R1.1 COC1=CC=C(Cl)C=C1 3616 [2,0,0,0,0,0|1,0,0]=3 383 B9R1.1 COC1=CC=C(F)C=C1 3475 [2,0,0,0,0,0|1,0,0]=3 384 B9R1.1 COC1=CC=C(I)C=C1 3911 [2,0,0,0,0,0|1,0,0]=3 385 B9R1.1 COC1=CC=C(N)C=C1 21392 [2,0,0,0,0,0|1,0,0]=3 386 B9R1.1 COC1=CC=C(N)C=C1 36098 [2,0,0,0,0,0|1,0,0]=3 387 B9R1.1 COC1=CC=C(O)C=C1 14584 [2,0,0,0,0,0|0,0,1]=3 388 B9R1.1 COC1=CC=C(O)C=C1 2276 [2,0,0,0,0,0|0,0,1]=3 389 B9R1.1 COC1=CC=C(S)C=C1 6822 [2,0,0,0,0,0|0,1,0]=3 390 B9R1.1 COC1=CC=[N+]([O-])C=C1 2587 [2,0,0,0,0,0|1,0,1]=4 391 B9R1.1 COC1=CN=C(Br)C=C1 15210 [2,0,0,0,0,0|2,0,0]=4 392 B9R1.1 COC1=CN=C(Cl)C=C1 6222 [2,0,0,0,0,0|2,0,0]=4 393 B9R1.1 COC1=CN=C(F)C=C1 33665 [2,0,0,0,0,0|2,0,0]=4 394 B9R1.1 COC1=CN=C(N)C=C1 23280 [2,0,0,0,0,0|2,0,0]=4 395 B9R1.1 COC1=NC=C(Br)C=C1 2408 [2,0,0,0,0,0|2,0,0]=4 396 B9R1.1 COC1=NC=C(C)C=C1 6609 [2,0,0,0,0,0|1,0,0]=3 397 B9R1.1 COC1=NC=C(Cl)C=C1 6602 [2,0,0,0,0,0|2,0,0]=4 398 B9R1.1 COC1=NC=C(F)C=C1 11248 [2,0,0,0,0,0|2,0,0]=4 399 B9R1.1 COC1=NC=C(I)C=C1 6606 [2,0,0,0,0,0|2,0,0]=4 400 B9R1.1 COC1=NC=C(N)C=C1 1270 [2,0,0,0,0,0|2,0,0]=4 401 B9R1.1 COC1=NC=C(O)C=C1 16171 [2,0,0,0,0,0|1,0,1]=4 402 B9R1.1 CSC1=CC=C(Br)C=C1 10650 [2,0,0,0,0,0|1,1,0]=4 403 B9R1.1 CSC1=CC=C(C)C=C1 10672 [2,0,0,0,0,0|0,1,0]=3 404 B9R1.1 CSC1=CC=C(Cl)C=C1 10645 [2,0,0,0,0,0|1,1,0]=4 405 B9R1.1 CSC1=CC=C(F)C=C1 10641 [2,0,0,0,0,0|1,1,0]=4 406 B9R1.1 CSC1=CC=C(I)C=C1 10670 [2,0,0,0,0,0|1,1,0]=4 407 B9R1.1 CSC1=CC=C(N)C=C1 10636 [2,0,0,0,0,0|1,1,0]=4 408 B9R1.1 CSC1=CC=C(O)C=C1 15277 [2,0,0,0,0,0|1,0,0]=3 409 B9R1.1 CSC1=CC=C(S)C=C1 6825 [2,0,0,0,0,0|0,2,0]=4 410 B9R1.1 NC1=CC=C(C=O)C=C1 7795 [2,0,0,0,0,0|1,0,0]=3 411 B9R1.1 NCC1=CC=C(O)C=C1 26036 [2,0,0,0,0,0|1,0,1]=4 412 B9R1.1 O=CC1=CC=C(Br)C=C1 8053 [2,0,0,0,0,0|1,0,0]=3 413 B9R1.1 O=CC1=CC=C(Cl)C=C1 8078 [2,0,0,0,0,0|1,0,0]=3 414 B9R1.1 O=CC1=CC=C(Cl)N=C1 23354 [2,0,0,0,0,0|2,0,0]=4 415 B9R1.1 O=CC1=CC=C(F)C=C1 3478 [2,0,0,0,0,0|1,0,0]=3 416 B9R1.1 O=CC1=CC=C(I)C=C1 5349 [2,0,0,0,0,0|1,0,0]=3 417 B9R1.1 O=CC1=CC=C(O)C=C1 10188 [2,0,0,0,0,0|0,0,0]=2 418 B9R1.1 O=CC1=CN=C(Br)C=C1 1181 [2,0,0,0,0,0|2,0,0]=4 419 B9R1.1 O=CC1=CN=C(Cl)C=C1 9221 [2,0,0,0,0,0|2,0,0]=4 420 B9R1.1 O=CC1=CN=C(F)C=C1 5150 [2,0,0,0,0,0|2,0,0]=4 421 B9R1.1 O=CC1=CN=C(O)C=C1 17127 [2,0,0,0,0,0|1,0,0]=3 422 B9R1.1 O=CC1=NC=C(Br)C=C1 5059 [2,0,0,0,0,0|2,0,0]=4 423 B9R1.1 O=CC1=NC=C(Cl)C=C1 17153 [2,0,0,0,0,0|2,0,0]=4 424 B9R1.1 O=CC1=NC=C(F)C=C1 5149 [2,0,0,0,0,0|2,0,0]=4 425 B9R1.1 O=CC1=NC=C(O)C=C1 33708 [2,0,0,0,0,0|1,0,0]=3 426 B9R1.1 OCC1=CC=C(O)C=C1 29320 [2,0,0,0,0,0|0,0,2]=4 427 B9R1.6 CC(=O)C1=CC=CN=C1 1301 [2,0,0,0,0,0|1,0,0]=3 428 B9R1.6 CC(=O)C1=CC=CN=N1 16091 [2,0,0,0,0,0|2,0,0]=4 429 B9R1.6 CC(=O)C1=CC=NC=C1 7542 [2,0,0,0,0,0|1,0,0]=3 430 B9R1.6 CC(=O)C1=CN=CN=C1 13185 [2,0,0,0,0,0|2,0,0]=4 431 B9R1.6 CC(=O)C1=NC=CC=C1 13363 [2,0,0,0,0,0|1,0,0]=3 432 B9R1.6 CC(=O)C1=NC=CC=N1 19777 [2,0,0,0,0,0|2,0,0]=4 433 B9R1.6 CC(=O)C1=NC=CN=C1 8542 [2,0,0,0,0,0|2,0,0]=4 434 B9R1.6 CC(=O)C1=NC=NC=C1 33412 [2,0,0,0,0,0|2,0,0]=4 435 B9R1.6 CC(Cl)C1=CC=CC=C1 10204 [2,0,0,0,0,0|1,0,1]=4 436 B9R1.6 CC(N)C1=CC=CC=C1 21079 [2,0,0,0,0,0|1,0,1]=4 437 B9R1.6 CP(C)C1=CC=CC=C1 6420 [2,0,0,0,0,0|2,0,0]=4 438 B9R1.6 C[C@@H](N)c1ccccc1 6026 [2,0,0,0,0,0|1,0,1]=4 439 B9R1.6 C[C@@H](N)c1ccccc1 6060 [2,0,0,0,0,0|1,0,1]=4 440 B9R1.6 C[C@@H](N)c1ccccc1 9918 [2,0,0,0,0,0|1,0,1]=4 441 B9R1.6 C[C@@H](O)c1ccccc1 6851 [2,0,0,0,0,0|0,0,2]=4 442 B9R1.6 C[C@H](N)c1ccccc1 6025 [2,0,0,0,0,0|1,0,1]=4 443 B9R1.6 C[C@H](N)c1ccccc1 6061 [2,0,0,0,0,0|1,0,1]=4 444 B9R1.6 C[C@H](O)c1ccccc1 6858 [2,0,0,0,0,0|0,0,2]=4 445 B9R1.6 NC(=O)C1=CC=NC=C1 6888 [2,0,0,0,0,0|2,0,0]=4 446 B9R1.6 NC(=S)C1=CC=CC=C1 13565 [2,0,0,0,0,0|1,1,0]=4 447 B9R1.6 NC(=S)C1=CC=CC=C1 18582 [2,0,0,0,0,0|1,1,0]=4 448 B9R1.6 O=C(Cl)C1=CC=CC=C1 22045 [2,0,0,0,0,0|1,0,0]=3 449 B9R1.6 O=C(Cl)C1=CC=NC=C1 23974 [2,0,0,0,0,0|2,0,0]=4 450 B9R1.6 O=C(Cl)C1=CN=CC=C1 15186 [2,0,0,0,0,0|2,0,0]=4 451 B9R1.6 O=C(Cl)C1=NC=CC=C1 2059 [2,0,0,0,0,0|2,0,0]=4 452 B9R1.6 O=C(O)C1=CC=NC=C1 2595 [2,0,0,0,0,0|2,0,0]=4 453 B9R1.6 O=C(O)C1=CN=CC=C1 2594 [2,0,0,0,0,0|2,0,0]=4 454 B9R1.6 O=C(O)C1=NC=CC=C1 9774 [2,0,0,0,0,0|2,0,0]=4 455 B9R1.6 O=C([O-])C1=NC=CC=C1 20107 [2,0,0,0,0,0|2,0,0]=4 456 B9R1.6 OC(=S)C1=CC=CC=C1 36202 [2,0,0,0,0,0|1,0,1]=4 457 B11R1.83 CCOC1=CC=C(C=O)C=C1 13134 [1,1,0,0,0,0|0,0,0]=2 458 B11R1.83 CCOC1=CC=C(CC)C=C1 3172 [1,1,0,0,0,0|0,0,1]=3 459 B11R1.83 CCOC1=CC=C(CCl)C=C1 17445 [1,1,0,0,0,0|1,0,1]=4 460 B11R1.83 CCOC1=CC=C(CO)C=C1 27464 [1,1,0,0,0,0|0,0,2]=4 461 B11R1.83 CNCC1=CC=C(OC)C=C1 10499 [1,1,0,0,0,0|0,0,1]=3 462 B11R1.83 COC1=CC=C(CC#N)C=C1 20331 [1,1,0,0,0,0|0,0,2]=4 463 B11R1.83 COC1=CC=C(CC=O)C=C1 25207 [1,1,0,0,0,0|0,0,0]=2 464 B11R1.83 COC1=CC=C(CCN)C=C1 4589 [1,1,0,0,0,0|0,0,1]=3 465 B11R1.83 COC1=CC=C(N=C=O)C=C1 1920 [1,1,0,0,0,0|0,0,1]=3 466 B11R1.83 COC1=CC=C(OC#N)C=C1 20087 [1,1,0,0,0,0|1,0,1]=4 467 B11R1.83 C\C=C\C1=CC=C(OC)C=C1 35689 [1,1,0,0,0,0|0,0,0]=2 468 B11R1.279 CC1=C(C#N)C=CC(C=O)=C1 30973 [1,1,0,0,0,0|2,0,0]=4 469 B11R1.279 COC1=C(Br)C=C(C#N)C=C1 3795 [1,1,0,0,0,0|1,0,1]=4 470 B11R1.279 COC1=C(Br)C=C(C=O)C=C1 2643 [1,1,0,0,0,0|0,0,0]=2 471 B11R1.279 COC1=C(C)C=C(C=O)C=C1 14879 [1,1,0,0,0,0|0,0,0]=2 472 B11R1.279 COC1=C(C)C=C(CO)C=C1 24130 [1,1,0,0,0,0|0,0,2]=4 473 B11R1.279 COC1=C(Cl)C=C(C#N)C=C1 3661 [1,1,0,0,0,0|1,0,1]=4 474 B11R1.279 COC1=C(Cl)C=C(C=O)C=C1 2638 [1,1,0,0,0,0|0,0,0]=2 475 B11R1.279 COC1=C(Cl)C=C(CBr)C=C1 