0 B10R1.17 CCCCC1=CC=CC=C1 27221 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.17 CCCC[N+]1=CC=CC=C1 31412 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.17 CCCC[N+]1=CC=CC=C1 31413 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.17 CNCCC1=CC=CC=C1 23237 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.17 CNCCC1=CC=CN=C1 23587 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.17 CNCCC1=CC=NC=C1 17201 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.17 CNCCC1=NC=CC=C1 23232 [0,0,0,0,0,0|4,0,0]=4 7 B10R1.17 ClCC#CC1=CC=CC=C1 28941 [0,0,0,0,0,0|2,0,2]=4 8 B10R1.17 ClCOCC1=CC=CC=C1 00728 [0,0,0,0,0,0|1,0,1]=2 9 B10R1.17 N#C\C=C\C1=CC=CC=C1 30870 [0,0,0,0,0,0|2,0,2]=4 10 B10R1.17 O=C\C=C\C1=CC=CC=C1 24523 [0,0,0,0,0,0|1,0,1]=2 11 B10R1.17 OCC#CC1=CC=CC=C1 27592 [0,0,0,0,0,0|1,0,3]=4 12 B9R1.8 CCCC1=CC=CC=C1 27219 [1,0,0,0,0,0|1,0,1]=3 13 B9R1.8 CCCC1=CC=CC=C1 29530 [1,0,0,0,0,0|1,0,1]=3 14 B9R1.8 CCOC1=CC=CC=C1 30856 [1,0,0,0,0,0|1,0,1]=3 15 B9R1.8 CCOC1=NC=CC=C1 27481 [1,0,0,0,0,0|2,0,1]=4 16 B9R1.8 CNCC1=CC=CC=C1 23236 [1,0,0,0,0,0|1,0,1]=3 17 B9R1.8 CNCC1=CC=CN=C1 23300 [1,0,0,0,0,0|2,0,1]=4 18 B9R1.8 CNCC1=CC=NC=C1 23632 [1,0,0,0,0,0|2,0,1]=4 19 B9R1.8 CNCC1=NC=CC=C1 23554 [1,0,0,0,0,0|2,0,1]=4 20 B9R1.8 COCC1=CC=CN=C1 29457 [1,0,0,0,0,0|1,0,1]=3 21 B9R1.8 COCC1=CC=NC=C1 29392 [1,0,0,0,0,0|1,0,1]=3 22 B9R1.8 COCC1=NC=CC=C1 27516 [1,0,0,0,0,0|1,0,1]=3 23 B9R1.8 NCCC1=CC=CC=C1 21747 [1,0,0,0,0,0|1,0,1]=3 24 B9R1.8 NOCC1=CC=CC=C1 02279 [1,0,0,0,0,0|1,0,0]=2 25 B9R1.8 OCCC1=CC=CC=C1 01623 [1,0,0,0,0,0|0,0,2]=3 26 B9R1.8 ONCC1=CC=CC=C1 31261 [1,0,0,0,0,0|1,0,1]=3 27 B9R1.8 S=C=NC1=CC=CC=C1 24479 [1,0,0,0,0,0|1,1,1]=4 28 B11R1.1 CNCCC1=CC=C(Cl)C=C1 18383 [0,1,0,0,0,0|3,0,0]=4 29 B11R1.1 CNCCC1=CC=C(O)C=C1 21452 [0,1,0,0,0,0|3,0,0]=4 30 B11R1.16 COC[C@@H](N)C1=CC=CC=C1 16597 [0,1,0,0,0,0|3,0,0]=4 31 B11R1.16 COC[C@H](N)C1=CC=CC=C1 16561 [0,1,0,0,0,0|3,0,0]=4 32 B11R1.16 N#CCC(O)C1=CC=CC=C1 18031 [0,1,0,0,0,0|2,0,1]=4 33 B11R1.16 NCCC(O)C1=CC=CC=C1 18858 [0,1,0,0,0,0|2,0,1]=4 34 B11R1.16 O=C(OCCl)C1=CC=CC=C1 19364 [0,1,0,0,0,0|1,0,2]=4 35 B11R1.24 CNCCC1=CC(C)=CC=C1 19438 [0,1,0,0,0,0|3,0,0]=4 36 B11R1.28 BrCCOCC1=CC=CC=C1 14427 [0,1,0,0,0,0|1,0,1]=3 37 B11R1.28 CNCCCC1=CC=CC=C1 23460 [0,1,0,0,0,0|2,0,1]=4 38 B11R1.28 