31299 [1,1,0,0,0,0|1,0,1]=4 476 B11R1.279 COC1=C(Cl)C=C(NN)C=C1 35436 [1,1,0,0,0,0|2,0,0]=4 477 B11R1.279 COC1=C(F)C=C(C#N)C=C1 18462 [1,1,0,0,0,0|1,0,1]=4 478 B11R1.279 COC1=C(F)C=C(C=O)C=C1 1448 [1,1,0,0,0,0|0,0,0]=2 479 B11R1.279 COC1=C(F)C=C(CBr)C=C1 4923 [1,1,0,0,0,0|1,0,1]=4 480 B11R1.279 COC1=C(N)C=C(C=O)C=C1 19765 [1,1,0,0,0,0|0,0,0]=2 481 B11R1.279 COC1=C(O)C=C(C#N)C=C1 4806 [1,1,0,0,0,0|1,0,1]=4 482 B11R1.279 COC1=C(O)C=C(C=O)C=C1 7770 [1,1,0,0,0,0|0,0,0]=2 483 B11R1.279 COC1=C(O)C=C(CO)C=C1 15050 [1,1,0,0,0,0|0,0,2]=4 484 B11R1.279 COC1=CC(Br)=C(C#N)C=C1 30831 [1,1,0,0,0,0|1,0,1]=4 485 B11R1.279 COC1=CC(Br)=C(C=O)C=C1 12556 [1,1,0,0,0,0|0,0,0]=2 486 B11R1.279 COC1=CC(Br)=C(CBr)C=C1 31331 [1,1,0,0,0,0|1,0,1]=4 487 B11R1.279 COC1=CC(Br)=C(OC)C=C1 19785 [1,1,0,0,0,0|1,0,0]=3 488 B11R1.279 COC1=CC(C)=C(C#N)C=C1 25451 [1,1,0,0,0,0|1,0,1]=4 489 B11R1.279 COC1=CC(C)=C(C=O)C=C1 30912 [1,1,0,0,0,0|0,0,0]=2 490 B11R1.279 COC1=CC(C)=C(OC)C=C1 4543 [1,1,0,0,0,0|1,0,0]=3 491 B11R1.279 COC1=CC(Cl)=C(C#N)C=C1 4729 [1,1,0,0,0,0|1,0,1]=4 492 B11R1.279 COC1=CC(Cl)=C(C=O)C=C1 27587 [1,1,0,0,0,0|0,0,0]=2 493 B11R1.279 COC1=CC(Cl)=C(C=O)C=C1 30888 [1,1,0,0,0,0|0,0,0]=2 494 B11R1.279 COC1=CC(Cl)=C(CBr)C=C1 31270 [1,1,0,0,0,0|1,0,1]=4 495 B11R1.279 COC1=CC(F)=C(C#N)C=C1 4783 [1,1,0,0,0,0|1,0,1]=4 496 B11R1.279 COC1=CC(F)=C(C=O)C=C1 1447 [1,1,0,0,0,0|0,0,0]=2 497 B11R1.279 COC1=CC(F)=C(CBr)C=C1 24293 [1,1,0,0,0,0|1,0,1]=4 498 B11R1.279 COC1=CC(F)=C(CCl)C=C1 25838 [1,1,0,0,0,0|1,0,1]=4 499 B11R1.279 COC1=CC(F)=C(CO)C=C1 7733 [1,1,0,0,0,0|0,0,2]=4 500 B11R1.279 COC1=CC(F)=C(NN)C=C1 11269 [1,1,0,0,0,0|2,0,0]=4 501 B11R1.279 COC1=CC(F)=C(OC)C=C1 3050 [1,1,0,0,0,0|1,0,0]=3 502 B11R1.279 COC1=CC(I)=C(C#N)C=C1 27647 [1,1,0,0,0,0|1,0,1]=4 503 B11R1.279 COC1=CC(N)=C(C#N)C=C1 30767 [1,1,0,0,0,0|1,0,1]=4 504 B11R1.279 COC1=CC(N)=C(OC)C=C1 25396 [1,1,0,0,0,0|1,0,0]=3 505 B11R1.279 COC1=CC(O)=C(C#N)C=C1 22496 [1,1,0,0,0,0|1,0,1]=4 506 B11R1.279 COC1=CC(O)=C(OC)C=C1 27372 [1,1,0,0,0,0|1,0,0]=3 507 B11R1.279 COC1=CC(S)=C(OC)C=C1 6852 [1,1,0,0,0,0|1,0,0]=3 508 B11R1.279 COC1=CC=C(C=O)C(O)=C1 8148 [1,1,0,0,0,0|0,0,0]=2 509 B11R1.279 COC1=NC(F)=C(C=O)C=C1 27963 [1,1,0,0,0,0|1,0,0]=3 510 B11R1.279 COC1=NC=C(C=O)C=C1Cl 17090 [1,1,0,0,0,0|1,0,0]=3 511 B11R1.279 COc1ccc(CN)cc1F 31259 [1,1,0,0,0,0|1,0,1]=4 512 B11R1.279 N#CC1=C(F)C=C(C=O)C=C1 30922 [1,1,0,0,0,0|2,0,0]=4 513 B11R1.279 N#CC1=CC(Br)=C(C=O)C=C1 27946 [1,1,0,0,0,0|2,0,0]=4 514 B11R1.279 N#CC1=CC(Cl)=C(C=O)C=C1 30938 [1,1,0,0,0,0|2,0,0]=4 515 B11R1.279 N#CC1=CC(F)=C(C=O)C=C1 16711 [1,1,0,0,0,0|2,0,0]=4 516 B11R1.279 N#CC1=CC(O)=C(C=O)C=C1 17223 [1,1,0,0,0,0|2,0,0]=4 517 B11R1.19 CC1=CC=C(C(C)(C)C)C=C1 36092 [1,1,0,0,0,0|1,0,1]=4 518 B11R1.19 CC1=CC=C(S(=O)(=O)Cl)C=C1 10215 [1,1,0,0,0,0|2,0,0]=4 519 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 11532 [1,1,0,0,0,0|2,0,0]=4 520 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 11533 [1,1,0,0,0,0|2,0,0]=4 521 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 12609 [1,1,0,0,0,0|2,0,0]=4 522 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 16860 [1,1,0,0,0,0|2,0,0]=4 523 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 16861 [1,1,0,0,0,0|2,0,0]=4 524 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 17362 [1,1,0,0,0,0|2,0,0]=4 525 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 19403 [1,1,0,0,0,0|2,0,0]=4 526 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 22148 [1,1,0,0,0,0|2,0,0]=4 527 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 22657 [1,1,0,0,0,0|2,0,0]=4 528 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 26313 [1,1,0,0,0,0|2,0,0]=4 529 B11R1.19 CC1=CC=C(S(=O)(=O)[O-])C=C1 14054 [1,1,0,0,0,0|2,0,0]=4 530 B11R1.19 CC1=CC=C(S(=O)(=O)[O-])C=C1 15907 [1,1,0,0,0,0|2,0,0]=4 531 B11R1.19 CC1=CC=C(S(=O)(=O)[O-])C=C1 25606 [1,1,0,0,0,0|2,0,0]=4 532 B11R1.19 CC1=CC=C(S(C)(=O)=O)C=C1 18694 [1,1,0,0,0,0|1,0,0]=3 533 B11R1.19 CC1=CC=C(S(N)(=O)=O)C=C1 35241 [1,1,0,0,0,0|2,0,0]=4 534 B11R1.19 CC1=CN=C(S(C)(=O)=O)C=C1 6580 [1,1,0,0,0,0|2,0,0]=4 535 B11R1.19 CS(=O)(=O)C1=CC=C(Br)C=C1 10858 [1,1,0,0,0,0|2,0,0]=4 536 B11R1.19 CS(=O)(=O)C1=CC=C(Cl)C=C1 10874 [1,1,0,0,0,0|2,0,0]=4 537 B11R1.19 CS(=O)(=O)C1=CC=C(F)C=C1 10873 [1,1,0,0,0,0|2,0,0]=4 538 B11R1.19 CS(=O)(=O)C1=CC=C(O)C=C1 10832 [1,1,0,0,0,0|1,0,0]=3 539 B11R1.19 NS(=O)(=O)C1=CC=C(O)C=C1 12595 [1,1,0,0,0,0|2,0,0]=4 540 B11R1.21 CC(=O)C1=CC(Br)=C(C)C=C1 29264 [1,1,0,0,0,0|0,0,0]=2 541 B11R1.21 CC(=O)C1=CC(Br)=C(Cl)C=C1 29259 [1,1,0,0,0,0|1,0,0]=3 542 B11R1.21 CC(=O)C1=CC(Br)=C(F)C=C1 4100 [1,1,0,0,0,0|1,0,0]=3 543 B11R1.21 CC(=O)C1=CC(Br)=C(N)C=C1 29246 [1,1,0,0,0,0|1,0,0]=3 544 B11R1.21 CC(=O)C1=CC(C)=C(Br)C=C1 29265 [1,1,0,0,0,0|1,0,0]=3 545 B11R1.21 CC(=O)C1=CC(C)=C(Cl)C=C1 24740 [1,1,0,0,0,0|1,0,0]=3 546 B11R1.21 CC(=O)C1=CC(C)=C(F)C=C1 19762 [1,1,0,0,0,0|1,0,0]=3 547 B11R1.21 CC(=O)C1=CC(C)=C(O)C=C1 15346 [1,1,0,0,0,0|0,0,0]=2 548 B11R1.21 CC(=O)C1=CC(Cl)=C(Br)C=C1 31191 [1,1,0,0,0,0|1,0,0]=3 549 B11R1.21 CC(=O)C1=CC(Cl)=C(Cl)C=C1 3383 [1,1,0,0,0,0|1,0,0]=3 550 B11R1.21 CC(=O)C1=CC(Cl)=C(F)C=C1 4202 [1,1,0,0,0,0|1,0,0]=3 551 B11R1.21 CC(=O)C1=CC(Cl)=C(N)C=C1 19715 [1,1,0,0,0,0|1,0,0]=3 552 B11R1.21 CC(=O)C1=CC(Cl)=C(O)C=C1 29271 [1,1,0,0,0,0|0,0,0]=2 553 B11R1.21 CC(=O)C1=CC(F)=C(Br)C=C1 25810 [1,1,0,0,0,0|1,0,0]=3 554 B11R1.21 CC(=O)C1=CC(F)=C(C)C=C1 29155 [1,1,0,0,0,0|0,0,0]=2 555 B11R1.21 CC(=O)C1=CC(F)=C(Cl)C=C1 28237 [1,1,0,0,0,0|1,0,0]=3 556 B11R1.21 CC(=O)C1=CC(F)=C(F)C=C1 3089 [1,1,0,0,0,0|1,0,0]=3 557 B11R1.21 CC(=O)C1=CC(F)=C(N)C=C1 24416 [1,1,0,0,0,0|1,0,0]=3 558 B11R1.21 CC(=O)C1=CC(F)=C(O)C=C1 3492 [1,1,0,0,0,0|0,0,0]=2 559 B11R1.21 CC(=O)C1=CC(N)=C(F)C=C1 7322 [1,1,0,0,0,0|1,0,0]=3 560 B11R1.21 CC(=O)C1=CC(O)=C(C)C=C1 31188 [1,1,0,0,0,0|0,0,0]=2 561 B11R1.21 CC(=O)C1=CC(O)=C(O)C=C1 3384 [1,1,0,0,0,0|0,0,0]=2 562 B11R1.21 CC(=O)c1ccc(Br)c(Br)c1 28245 [1,1,0,0,0,0|1,0,0]=3 563 B11R1.21 CC(=O)c1ccc(C)c(O)c1 24105 [1,1,0,0,0,0|0,0,0]=2 564 B11R1.21 CC(=O)c1ccc(Cl)c(N)c1 27504 [1,1,0,0,0,0|1,0,0]=3 565 B11R1.21 CC(C)C1=CC=C(O)C(O)=C1 26367 [1,1,0,0,0,0|1,0,1]=4 566 B11R1.21 CC1=C(Br)C=C(C(=O)O)C=C1 3806 [1,1,0,0,0,0|1,0,0]=3 567 B11R1.21 CC1=C(Br)C=C([N+](=O)[O-])C=C1 3822 [1,1,0,0,0,0|2,0,0]=4 568 B11R1.21 CC1=C(Br)C=CC(C(=O)O)=C1 3807 [1,1,0,0,0,0|2,0,0]=4 569 B11R1.21 CC1=C(Br)C=CC(C(N)=O)=C1 3804 [1,1,0,0,0,0|2,0,0]=4 570 B11R1.21 CC1=C(C)C=C(C(=O)O)C=C1 14893 [1,1,0,0,0,0|1,0,0]=3 571 B11R1.21 CC1=C(Cl)C=C(C(=O)O)C=C1 4569 [1,1,0,0,0,0|1,0,0]=3 572 B11R1.21 CC1=C(Cl)C=C([N+](=O)[O-])C=C1 15208 [1,1,0,0,0,0|2,0,0]=4 573 B11R1.21 CC1=C(Cl)C=CC(C(=O)Cl)=C1 28594 [1,1,0,0,0,0|2,0,0]=4 574 B11R1.21 CC1=C(Cl)C=CC(C(=O)Cl)=C1 30641 [1,1,0,0,0,0|2,0,0]=4 575 B11R1.21 CC1=C(Cl)C=CC(C(=O)O)=C1 3666 [1,1,0,0,0,0|2,0,0]=4 576 B11R1.21 CC1=C(F)C=C(C(=O)O)C=C1 1330 [1,1,0,0,0,0|1,0,0]=3 577 B11R1.21 CC1=C(F)C=C([N+](=O)[O-])C=C1 1592 [1,1,0,0,0,0|2,0,0]=4 578 B11R1.21 CC1=C(F)C=CC(C(=O)Cl)=C1 25412 [1,1,0,0,0,0|2,0,0]=4 579 B11R1.21 CC1=C(F)C=CC(C(=O)O)=C1 1397 [1,1,0,0,0,0|2,0,0]=4 580 B11R1.21 CC1=C(I)C=C(C(=O)Cl)C=C1 28676 [1,1,0,0,0,0|1,0,0]=3 581 B11R1.21 CC1=C(I)C=C(C(=O)O)C=C1 3947 [1,1,0,0,0,0|1,0,0]=3 582 B11R1.21 CC1=C(I)C=C([N+](=O)[O-])C=C1 3957 [1,1,0,0,0,0|2,0,0]=4 583 B11R1.21 CC1=C(I)C=CC(C(=O)O)=C1 3948 [1,1,0,0,0,0|2,0,0]=4 584 B11R1.21 CC1=C(N)C=C(C(=O)O)C=C1 8194 [1,1,0,0,0,0|1,0,0]=3 585 B11R1.21 CC1=C(N)C=C(C(C)C)C=C1 25919 [1,1,0,0,0,0|1,0,1]=4 586 B11R1.21 CC1=C(N)C=C(C(C)C)C=C1 28331 [1,1,0,0,0,0|1,0,1]=4 587 B11R1.21 CC1=C(N)C=C(C(N)=O)C=C1 35463 [1,1,0,0,0,0|1,0,0]=3 588 B11R1.21 CC1=C(N)C=C([N+](=O)[O-])C=C1 14022 [1,1,0,0,0,0|2,0,0]=4 589 B11R1.21 CC1=C(N)C=CC(C(=O)O)=C1 2067 [1,1,0,0,0,0|2,0,0]=4 590 B11R1.21 CC1=C(O)C=C(C(=O)O)C=C1 3890 [1,1,0,0,0,0|1,0,0]=3 591 B11R1.21 CC1=C(O)C=C(C(C)C)C=C1 10329 [1,1,0,0,0,0|1,0,1]=4 592 B11R1.21 CC1=C(O)C=C([N+](=O)[O-])C=C1 1484 [1,1,0,0,0,0|2,0,0]=4 593 B11R1.21 CC1=C(O)C=CC(C(=O)O)=C1 20044 [1,1,0,0,0,0|1,0,0]=3 594 B11R1.21 CC1=C(O)C=CC([N+](=O)[O-])=C1 17549 [1,1,0,0,0,0|2,0,0]=4 595 B11R1.21 NC(=O)C1=CC(Br)=C(F)C=C1 25391 [1,1,0,0,0,0|2,0,0]=4 596 B11R1.21 NC(=O)C1=CC(Cl)=C(Cl)C=C1 3462 [1,1,0,0,0,0|2,0,0]=4 597 B11R1.21 NC(=O)C1=CC(F)=C(F)C=C1 3459 [1,1,0,0,0,0|2,0,0]=4 598 B11R1.21 NC(=O)C1=CC(N)=C(Cl)C=C1 35464 [1,1,0,0,0,0|2,0,0]=4 599 B11R1.21 NC1=C(Br)C=C(C(=O)O)C=C1 3130 [1,1,0,0,0,0|2,0,0]=4 600 B11R1.21 NC1=C(Cl)C=CC(C(=O)O)=C1 8988 [1,1,0,0,0,0|2,0,0]=4 601 B11R1.21 NC1=C(F)C=C(C(=O)O)C=C1 3524 [1,1,0,0,0,0|2,0,0]=4 602 B11R1.21 NC1=C(F)C=CC(C(=O)O)=C1 4690 [1,1,0,0,0,0|2,0,0]=4 603 B11R1.21 NC1=C(I)C=C(C(=O)O)C=C1 14046 [1,1,0,0,0,0|2,0,0]=4 604 B11R1.21 NC1=C(N)C=C(C(=O)O)C=C1 29055 [1,1,0,0,0,0|2,0,0]=4 605 B11R1.21 NC1=C(O)C=C(C(=O)O)C=C1 14418 [1,1,0,0,0,0|2,0,0]=4 606 B11R1.21 NC1=C(O)C=CC(C(=O)O)=C1 20504 [1,1,0,0,0,0|1,0,0]=3 607 B11R1.21 NC1=C(O)C=CC([N+](=O)[O-])=C1 14489 [1,1,0,0,0,0|2,0,0]=4 608 B11R1.21 Nc1ccc(C(=O)O)cc1Cl 4652 [1,1,0,0,0,0|2,0,0]=4 609 B11R1.21 O=C(Cl)C1=CC(Br)=C(F)C=C1 25457 [1,1,0,0,0,0|2,0,0]=4 610 B11R1.21 O=C(Cl)C1=CC(Cl)=C(Cl)C=C1 26090 [1,1,0,0,0,0|2,0,0]=4 611 B11R1.21 O=C(Cl)C1=CC(F)=C(Cl)C=C1 28589 [1,1,0,0,0,0|2,0,0]=4 612 B11R1.21 O=C(Cl)C1=CC(F)=C(F)C=C1 14796 [1,1,0,0,0,0|2,0,0]=4 613 B11R1.21 O=C(O)C1=CC(Br)=C(Br)C=C1 28612 [1,1,0,0,0,0|2,0,0]=4 614 B11R1.21 O=C(O)C1=CC(Br)=C(Cl)C=C1 3585 [1,1,0,0,0,0|2,0,0]=4 615 B11R1.21 O=C(O)C1=CC(Br)=C(F)C=C1 1320 [1,1,0,0,0,0|2,0,0]=4 616 B11R1.21 O=C(O)C1=CC(Br)=C(I)C=C1 25903 [1,1,0,0,0,0|2,0,0]=4 617 B11R1.21 O=C(O)C1=CC(Br)=C(O)N=C1 9825 [1,1,0,0,0,0|2,0,0]=4 618 B11R1.21 O=C(O)C1=CC(Cl)=C(Br)C=C1 24806 [1,1,0,0,0,0|2,0,0]=4 619 B11R1.21 O=C(O)C1=CC(Cl)=C(Cl)C=C1 3686 [1,1,0,0,0,0|2,0,0]=4 620 B11R1.21 O=C(O)C1=CC(Cl)=C(F)C=C1 1334 [1,1,0,0,0,0|2,0,0]=4 621 B11R1.21 O=C(O)C1=CC(Cl)=C(O)C=C1 13038 [1,1,0,0,0,0|1,0,0]=3 622 B11R1.21 O=C(O)C1=CC(F)=C(Br)C=C1 1316 [1,1,0,0,0,0|2,0,0]=4 623 B11R1.21 O=C(O)C1=CC(F)=C(Cl)C=C1 1333 [1,1,0,0,0,0|2,0,0]=4 624 B11R1.21 O=C(O)C1=CC(F)=C(F)C=C1 1337 [1,1,0,0,0,0|2,0,0]=4 625 B11R1.21 O=C(O)C1=CC(F)=C(F)C=C1 29708 [1,1,0,0,0,0|2,0,0]=4 626 B11R1.21 O=C(O)C1=CC(F)=C(I)C=C1 1388 [1,1,0,0,0,0|2,0,0]=4 627 B11R1.21 O=C(O)C1=CC(F)=C(O)C=C1 2271 [1,1,0,0,0,0|1,0,0]=3 628 B11R1.21 O=C(O)C1=CC(I)=C(Br)C=C1 28092 [1,1,0,0,0,0|2,0,0]=4 629 B11R1.21 O=C(O)C1=CC(I)=C(Cl)C=C1 12500 [1,1,0,0,0,0|2,0,0]=4 630 B11R1.21 O=C(O)C1=CC(I)=C(F)C=C1 1390 [1,1,0,0,0,0|2,0,0]=4 631 B11R1.21 O=C(O)C1=CC(I)=C(I)C=C1 28093 [1,1,0,0,0,0|2,0,0]=4 632 B11R1.21 O=C(O)C1=CC(I)=C(O)C=C1 32382 [1,1,0,0,0,0|1,0,0]=3 633 B11R1.21 O=C(O)C1=CC(O)=C(Br)C=C1 17671 [1,1,0,0,0,0|2,0,0]=4 634 B11R1.21 O=C(O)C1=CC(O)=C(Cl)C=C1 14051 [1,1,0,0,0,0|2,0,0]=4 635 B11R1.21 O=C(O)C1=CC(O)=C(F)C=C1 3494 [1,1,0,0,0,0|2,0,0]=4 636 B11R1.21 O=C(O)C1=CC(O)=C(I)C=C1 28669 [1,1,0,0,0,0|2,0,0]=4 637 B11R1.21 O=C(O)C1=CC(O)=C(O)C=C1 9738 [1,1,0,0,0,0|1,0,0]=3 638 B11R1.21 O=C(O)C1=CN=C(O)C(Cl)=C1 10618 [1,1,0,0,0,0|2,0,0]=4 639 B11R1.21 O=[N+]([O-])C1=CC(Br)=C(O)C=C1 18622 [1,1,0,0,0,0|2,0,0]=4 640 B11R1.21 O=[N+]([O-])C1=CC(Cl)=C(O)C=C1 18908 [1,1,0,0,0,0|2,0,0]=4 641 B11R1.21 O=[N+]([O-])C1=CC(F)=C(O)C=C1 4122 [1,1,0,0,0,0|2,0,0]=4 642 B11R1.21 O=[N+]([O-])C1=CC(O)=C(O)C=C1 22910 [1,1,0,0,0,0|2,0,0]=4 643 B11R1.22 CC1=CC=C(C(=O)C=O)C=C1 12114 [1,1,0,0,0,0|0,0,1]=3 644 B11R1.22 CC1=CC=C(C(=O)CBr)C=C1 7423 [1,1,0,0,0,0|0,0,0]=2 645 B11R1.22 CC1=CC=C(C(=O)CN)C=C1 22351 [1,1,0,0,0,0|0,0,0]=2 646 B11R1.22 CC1=CC=C(C(=O)CN)C=C1 23893 [1,1,0,0,0,0|0,0,0]=2 647 B11R1.22 CC1=CC=C([C@H](O)CN)C=C1 19376 [1,1,0,0,0,0|0,0,2]=4 648 B11R1.22 CCC(=O)C1=CC=C(Br)C=C1 12477 [1,1,0,0,0,0|1,0,0]=3 649 B11R1.22 CCC(=O)C1=CC=C(C)C=C1 20971 [1,1,0,0,0,0|0,0,0]=2 650 B11R1.22 CCC(=O)C1=CC=C(Cl)C=C1 36050 [1,1,0,0,0,0|1,0,0]=3 651 B11R1.22 CCC(=O)C1=CC=C(F)C=C1 12578 [1,1,0,0,0,0|1,0,0]=3 652 B11R1.22 CCC(=O)C1=CC=C(N)C=C1 35537 [1,1,0,0,0,0|1,0,0]=3 653 B11R1.22 COC(=O)C1=CC=C(Br)C=C1 3962 [1,1,0,0,0,0|1,0,0]=3 654 B11R1.22 COC(=O)C1=CC=C(C)C=C1 15479 [1,1,0,0,0,0|0,0,0]=2 655 B11R1.22 COC(=O)C1=CC=C(C)N=N1 18664 [1,1,0,0,0,0|2,0,0]=4 656 B11R1.22 COC(=O)C1=CC=C(Cl)C=C1 3708 [1,1,0,0,0,0|1,0,0]=3 657 B11R1.22 COC(=O)C1=CC=C(F)C=C1 3566 [1,1,0,0,0,0|1,0,0]=3 658 B11R1.22 COC(=O)C1=CC=C(I)C=C1 20378 [1,1,0,0,0,0|1,0,0]=3 659 B11R1.22 COC(=O)C1=CC=C(N)C=C1 28506 [1,1,0,0,0,0|1,0,0]=3 660 B11R1.22 COC(=O)C1=CC=C(O)C=C1 27407 [1,1,0,0,0,0|0,0,0]=2 661 B11R1.22 COC(=O)C1=CC=C(O)C=C1 35335 [1,1,0,0,0,0|0,0,0]=2 662 B11R1.22 COC(=O)C1=CN=C(Br)C=C1 14326 [1,1,0,0,0,0|2,0,0]=4 663 B11R1.22 COC(=O)C1=CN=C(C)C=C1 13718 [1,1,0,0,0,0|1,0,0]=3 664 B11R1.22 COC(=O)C1=CN=C(C)N=C1 21597 [1,1,0,0,0,0|2,0,0]=4 665 B11R1.22 COC(=O)C1=CN=C(Cl)C=C1 13584 [1,1,0,0,0,0|2,0,0]=4 666 B11R1.22 COC(=O)C1=CN=C(F)C=C1 10629 [1,1,0,0,0,0|2,0,0]=4 667 B11R1.22 COC(=O)C1=CN=C(N)C=C1 2418 [1,1,0,0,0,0|2,0,0]=4 668 B11R1.22 COC(=O)C1=NC=C(Br)C=C1 10589 [1,1,0,0,0,0|2,0,0]=4 669 B11R1.22 COC(=O)C1=NC=C(O)N=C1 9107 [1,1,0,0,0,0|2,0,0]=4 670 B11R1.22 NC1=CC=C(C(=O)CBr)C=C1 29245 [1,1,0,0,0,0|1,0,0]=3 671 B11R1.22 NCC(=O)C1=CC=C(Br)C=C1 16820 [1,1,0,0,0,0|1,0,0]=3 672 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 16752 [1,1,0,0,0,0|1,0,0]=3 673 B11R1.22 NCC(=O)C1=CC=C(F)C=C1 22326 [1,1,0,0,0,0|1,0,0]=3 674 B11R1.22 NCC(O)C1=CC=C(O)C=C1 18242 [1,1,0,0,0,0|0,0,2]=4 675 B11R1.22 NNC(=O)C1=CC=C(Br)C=C1 3743 [1,1,0,0,0,0|2,0,0]=4 676 B11R1.22 NNC(=O)C1=CC=C(Cl)C=C1 3622 [1,1,0,0,0,0|2,0,0]=4 677 B11R1.22 NNC(=O)C1=CC=C(F)C=C1 3483 [1,1,0,0,0,0|2,0,0]=4 678 B11R1.22 NNC(=O)C1=CC=C(O)C=C1 3885 [1,1,0,0,0,0|1,0,0]=3 679 B11R1.22 O=C(CBr)C1=CC=C(Br)C=C1 16821 [1,1,0,0,0,0|1,0,0]=3 680 B11R1.22 O=C(CBr)C1=CC=C(Cl)C=C1 3260 [1,1,0,0,0,0|1,0,0]=3 681 B11R1.22 O=C(CBr)C1=CC=C(F)C=C1 13415 [1,1,0,0,0,0|1,0,0]=3 682 B11R1.22 O=C(CBr)C1=CC=C(I)C=C1 22524 [1,1,0,0,0,0|1,0,0]=3 683 B11R1.22 O=C(CBr)C1=CC=C(O)C=C1 3320 [1,1,0,0,0,0|0,0,0]=2 684 B11R1.22 O=C(CCl)C1=CC=C(Br)C=C1 7424 [1,1,0,0,0,0|1,0,0]=3 685 B11R1.22 O=C(CCl)C1=CC=C(Cl)C=C1 3372 [1,1,0,0,0,0|1,0,0]=3 686 B11R1.22 O=C(CCl)C1=CC=C(F)C=C1 3269 [1,1,0,0,0,0|1,0,0]=3 687 B11R1.22 O=C(CCl)C1=CC=C(O)C=C1 29269 [1,1,0,0,0,0|0,0,0]=2 688 B11R1.22 O=CC(=O)C1=CC=C(Br)C=C1 12103 [1,1,0,0,0,0|1,0,1]=4 689 B11R1.22 O=CC(=O)C1=CC=C(Br)C=C1 27268 [1,1,0,0,0,0|1,0,1]=4 690 B11R1.22 O=CC(=O)C1=CC=C(Cl)C=C1 12090 [1,1,0,0,0,0|1,0,1]=4 691 B11R1.22 O=CC(=O)C1=CC=C(F)C=C1 12088 [1,1,0,0,0,0|1,0,1]=4 692 B11R1.22 O=CC(=O)C1=CC=C(O)C=C1 12125 [1,1,0,0,0,0|0,0,1]=3 693 B11R1.166 CC(=O)C1=C(Br)C=C(Br)C=C1 29275 [1,1,0,0,0,0|1,0,0]=3 694 B11R1.166 CC(=O)C1=C(Br)C=C(Cl)C=C1 29258 [1,1,0,0,0,0|1,0,0]=3 695 B11R1.166 CC(=O)C1=C(Br)C=C(F)C=C1 8533 [1,1,0,0,0,0|1,0,0]=3 696 B11R1.166 CC(=O)C1=C(Br)C=C(N)C=C1 28228 [1,1,0,0,0,0|1,0,0]=3 697 B11R1.166 CC(=O)C1=C(Br)C=C(O)C=C1 29261 [1,1,0,0,0,0|0,0,0]=2 698 B11R1.166 CC(=O)C1=C(C)C=C(Br)C=C1 31226 [1,1,0,0,0,0|1,0,0]=3 699 B11R1.166 CC(=O)C1=C(C)C=C(C)C=C1 3376 [1,1,0,0,0,0|0,0,0]=2 700 B11R1.166 CC(=O)C1=C(C)C=C(Cl)C=C1 29273 [1,1,0,0,0,0|1,0,0]=3 701 B11R1.166 CC(=O)C1=C(C)C=C(O)C=C1 24792 [1,1,0,0,0,0|0,0,0]=2 702 B11R1.166 CC(=O)C1=C(Cl)C=C(Br)C=C1 3265 [1,1,0,0,0,0|1,0,0]=3 703 B11R1.166 CC(=O)C1=C(Cl)C=C(Cl)C=C1 13619 [1,1,0,0,0,0|1,0,0]=3 704 B11R1.166 CC(=O)C1=C(Cl)C=C(F)C=C1 4187 [1,1,0,0,0,0|1,0,0]=3 705 B11R1.166 CC(=O)C1=C(Cl)C=C(O)C=C1 28238 [1,1,0,0,0,0|0,0,0]=2 706 B11R1.166 CC(=O)C1=C(Cl)C=C(O)C=C1 29270 [1,1,0,0,0,0|0,0,0]=2 707 B11R1.166 CC(=O)C1=C(F)C=C(Br)C=C1 24789 [1,1,0,0,0,0|1,0,0]=3 708 B11R1.166 CC(=O)C1=C(F)C=C(Cl)C=C1 4207 [1,1,0,0,0,0|1,0,0]=3 709 B11R1.166 CC(=O)C1=C(F)C=C(F)C=C1 4213 [1,1,0,0,0,0|1,0,0]=3 710 B11R1.166 CC(=O)C1=C(F)C=C(O)C=C1 24419 [1,1,0,0,0,0|0,0,0]=2 711 B11R1.166 CC(=O)C1=C(N)C=C(Cl)C=C1 36301 [1,1,0,0,0,0|1,0,0]=3 712 B11R1.166 CC(=O)C1=C(N)C=C(F)C=C1 27374 [1,1,0,0,0,0|1,0,0]=3 713 B11R1.166 CC(=O)C1=C(O)C=C(Br)C=C1 19929 [1,1,0,0,0,0|1,0,0]=3 714 B11R1.166 CC(=O)C1=C(O)C=C(C)C=C1 16935 [1,1,0,0,0,0|0,0,0]=2 715 B11R1.166 CC(=O)C1=C(O)C=C(Cl)C=C1 29061 [1,1,0,0,0,0|1,0,0]=3 716 B11R1.166 CC(=O)C1=C(O)C=C(F)C=C1 13252 [1,1,0,0,0,0|1,0,0]=3 717 B11R1.166 CC(=O)C1=C(O)C=C(N)C=C1 28229 [1,1,0,0,0,0|1,0,0]=3 718 B11R1.166 CC(=O)C1=C(O)C=C(O)C=C1 3375 [1,1,0,0,0,0|0,0,0]=2 719 B11R1.166 CC(=O)C1=CC=C(F)N=C1F 18362 [1,1,0,0,0,0|2,0,0]=4 720 B11R1.166 CC(=O)C1=NC=C(F)C=C1F 24328 [1,1,0,0,0,0|2,0,0]=4 721 B11R1.166 CC(C)C1=C(O)C=C(O)C=C1 35906 [1,1,0,0,0,0|1,0,1]=4 722 B11R1.166 CC1=C(C(=O)O)C=CC(Br)=C1 4029 [1,1,0,0,0,0|2,0,0]=4 723 B11R1.166 CC1=C(C(=O)O)C=CC(Cl)=C1 4570 [1,1,0,0,0,0|2,0,0]=4 724 B11R1.166 CC1=C(C(=O)O)C=CC(F)=C1 1327 [1,1,0,0,0,0|2,0,0]=4 725 B11R1.166 CC1=C(C(=O)O)C=CC(N)=C1 10924 [1,1,0,0,0,0|2,0,0]=4 726 B11R1.166 CC1=CC(Br)=C(C(=O)O)C=C1 4719 [1,1,0,0,0,0|1,0,0]=3 727 B11R1.166 CC1=CC(Br)=C(N(C)C)C=C1 5342 [1,1,0,0,0,0|2,0,0]=4 728 B11R1.166 CC1=CC(Br)=C([N+](=O)[O-])C=C1 31562 [1,1,0,0,0,0|2,0,0]=4 729 B11R1.166 CC1=CC(C)=C(C(=O)O)C=C1 15441 [1,1,0,0,0,0|1,0,0]=3 730 B11R1.166 CC1=CC(Cl)=C(C(=O)O)C=C1 4567 [1,1,0,0,0,0|1,0,0]=3 731 B11R1.166 CC1=CC(Cl)=C([N+](=O)[O-])C=C1 4534 [1,1,0,0,0,0|2,0,0]=4 732 B11R1.166 CC1=CC(F)=C(C(=O)O)C=C1 1395 [1,1,0,0,0,0|1,0,0]=3 733 B11R1.166 CC1=CC(F)=C([N+](=O)[O-])C=C1 1595 [1,1,0,0,0,0|2,0,0]=4 734 B11R1.166 CC1=CC(I)=C(C(=O)O)C=C1 30572 [1,1,0,0,0,0|1,0,0]=3 735 B11R1.166 CC1=CC(N)=C(C(=O)O)C=C1 4952 [1,1,0,0,0,0|1,0,0]=3 736 B11R1.166 CC1=CC(N)=C(C(N)=O)C=C1 4030 [1,1,0,0,0,0|1,0,0]=3 737 B11R1.166 CC1=CC(N)=C([N+](=O)[O-])C=C1 25695 [1,1,0,0,0,0|2,0,0]=4 738 B11R1.166 CC1=CC(O)=C([N+](=O)[O-])C=C1 25410 [1,1,0,0,0,0|2,0,0]=4 739 B11R1.166 CC1=CC(O)=CC=C1[N+](=O)[O-] 21648 [1,1,0,0,0,0|2,0,0]=4 740 B11R1.166 CC1=CC=C(C(=O)O)C(O)=C1 18270 [1,1,0,0,0,0|1,0,0]=3 741 B11R1.166 CC1=CC=C(C(=O)O)C(O)=N1 26524 [1,1,0,0,0,0|2,0,0]=4 742 B11R1.166 CC1=NC(Cl)=C(C(=O)O)C=C1 11019 [1,1,0,0,0,0|2,0,0]=4 743 B11R1.166 NC(=O)C1=C(Br)C=C(Br)C=C1 28771 [1,1,0,0,0,0|2,0,0]=4 744 B11R1.166 NC(=O)C1=C(Cl)C=C(O)C=C1 31609 [1,1,0,0,0,0|1,0,0]=3 745 B11R1.166 NC(=O)C1=C(F)C=C(F)C=C1 3458 [1,1,0,0,0,0|2,0,0]=4 746 B11R1.166 NC(=O)C1=C(N)C=C(Cl)C=C1 25784 [1,1,0,0,0,0|2,0,0]=4 747 B11R1.166 NC1=C(C(=O)O)C=CC(Br)=C1 13462 [1,1,0,0,0,0|2,0,0]=4 748 B11R1.166 NC1=C(C(=O)O)C=CC(Cl)=C1 11211 [1,1,0,0,0,0|2,0,0]=4 749 B11R1.166 NC1=C(C(=O)O)C=CC(F)=C1 1323 [1,1,0,0,0,0|2,0,0]=4 750 B11R1.166 NC1=C(C(=O)O)C=CC(I)=C1 22552 [1,1,0,0,0,0|2,0,0]=4 751 B11R1.166 NC1=CC(Cl)=C(C(=O)O)C=C1 3109 [1,1,0,0,0,0|2,0,0]=4 752 B11R1.166 NC1=CC(F)=C(C(=O)O)C=C1 4693 [1,1,0,0,0,0|2,0,0]=4 753 B11R1.166 NC1=CC(O)=C(C(=O)O)C=C1 23542 [1,1,0,0,0,0|2,0,0]=4 754 B11R1.166 O=C(Cl)C1=C(F)C=C(Br)C=C1 25458 [1,1,0,0,0,0|2,0,0]=4 755 B11R1.166 O=C(Cl)C1=C(F)C=C(F)C=C1 35111 [1,1,0,0,0,0|2,0,0]=4 756 B11R1.166 O=C(O)C1=C(Br)C=C(Br)C=C1 3856 [1,1,0,0,0,0|2,0,0]=4 757 B11R1.166 O=C(O)C1=C(Br)C=C(Cl)C=C1 4028 [1,1,0,0,0,0|2,0,0]=4 758 B11R1.166 O=C(O)C1=C(Br)C=C(F)C=C1 1314 [1,1,0,0,0,0|2,0,0]=4 759 B11R1.166 O=C(O)C1=C(Cl)C=C(Br)C=C1 3586 [1,1,0,0,0,0|2,0,0]=4 760 B11R1.166 O=C(O)C1=C(Cl)C=C(Cl)C=C1 21313 [1,1,0,0,0,0|2,0,0]=4 761 B11R1.166 O=C(O)C1=C(Cl)C=C(F)C=C1 1370 [1,1,0,0,0,0|2,0,0]=4 762 B11R1.166 O=C(O)C1=C(Cl)C=C(I)C=C1 10153 [1,1,0,0,0,0|2,0,0]=4 763 B11R1.166 O=C(O)C1=C(Cl)C=C(O)C=C1 4561 [1,1,0,0,0,0|1,0,0]=3 764 B11R1.166 O=C(O)C1=C(F)C=C(Br)C=C1 1313 [1,1,0,0,0,0|2,0,0]=4 765 B11R1.166 O=C(O)C1=C(F)C=C(Cl)C=C1 1374 [1,1,0,0,0,0|2,0,0]=4 766 B11R1.166 O=C(O)C1=C(F)C=C(F)C=C1 1336 [1,1,0,0,0,0|2,0,0]=4 767 B11R1.166 O=C(O)C1=C(F)C=C(I)C=C1 1384 [1,1,0,0,0,0|2,0,0]=4 768 B11R1.166 O=C(O)C1=C(F)C=C(O)C=C1 2608 [1,1,0,0,0,0|1,0,0]=3 769 B11R1.166 O=C(O)C1=C(I)C=C(Br)C=C1 13466 [1,1,0,0,0,0|2,0,0]=4 770 B11R1.166 O=C(O)C1=C(I)C=C(Cl)C=C1 4018 [1,1,0,0,0,0|2,0,0]=4 771 B11R1.166 O=C(O)C1=C(I)C=C(F)C=C1 1389 [1,1,0,0,0,0|2,0,0]=4 772 B11R1.166 O=C(O)C1=C(I)C=C(O)C=C1 27646 [1,1,0,0,0,0|1,0,0]=3 773 B11R1.166 O=C(O)C1=C(O)C=C(Br)C=C1 4010 [1,1,0,0,0,0|2,0,0]=4 774 B11R1.166 O=C(O)C1=C(O)C=C(Cl)C=C1 3845 [1,1,0,0,0,0|2,0,0]=4 775 B11R1.166 O=C(O)C1=C(O)C=C(F)C=C1 3493 [1,1,0,0,0,0|2,0,0]=4 776 B11R1.166 O=C(O)C1=C(O)C=C(I)C=C1 3888 [1,1,0,0,0,0|2,0,0]=4 777 B11R1.166 O=C([O-])C1=C(F)C=C(F)C=C1 29707 [1,1,0,0,0,0|2,0,0]=4 778 B11R1.166 O=[N+]([O-])C1=C(Br)C=C(O)C=C1 33263 [1,1,0,0,0,0|2,0,0]=4 779 B11R1.166 O=[N+]([O-])C1=C(Cl)C=C(O)C=C1 28366 [1,1,0,0,0,0|2,0,0]=4 780 B11R1.166 O=[N+]([O-])C1=C(F)C=C(O)C=C1 2101 [1,1,0,0,0,0|2,0,0]=4 781 B11R1.166 O=[N+]([O-])C1=C(O)C=C(O)C=C1 27732 [1,1,0,0,0,0|2,0,0]=4 782 B13R1.5 COC(=O)CC1=CC=C(C=O)C=C1 31476 [0,1,0,0,0,1|2,0,0]=4 783 B13R1.5 COC(=O)CC1=CC=C(CN)C=C1 31843 [0,1,0,0,0,1|2,0,0]=4 784 B13R1.5 COC(=O)CC1=CC=C(CN)C=C1 31845 [0,1,0,0,0,1|2,0,0]=4 785 B13R1.5 COC(=O)Cc1ccc(C#N)cc1 19607 [0,1,0,0,0,1|2,0,0]=4 786 B13R1.35 COC1=C(Br)C=C(CC(=O)O)C=C1 12491 [0,1,0,0,0,1|1,0,0]=3 787 B13R1.35 COC1=C(C)C=C(CC(=O)O)C=C1 4198 [0,1,0,0,0,1|1,0,0]=3 788 B13R1.35 COC1=C(C)C=C(CC(C)=O)C=C1 24859 [0,1,0,0,0,1|0,0,0]=2 789 B13R1.35 COC1=C(F)C=C(CC(=O)O)C=C1 4170 [0,1,0,0,0,1|1,0,0]=3 790 B13R1.35 COC1=C(N)C=C(NC(C)=O)C=C1 25482 [0,1,0,0,0,1|0,0,0]=2 791 B13R1.35 COC1=C(O)C=C(CC(=O)O)C=C1 3998 [0,1,0,0,0,1|1,0,0]=3 792 B13R1.36 COC1=CC=C([C@@H](O)C(=O)O)C=C1 15953 [0,1,0,0,0,1|1,0,0]=3 793 B13R1.36 COC1=CC=C([C@H](O)C(=O)O)C=C1 16007 [0,1,0,0,0,1|1,0,0]=3 794 B13R1.142 CCOC1=CC=C(NC(C)=O)C=C1 35817 [0,1,0,0,0,1|0,0,0]=2 795 B13R1.142 COCC1=CC=C(CC(=O)O)C=C1 31842 [0,1,0,0,0,1|1,0,0]=3 796 B13R1.585 CC(=O)CC1=CC=C([N+](=O)[O-])C=C1 18646 [0,1,0,0,0,1|2,0,0]=4 797 B13R1.585 CC(=O)NC1=CC=C(B(O)O)C=C1 6131 [0,1,0,0,0,1|2,0,0]=4 798 B13R1.585 CC(=O)NC1=CC=C(C(=O)O)C=C1 23823 [0,1,0,0,0,1|2,0,0]=4 799 B13R1.585 CC(=O)NC1=CC=C(C(C)=O)C=C1 12559 [0,1,0,0,0,1|1,0,0]=3 800 B13R1.585 CC(=O)NC1=CC=C([N+](=O)[O-])C=C1 31967 [0,1,0,0,0,1|2,0,0]=4 801 B13R1.585 CC(=O)OC1=CC=C(B(O)O)C=C1 20170 [0,1,0,0,0,1|2,0,0]=4 802 B13R1.585 CC(=O)OC1=CC=C(C(=O)O)C=C1 13099 [0,1,0,0,0,1|2,0,0]=4 803 B13R1.585 CN(C)C1=CC=C(CC(=O)O)C=C1 36113 [0,1,0,0,0,1|2,0,0]=4 804 B13R1.653 COC1=CC(Br)=C(CC(=O)O)C=C1 3983 [0,1,0,0,0,1|1,0,0]=3 805 B13R1.653 COC1=CC(Br)=C(OC(C)=O)C=C1 5303 [0,1,0,0,0,1|0,0,0]=2 806 B13R1.653 COC1=CC(Cl)=C(CC(=O)O)C=C1 10958 [0,1,0,0,0,1|1,0,0]=3 807 B13R1.653 COC1=CC(F)=C(CC(=O)O)C=C1 4172 [0,1,0,0,0,1|1,0,0]=3 808 B13R1.39 COC1=CC=C(C(OC)OC)C=C1 16858 [0,2,0,0,0,0|0,0,2]=4 809 B13R1.95 COC(=O)C1=C(Br)C=C(C#N)C=C1 30580 [0,2,0,0,0,0|2,0,0]=4 810 B13R1.95 COC(=O)C1=C(Br)C=C(CBr)C=C1 14021 [0,2,0,0,0,0|2,0,0]=4 811 B13R1.95 COC(=O)C1=C(Br)C=C(OC)C=C1 30681 [0,2,0,0,0,0|0,0,0]=2 812 B13R1.95 COC(=O)C1=C(C)C=C(C#N)C=C1 30526 [0,2,0,0,0,0|2,0,0]=4 813 B13R1.95 COC(=O)C1=C(C)C=C(OC)C=C1 30625 [0,2,0,0,0,0|0,0,0]=2 814 B13R1.95 COC(=O)C1=C(Cl)C=C(C#N)C=C1 28581 [0,2,0,0,0,0|2,0,0]=4 815 B13R1.95 COC(=O)C1=C(Cl)C=C(C=O)C=C1 30739 [0,2,0,0,0,0|2,0,0]=4 816 B13R1.95 COC(=O)C1=C(F)C=C(C#N)C=C1 28603 [0,2,0,0,0,0|2,0,0]=4 817 B13R1.95 COC(=O)C1=C(F)C=C(C=O)C=C1 30583 [0,2,0,0,0,0|2,0,0]=4 818 B13R1.95 COC(=O)C1=C(F)C=C(OC)C=C1 3568 [0,2,0,0,0,0|0,0,0]=2 819 B13R1.95 COC(=O)C1=C(N)C=C(C#N)C=C1 30577 [0,2,0,0,0,0|2,0,0]=4 820 B13R1.95 COC(=O)C1=C(N)C=C(OC)C=C1 30495 [0,2,0,0,0,0|0,0,0]=2 821 B13R1.95 COC1=CC(F)=C(C(=O)CBr)C=C1 31202 [0,2,0,0,0,0|0,0,0]=2 822 B13R1.139 CCOC1=CC=C(C(=O)C=O)C=C1 12346 [0,2,0,0,0,0|0,0,1]=3 823 B13R1.139 COC(=O)C1=CC=C(CC#N)C=C1 13649 [0,2,0,0,0,0|1,0,1]=4 824 B13R1.139 COC(=O)C1=CC=C(CCBr)C=C1 30516 [0,2,0,0,0,0|1,0,0]=3 825 B13R1.139 COC(=O)C1=CC=C(N=C=O)C=C1 28900 [0,2,0,0,0,0|1,0,1]=4 826 B13R1.452 COC1=CC=C(C(=O)CC#N)C=C1 10102 [0,2,0,0,0,0|0,0,0]=2 827 B13R1.452 COC1=CC=C(C(=O)CCCl)C=C1 31186 [0,2,0,0,0,0|0,0,0]=2 828 B13R1.452 COC1=CC=C([C@H](N)CCO)C=C1 35532 [0,2,0,0,0,0|1,0,1]=4 829 B13R1.452 N#CCC(=O)C1=CC=C(C#N)C=C1 11993 [0,2,0,0,0,0|2,0,0]=4 830 B13R1.537 CCC(=O)C1=CC=C(B(O)O)C=C1 32653 [0,2,0,0,0,0|2,0,0]=4 831 B13R1.537 CN(C)C1=CC=C(C(=O)C=O)C=C1 12238 [0,2,0,0,0,0|1,0,1]=4 832 B13R1.537 CNC(=O)C1=CC=C(B(O)O)C=C1 32649 [0,2,0,0,0,0|2,0,0]=4 833 B13R1.537 COC(=O)C1=CC=C(B(O)O)C=C1 6095 [0,2,0,0,0,0|2,0,0]=4 834 B13R1.537 COC(=O)C1=CC=C(C(=O)Cl)C=C1 4000 [0,2,0,0,0,0|1,0,0]=3 835 B13R1.537 COC(=O)C1=CC=C(C(=O)[O-])C=C1 13264 [0,2,0,0,0,0|1,0,0]=3 836 B13R1.537 COC(=O)C1=CC=C([C@@H](C)N)C=C1 24248 [0,2,0,0,0,0|1,0,0]=3 837 B13R1.537 COC(=O)C1=CC=C([C@H](C)N)C=C1 21390 [0,2,0,0,0,0|1,0,0]=3 838 B13R1.537 COC(=O)C1=CC=C([C@H](C)N)C=C1 21391 [0,2,0,0,0,0|1,0,0]=3 839 B13R1.537 COC(=O)C1=CC=C([N+](=O)[O-])C=C1 26389 [0,2,0,0,0,0|2,0,0]=4 840 B13R1.537 COC(=O)C1=CN=C(C(=O)O)C=C1 26496 [0,2,0,0,0,0|2,0,0]=4 841 B13R1.537 COC(=O)c1ccc(C(C)=O)cc1 22273 [0,2,0,0,0,0|0,0,0]=2 842 B13R1.537 O=C(CBr)C1=CC=C([N+](=O)[O-])C=C1 3198 [0,2,0,0,0,0|2,0,0]=4 843 B13R1.537 O=C(O)C1=CC=C(C(=O)CBr)C=C1 28542 [0,2,0,0,0,0|2,0,0]=4 844 B13R1.3088 CCC(=O)C1=CC(F)=C(OC)C=C1 31236 [0,2,0,0,0,0|0,0,0]=2 845 B13R1.3088 COC(=O)C1=CC(Br)=C(C#N)C=C1 30655 [0,2,0,0,0,0|2,0,0]=4 846 B13R1.3088 COC(=O)C1=CC(C)=C(C#N)C=C1 28608 [0,2,0,0,0,0|2,0,0]=4 847 B13R1.3088 COC(=O)C1=CC(C)=C(C=O)C=C1 30666 [0,2,0,0,0,0|2,0,0]=4 848 B13R1.3088 COC(=O)C1=CC(Cl)=C(C#N)C=C1 28582 [0,2,0,0,0,0|2,0,0]=4 849 B13R1.3088 COC(=O)C1=CC(Cl)=C(C=O)C=C1 30588 [0,2,0,0,0,0|2,0,0]=4 850 B13R1.3088 COC(=O)C1=CC(Cl)=C(CBr)C=C1 30523 [0,2,0,0,0,0|2,0,0]=4 851 B13R1.3088 COC(=O)C1=CC(F)=C(C#N)C=C1 14063 [0,2,0,0,0,0|2,0,0]=4 852 B13R1.3088 COC(=O)C1=CC(F)=C(C=O)C=C1 30589 [0,2,0,0,0,0|2,0,0]=4 853 B13R1.3088 COC(=O)C1=CC(F)=C(CBr)C=C1 30665 [0,2,0,0,0,0|2,0,0]=4 854 B13R1.3088 COC(=O)C1=CC(F)=C(CO)C=C1 30658 [0,2,0,0,0,0|2,0,0]=4 855 B13R1.3088 COC(=O)C1=CC(F)=C(OC)C=C1 3569 [0,2,0,0,0,0|0,0,0]=2 856 B13R1.3088 COC(=O)C1=CC(I)=C(OC)C=C1 30720 [0,2,0,0,0,0|0,0,0]=2 857 B13R1.3088 COC(=O)C1=CC(N)=C(C#N)C=C1 30653 [0,2,0,0,0,0|2,0,0]=4 858 B13R1.3088 COC(=O)C1=CC(N)=C(OC)C=C1 2033 [0,2,0,0,0,0|0,0,0]=2 859 B13R1.3088 COC(=O)C1=CC(O)=C(C#N)C=C1 30760 [0,2,0,0,0,0|2,0,0]=4 860 B13R1.3088 COC(=O)C1=CC(O)=C(OC)C=C1 27190 [0,2,0,0,0,0|0,0,0]=2 861 B13R1.3088 COC(=O)C1=CN=C(OC)C(Br)=C1 34471 [0,2,0,0,0,0|1,0,0]=3 862 B13R1.3088 COC(=O)C1=CN=C(OC)C(Cl)=C1 34214 [0,2,0,0,0,0|1,0,0]=3 863 B13R1.3088 COC(=O)C1=CN=C(OC)C(O)=C1 34470 [0,2,0,0,0,0|1,0,0]=3 864 B13R1.3088 COC1=C(Br)C=C(C(=O)CBr)C=C1 31203 [0,2,0,0,0,0|0,0,0]=2 865 B13R1.38 COC1=C(C)C=C(S(=O)(=O)Cl)C=C1 5542 [0,2,0,0,0,0|2,0,0]=4 866 B13R1.38 COC1=C(F)C=C(S(=O)(=O)Cl)C=C1 5161 [0,2,0,0,0,0|2,0,0]=4 867 B13R1.38 COC1=CC=C(S(=O)(=O)Cl)C=C1C 5543 [0,2,0,0,0,0|2,0,0]=4 868 B13R1.140 CCOC1=CC=C(S(=O)(=O)Cl)C=C1 28842 [0,2,0,0,0,0|2,0,0]=4 869 B13R1.140 CCOC1=CN=C(S(C)(=O)=O)C=C1 6579 [0,2,0,0,0,0|2,0,0]=4 870 B13R1.338 CC(=O)C1=CC=C(C(C)(C)C)C=C1 13707 [0,2,0,0,0,0|1,0,0]=3 871 B13R1.338 CC(=O)C1=CC=C(C(F)(F)F)C=C1 4307 [0,2,0,0,0,0|2,0,0]=4 872 B13R1.338 CC(=O)C1=CC=C(S(C)(=O)=O)C=C1 10865 [0,2,0,0,0,0|0,1,0]=3 873 B13R1.338 CC(=O)C1=CC=C([B-](F)(F)F)C=C1 11433 [0,2,0,0,0,0|2,0,0]=4 874 B13R1.338 CC(C)(C)C1=CC=C(C(=O)O)C=C1 19991 [0,2,0,0,0,0|2,0,0]=4 875 B13R1.338 CS(=O)(=O)C1=CC=C(C(=O)O)C=C1 10871 [0,2,0,0,0,0|1,1,0]=4 876 B13R1.120 CC(=O)C1=C(Br)C=C([N+](=O)[O-])C=C1 29266 [0,2,0,0,0,0|2,0,0]=4 877 B13R1.120 CC(=O)C1=C(Cl)C=C([N+](=O)[O-])C=C1 28239 [0,2,0,0,0,0|2,0,0]=4 878 B13R1.120 CC(=O)C1=C(F)C=C(B(O)O)C=C1 32636 [0,2,0,0,0,0|2,0,0]=4 879 B13R1.120 CC(=O)C1=C(N)C=C([N+](=O)[O-])C=C1 29254 [0,2,0,0,0,0|2,0,0]=4 880 B13R1.120 CC(=O)C1=CC(Br)=C([N+](=O)[O-])C=C1 31213 [0,2,0,0,0,0|2,0,0]=4 881 B13R1.652 CCC1=CC(N)=C(C(C)=O)C=C1Cl 26480 [0,2,0,0,0,0|1,0,0]=3 882 B13R1.652 COC1=C(Br)C=C(C(C)=O)C(F)=C1 29135 [0,2,0,0,0,0|0,0,0]=2 883 B13R1.652 COC1=C(Br)C=C(C(C)C)C(F)=C1 26353 [0,2,0,0,0,0|1,0,1]=4 884 B13R1.652 COC1=C(C)C=C([N+](=O)[O-])C(Br)=C1 31578 [0,2,0,0,0,0|2,0,0]=4 885 B13R1.652 COC1=C(N)C=C([N+](=O)[O-])C(F)=C1 36102 [0,2,0,0,0,0|2,0,0]=4 886 B13R1.652 COC1=CC(F)=C(C(=O)O)C=C1F 30598 [0,2,0,0,0,0|1,0,0]=3 887 B13R1.652 COC1=CC(N)=C([N+](=O)[O-])C=C1C 31034 [0,2,0,0,0,0|2,0,0]=4 888 B13R1.3091 COC1=C(CCl)C=C(C(C)=O)C=C1 24417 [0,2,0,0,0,0|0,0,0]=2 889 B13R1.3091 COC1=C(OC)C=C(C(=N)N)C=C1 19820 [0,2,0,0,0,0|2,0,0]=4 890 B13R1.3091 COC1=C(OC)C=C(C(=O)O)C=C1 13788 [0,2,0,0,0,0|1,0,0]=3 891 B13R1.3091 COC1=C(OC)C=C(C(C)=O)C=C1 10581 [0,2,0,0,0,0|0,0,0]=2 892 B13R1.3091 COC1=C(OC)C=C([N+](=O)[O-])C=C1 19761 [0,2,0,0,0,0|2,0,0]=4 893 B13R1.3091 COC1=CC(C(=O)O)=CN=C1OC 27242 [0,2,0,0,0,0|2,0,0]=4 894 B13R1.3096 COC1=C(C)C(C)=C([N+](=O)[O-])C=C1 13217 [0,2,0,0,0,0|2,0,0]=4 895 B13R1.3096 COC1=C(C)C(N)=C(C(C)=O)C=C1 19710 [0,2,0,0,0,0|0,0,0]=2 896 B13R1.3096 COC1=C(Cl)C(N)=C(C(C)=O)C=C1 19251 [0,2,0,0,0,0|0,0,0]=2 897 B13R1.3096 COC1=C(F)C(F)=C(C(=O)O)C=C1 4939 [0,2,0,0,0,0|1,0,0]=3 898 B13R1.3096 COC1=C(F)C(F)=C([N+](=O)[O-])C=C1 18510 [0,2,0,0,0,0|2,0,0]=4 899 B13R1.3380 COC1=C(C)C=C(C(=O)O)C=C1C 30469 [0,2,0,0,0,0|1,0,0]=3 900 B13R1.3380 COC1=C(Cl)C=C(C(=O)O)C=C1Cl 27509 [0,2,0,0,0,0|1,0,0]=3 901 B13R1.3380 COC1=C(Cl)C=C(C(=O)O)C=C1Cl 30749 [0,2,0,0,0,0|1,0,0]=3 902 B13R1.3380 COC1=C(Cl)C=C([N+](=O)[O-])C=C1Cl 2687 [0,2,0,0,0,0|2,0,0]=4 903 B13R1.3380 COC1=C(F)C=C(C(=O)O)C=C1F 28629 [0,2,0,0,0,0|1,0,0]=3 904 B13R1.3380 COC1=C(F)C=C(C(C)=O)C=C1F 29148 [0,2,0,0,0,0|0,0,0]=2 905 B13R1.3380 COC1=C(F)C=C([N+](=O)[O-])C=C1F 25893 [0,2,0,0,0,0|2,0,0]=4 906 B13R1.3380 COc1c(C)cc(C(C)=O)cc1C 31185 [0,2,0,0,0,0|0,0,0]=2 907 B13R1.74 CCCOC1=CC=C(C(=O)O)C=C1 2681 [0,2,0,0,0,0|1,0,0]=3 908 B13R1.74 NCCOC1=CC=C([N+](=O)[O-])C=C1 19161 [0,2,0,0,0,0|2,0,0]=4 909 B13R1.74 O=[N+]([O-])C1=CC=C(OCCCl)C=C1 11621 [0,2,0,0,0,0|2,0,0]=4 910 B13R1.99 COC1=CC(C#N)=C([N+](=O)[O-])C=C1 30797 [0,2,0,0,0,0|2,0,0]=4 911 B13R1.99 COC1=CC(C=O)=C([N+](=O)[O-])C=C1 30915 [0,2,0,0,0,0|2,0,0]=4 912 B13R1.99 COC1=CC(OC)=C(C(=O)O)C=C1 4949 [0,2,0,0,0,0|1,0,0]=3 913 B13R1.99 COC1=CC(OC)=C(C(C)=O)C=C1 10582 [0,2,0,0,0,0|0,0,0]=2 914 B13R1.99 COC1=CC(OC)=C([N+](=O)[O-])C=C1 19759 [0,2,0,0,0,0|2,0,0]=4 915 B13R1.99 COC1=CC=C(C(=O)O)C(OC)=N1 11091 [0,2,0,0,0,0|2,0,0]=4 916 B13R1.428 COC1=CC(C)=C(C(=O)O)C(C)=C1 30571 [0,2,0,0,0,0|1,0,0]=3 917 B13R1.428 COC1=CC(C)=C([N+](=O)[O-])C(C)=C1 26217 [0,2,0,0,0,0|2,0,0]=4 918 B13R1.428 COC1=CC(Cl)=C([N+](=O)[O-])C(Cl)=C1 22693 [0,2,0,0,0,0|2,0,0]=4 919 B13R1.428 COC1=CC(F)=C(C(=O)O)C(F)=C1 30457 [0,2,0,0,0,0|1,0,0]=3 920 B13R1.428 COC1=CC(F)=C(C(C)=O)C(F)=C1 31207 [0,2,0,0,0,0|0,0,0]=2 921 B13R1.428 COC1=CC(F)=C([N+](=O)[O-])C(F)=C1 25579 [0,2,0,0,0,0|2,0,0]=4 922 B13R1.428 COC1=CC(N)=C(C(=O)O)C(Br)=C1 16850 [0,2,0,0,0,0|1,0,0]=3 923 B11R1.159 CC(=O)C1=C(C)C(C)=CC=C1 19771 [0,0,1,1,0,0|1,0,1]=4 924 B11R1.159 CC(=O)C1=C(F)C(C)=CC=C1 31221 [0,0,1,1,0,0|2,0,0]=4 925 B11R1.159 CC(=O)C1=C(N)C(C)=CC=C1 29253 [0,0,1,1,0,0|2,0,0]=4 926 B11R2.190 C=CC1=CC=C2CCC2=C1 35204 [1,0,0,1,0,0|1,0,1]=4 927 B11R2.34 OC1=CC=C(C2CC2)C=C1 17543 [1,0,0,1,0,0|1,0,1]=4 928 B13R2.2121 COC1=CC2=C(C=C1)N=C(Br)S2 17252 [0,0,0,1,0,1|1,1,0]=4 929 B13R2.2121 COC1=CC2=C(C=C1)N=C(C)N2 7665 [0,0,0,1,0,1|1,0,0]=3 930 B13R2.2121 COC1=CC2=C(C=C1)N=C(Cl)S2 17253 [0,0,0,1,0,1|1,1,0]=4 931 B13R2.2121 COC1=CC2=C(C=C1)N=C(N)S2 14480 [0,0,0,1,0,1|1,1,0]=4 932 B13R2.2121 COC1=CC2=C(C=C1)N=C(S)N2 7611 [0,0,0,1,0,1|1,1,0]=4 933 B13R2.2121 COC1=CC2=C(C=C1)NC(=O)S2 21830 [0,0,0,1,0,1|1,0,0]=3 934 B13R2.2121 COC1=CC2=C(C=C1)OC(C)=N2 25985 [0,0,0,1,0,1|1,0,0]=3 935 B13R2.2121 COC1=CC2=C(C=C1)SC(=O)C2 17715 [0,0,0,1,0,1|0,0,0]=2 936 B13R2.2121 COC1=CC2=C(C=C1)SC(N)=N2 19102 [0,0,0,1,0,1|2,0,0]=4 937 B13R2.2121 COC1=CC=C2C=C(C)NC2=C1 19946 [0,0,0,1,0,1|1,0,0]=3 938 B13R2.2121 COC1=CC=C2CC(=O)CC2=C1 18091 [0,0,0,1,0,1|0,0,0]=2 939 B13R2.2121 COC1=CC=C2CC(=O)NC2=C1 8303 [0,0,0,1,0,1|1,0,0]=3 940 B13R2.2121 COC1=CC=C2CC(N)CC2=C1 36162 [0,0,0,1,0,1|1,0,1]=4 941 B13R2.2121 COC1=CC=C2NC(=O)CC2=C1 8313 [0,0,0,1,0,1|0,0,0]=2 942 B13R2.2121 COC1=CC=C2NC(C)=CC2=C1 7236 [0,0,0,1,0,1|1,0,0]=3 943 B13R2.2121 CSC1=CC2=C(C=C1)SC(C)=N2 25154 [0,0,0,1,0,1|1,1,0]=4 944 B13R2.2130 COC1=CC2=C(C=C1)C(=O)CO2 18002 [0,1,0,1,0,0|0,0,0]=2 945 B13R2.2130 COC1=CC2=C(C=C1)N(C)C=N2 34753 [0,1,0,1,0,0|2,0,0]=4 946 B13R2.2130 COC1=CC=C2C(=C1)C=CN2C 13866 [0,1,0,1,0,0|2,0,0]=4 947 B13R2.2130 COC1=CC=C2C(=C1)NN=C2C 32531 [0,1,0,1,0,0|1,0,0]=3 948 B13R2.2130 COC1=CC=C2C(=O)CCC2=C1 2031 [0,1,0,1,0,0|0,0,0]=2 949 B13R2.2130 COc1ccc2c(c1)CNC2=O 31624 [0,1,0,1,0,0|0,0,0]=2 950 B13R2.2130 N#CC1=CC=C2C(=O)CCC2=C1 25743 [0,1,0,1,0,0|2,0,0]=4 951 B13R2.2130 O=C1NCC2=CC(CO)=CC=C12 25141 [0,1,0,1,0,0|2,0,0]=4 952 B13R2.2130 O=CC1=CC=C2C(=O)NCC2=C1 25142 [0,1,0,1,0,0|2,0,0]=4 953 B13R2.430 CC(=O)C1=CC2=C(C=C1)CCO2 33775 [0,1,0,1,0,0|1,0,0]=3 954 B13R2.430 CC(=O)C1=CC2=C(C=C1)OCO2 13198 [0,1,0,1,0,0|0,0,0]=2 955 B13R2.430 CC(=O)C1=CC=C2C=CNC2=C1 16447 [0,1,0,1,0,0|1,0,1]=4 956 B13R2.430 CC(=O)C1=CC=C2NC=CC2=C1 13403 [0,1,0,1,0,0|1,0,1]=4 957 B13R2.430 O=C(Cl)C1=CC2=C(C=C1)OC=C2 7017 [0,1,0,1,0,0|1,0,1]=4 958 B13R2.430 O=C(Cl)C1=CC2=C(C=C1)OCC2 6935 [0,1,0,1,0,0|1,0,0]=3 959 B13R2.430 O=C(O)C1=CC2=C(C=C1)CCO2 33735 [0,1,0,1,0,0|2,0,0]=4 960 B13R2.430 O=C(O)C1=CC2=C(C=C1)OC=C2 7018 [0,1,0,1,0,0|1,0,1]=4 961 B13R2.430 O=C(O)C1=CC2=C(C=C1)OC=N2 19084 [0,1,0,1,0,0|1,0,1]=4 962 B13R2.430 O=C(O)C1=CC2=C(C=C1)OCC2 14824 [0,1,0,1,0,0|1,0,0]=3 963 B13R2.430 O=C(O)C1=CC2=C(C=C1)OCO2 9772 [0,1,0,1,0,0|1,0,0]=3 964 B13R2.430 O=C(O)C1=CC2=NON=C2C=C1 3995 [0,1,0,1,0,0|2,0,0]=4 965 B13R2.430 O=C(O)C1=CC=C2CNCC2=C1 17842 [0,1,0,1,0,0|2,0,0]=4 966 B13R2.430 O=C(O)C1=CC=C2CNCC2=C1 20914 [0,1,0,1,0,0|2,0,0]=4 967 B13R2.430 O=[N+]([O-])C1=CC2=C(C=C1)OCC2 27762 [0,1,0,1,0,0|2,0,0]=4 968 B13R2.430 O=[N+]([O-])c1ccc2c(c1)OCO2 22908 [0,1,0,1,0,0|2,0,0]=4 969 B9R1.21 COC1=NC=C(C=O)S1 34880 [1,0,0,0,1,0|2,0,0]=4 970 B9R1.35 CC(=O)C1=CC(C)=CS1 5214 [1,0,0,0,1,0|1,0,0]=3 971 B9R1.35 CC(=O)C1=CC(C)=NO1 24234 [1,0,0,0,1,0|2,0,0]=4 972 B9R1.35 CC(=O)C1=CC(Cl)=CS1 44706 [1,0,0,0,1,0|2,0,0]=4 973 B9R1.35 CC(=O)C1=CC=C(Br)S1 5219 [1,0,0,0,1,0|2,0,0]=4 974 B9R1.35 CC(=O)C1=CC=C(C)O1 6971 [1,0,0,0,1,0|1,0,0]=3 975 B9R1.35 CC(=O)C1=CC=C(C)S1 5212 [1,0,0,0,1,0|1,0,0]=3 976 B9R1.35 CC(=O)C1=CC=C(Cl)S1 2614 [1,0,0,0,1,0|2,0,0]=4 977 B9R1.35 CC(=O)C1=CSC(Cl)=C1 24099 [1,0,0,0,1,0|2,0,0]=4 978 B9R1.35 CC1=CC=C(C(=O)O)S1 5206 [1,0,0,0,1,0|2,0,0]=4 979 B9R1.35 CC1=CNC(C(=O)O)=C1 13375 [1,0,0,0,1,0|2,0,0]=4 980 B9R1.35 CC1=CSC(C(=O)O)=C1 9431 [1,0,0,0,1,0|2,0,0]=4 981 B9R1.35 CN1C=CC(C(=O)O)=C1 25790 [1,0,0,0,1,0|2,0,0]=4 982 B11R1.20 CC(=O)CC1=CC=C(Br)C=C1 31604 [1,0,0,0,0,1|1,0,0]=3 983 B11R1.20 CC(=O)CC1=CC=C(Cl)C=C1 28145 [1,0,0,0,0,1|1,0,0]=3 984 B11R1.20 CC(=O)CC1=CC=C(F)C=C1 28133 [1,0,0,0,0,1|1,0,0]=3 985 B11R1.20 CC(=O)CC1=CC=C(O)C=C1 35682 [1,0,0,0,0,1|0,0,0]=2 986 B11R1.20 CC(=O)NC1=CC=C(C)C=C1 3342 [1,0,0,0,0,1|0,0,0]=2 987 B11R1.20 CC(=O)NC1=CC=C(Cl)C=C1 26262 [1,0,0,0,0,1|1,0,0]=3 988 B11R1.20 CC(=O)NC1=CC=C(I)C=C1 3293 [1,0,0,0,0,1|1,0,0]=3 989 B11R1.20 CC(=O)NC1=CC=C(O)C=C1 17726 [1,0,0,0,0,1|0,0,0]=2 990 B11R1.20 CC(=O)NC1=CC=C(S)C=C1 6832 [1,0,0,0,0,1|0,1,0]=3 991 B11R1.20 CC(=O)NC1=CN=C(Br)C=C1 9474 [1,0,0,0,0,1|2,0,0]=4 992 B11R1.20 CC(=O)NC1=NC=C(Br)C=C1 5546 [1,0,0,0,0,1|2,0,0]=4 993 B11R1.20 CC(=O)NC1=NC=C(F)C=C1 1298 [1,0,0,0,0,1|2,0,0]=4 994 B11R1.20 CC(=O)NC1=NC=C(N)C=C1 1297 [1,0,0,0,0,1|2,0,0]=4 995 B11R1.20 CC(=O)OC1=CC=C(F)C=C1 3061 [1,0,0,0,0,1|1,0,0]=3 996 B11R1.20 CC(C)OC1=CC=C(O)C=C1 34515 [1,0,0,0,0,1|1,0,1]=4 997 B11R1.20 CC1=CC=C(CC(O)=S)C=C1 10789 [1,0,0,0,0,1|1,0,1]=4 998 B11R1.20 NC(=O)CC1=CC=C(O)C=C1 17532 [1,0,0,0,0,1|1,0,0]=3 999 B11R1.20 Nc1ccc(CC(=O)O)cc1 22147 [1,0,0,0,0,1|2,0,0]=4 1000 B11R1.20 O=C(Cl)CC1=CC=C(Cl)C=C1 44721 [1,0,0,0,0,1|2,0,0]=4 1001 B11R1.20 O=C(Cl)CC1=CC=C(F)C=C1 17517 [1,0,0,0,0,1|2,0,0]=4 1002 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 4246 [1,0,0,0,0,1|2,0,0]=4 1003 B11R1.20 O=C(O)CC1=CC=C(Cl)C=C1 4250 [1,0,0,0,0,1|2,0,0]=4 1004 B11R1.20 O=C(O)CC1=CC=C(F)C=C1 13432 [1,0,0,0,0,1|2,0,0]=4 1005 B11R1.20 O=C(O)CC1=CC=C(F)C=C1 19614 [1,0,0,0,0,1|2,0,0]=4 1006 B11R1.20 O=C(O)CC1=CC=C(I)C=C1 18835 [1,0,0,0,0,1|2,0,0]=4 1007 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 22193 [1,0,0,0,0,1|1,0,0]=3 1008 B11R1.20 O=C(O)CC1=CC=C(S)C=C1 34915 [1,0,0,0,0,1|1,1,0]=4 1009 B11R1.20 O=C([O-])[ClH]C1=CC=C(Br)C=C1 28974 [1,0,0,0,0,1|2,0,0]=4 1010 B11R1.20 O=C([O-])[ClH]C1=CC=C(F)C=C1 28972 [1,0,0,0,0,1|2,0,0]=4 1011 B11R1.266 CC(=O)C1=CC(C=O)=CC=C1 31237 [0,0,0,0,1,1|2,0,0]=4 1012 B11R1.266 CC(=O)C1=CC(CCl)=CC=C1 23456 [0,0,0,0,1,1|2,0,0]=4 1013 B11R1.266 CC(=O)C1=CC=CC(C#N)=C1 12649 [0,0,0,0,1,1|2,0,0]=4 1014 B11R1.266 CCC1=CC=CC(C(C)=O)=C1 3092 [0,0,0,0,1,1|1,0,0]=3 1015 B11R1.266 COC1=CC(C(=O)O)=CN=C1 27158 [0,0,0,0,1,1|1,0,0]=3 1016 B11R1.266 COC1=CC(C(=O)O)=NC=C1 16686 [0,0,0,0,1,1|1,0,0]=3 1017 B11R1.266 COC1=CC(C(=O)O)=NC=N1 27976 [0,0,0,0,1,1|2,0,0]=4 1018 B11R1.266 COC1=CC(C(C)=O)=NC=C1 33636 [0,0,0,0,1,1|0,0,0]=2 1019 B11R1.266 COC1=CC(C(N)=O)=NC=C1 9294 [0,0,0,0,1,1|1,0,0]=3 1020 B11R1.266 COC1=CC=CC(C(=O)Cl)=C1 35489 [0,0,0,0,1,1|1,0,0]=3 1021 B11R1.266 COC1=CC=CC(C(=O)O)=C1 9012 [0,0,0,0,1,1|1,0,0]=3 1022 B11R1.266 COC1=CC=CC(C(=O)O)=N1 15165 [0,0,0,0,1,1|2,0,0]=4 1023 B11R1.266 COC1=CC=CC(C(=O)O)=N1 17144 [0,0,0,0,1,1|2,0,0]=4 1024 B11R1.266 COC1=CC=CC(C(C)=O)=C1 9201 [0,0,0,0,1,1|0,0,0]=2 1025 B11R1.266 COC1=CC=CC(C(N)=O)=N1 16543 [0,0,0,0,1,1|2,0,0]=4 1026 B11R1.266 COC1=CC=CC([C@@H](C)O)=C1 15587 [0,0,0,0,1,1|0,0,2]=4 1027 B11R1.266 COC1=CC=CC([C@H](C)N)=C1 24749 [0,0,0,0,1,1|1,0,1]=4 1028 B11R1.266 COC1=CN=CC(C(=O)O)=N1 27952 [0,0,0,0,1,1|2,0,0]=4 1029 B11R1.266 COC1=NC=CC(C(=O)O)=C1 9293 [0,0,0,0,1,1|1,0,0]=3 1030 B11R1.266 COC1=NC=CC(C(=O)O)=N1 32428 [0,0,0,0,1,1|2,0,0]=4 1031 B11R1.266 CSC1=CC=CC(C(=O)O)=C1 10679 [0,0,0,0,1,1|1,1,0]=4 1032 B11R1.266 CSC1=CC=CC(C(=O)O)=C1 20970 [0,0,0,0,1,1|1,1,0]=4 1033 B11R1.266 CSC1=NC=CC(C(C)=O)=N1 2447 [0,0,0,0,1,1|1,1,0]=4 1034 B13R1.3 COC1=CC=C(CCC(=O)O)C=C1 8251 [0,0,0,0,0,2|1,0,0]=3 1035 B13R1.3 COC1=CC=C(\C=C\C(=O)Cl)C=C1 25637 [0,0,0,0,0,2|1,0,0]=3 1036 B13R1.3 COC1=CC=C(\C=C\C(=O)O)C=C1 35169 [0,0,0,0,0,2|1,0,0]=3 1037 B13R1.3 COC1=CC=C(\C=C\C(=O)O)C=C1 8248 [0,0,0,0,0,2|1,0,0]=3 1038 B13R1.3 CSC1=CC=C(OCC(=O)O)C=C1 19218 [0,0,0,0,0,2|1,1,0]=4