OCCOCC1=CC=CC=C1 21183 [0,1,0,0,0,0|0,0,2]=3 39 B11R1.40 COC(=O)CC1=CC=CC=C1 27176 [0,1,0,0,0,0|3,0,0]=4 40 B11R1.40 NCC(O)CC1=CC=CC=C1 23757 [0,1,0,0,0,0|2,0,1]=4 41 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 03209 [0,1,0,0,0,0|1,0,2]=4 42 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 03208 [0,1,0,0,0,0|1,0,2]=4 43 B11R1.40 O=C\C(Br)=C\C1=CC=CC=C1 27093 [0,1,0,0,0,0|1,0,1]=3 44 B11R1.91 CC(=O)NCC1=CC=CC=C1 24146 [0,1,0,0,0,0|1,0,0]=2 45 B11R1.91 CC(=O)OCC1=CC=CC=C1 27188 [0,1,0,0,0,0|0,0,0]=1 46 B11R1.91 NC(=O)OCC1=CC=CC=C1 27153 [0,1,0,0,0,0|0,0,0]=1 47 B11R1.91 O=C(O)C#CC1=CC=CC=C1 22061 [0,1,0,0,0,0|1,0,1]=3 48 B11R1.91 O=C(O)CCC1=CC=CC=C1 25774 [0,1,0,0,0,0|1,0,0]=2 49 B11R1.91 O=C(O)CNC1=CC=CC=C1 03076 [0,1,0,0,0,0|2,0,0]=3 50 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 01532 [0,1,0,0,0,0|1,0,1]=3 51 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 27055 [0,1,0,0,0,0|2,0,1]=4 52 B11R1.91 O=C(O)\C=C\C1=CC=NC=C1 28730 [0,1,0,0,0,0|2,0,1]=4 53 B11R1.91 O=C(O)\C=C\C1=NC=CC=C1 28144 [0,1,0,0,0,0|2,0,1]=4 54 B11R1.91 O=C([O-])COC1=CC=CC=C1 01413 [0,1,0,0,0,0|2,0,0]=3 55 B11R2.1 CC1=CNC2=C1C=CC=C2 21863 [0,0,0,1,0,0|3,0,0]=4 56 B11R2.1 NC1=NNC2=C1C=CC=C2 23261 [0,0,0,1,0,0|3,0,0]=4 57 B11R2.1 O=C1CCC2=C1C=CC=C2 21893 [0,0,0,1,0,0|1,0,0]=2 58 B11R2.1 O=C1CCC2=C1C=CC=N2 20461 [0,0,0,1,0,0|2,0,0]=3 59 B11R2.1 O=C1NCC2=CC=CC=C12 31367 [0,0,0,1,0,0|1,0,0]=2 60 B11R2.1 O=C1NN=C2C=CC=CN12 32071 [0,0,0,1,0,0|3,0,0]=4 61 B11R2.1 O=C1NSC2=C1C=CC=C2 31729 [0,0,0,1,0,0|2,0,0]=3 62 B11R2.4 NC1CC1C2=CC=CC=C2 20042 [0,0,0,1,0,0|2,0,1]=4 63 B9R1.12 O=CCCN1C=CC=N1 26522 [0,0,0,0,1,0|3,0,0]=4 64 B8R1.2 BrCC1=CC=CC=C1 00332 [2,0,0,0,0,0|1,0,0]=3 65 B8R1.2 C#CC1=CC=CC=C1 24540 [2,0,0,0,0,0|0,0,2]=4 66 B8R1.2 CC[N+]1=CC=CC=C1 31419 [2,0,0,0,0,0|1,0,1]=4 67 B8R1.2 COC1=CC=CC=C1 02045 [2,0,0,0,0,0|0,0,1]=3 68 B8R1.2 COC1=CC=NC=C1 28387 [2,0,0,0,0,0|1,0,1]=4 69 B8R1.2 COC1=NC=CC=C1 27017 [2,0,0,0,0,0|1,0,1]=4 70 B8R1.2 ClCC1=CC=CN=C1 06928 [2,0,0,0,0,0|2,0,0]=4 71 B8R1.2 ClCC1=CC=NC=C1 06929 [2,0,0,0,0,0|2,0,0]=4 72 B8R1.2 ClCC1=NC=CC=C1 06927 [2,0,0,0,0,0|2,0,0]=4 73 B8R1.2 N#CC1=CC=CC=C1 27352 [2,0,0,0,0,0|1,0,1]=4 74 B8R1.2 NCC1=CC=CC=C1 29916 [2,0,0,0,0,0|1,0,0]=3 75 B8R1.2 NCC1=CC=CN=C1 27056 [2,0,0,0,0,0|2,0,0]=4 76 B8R1.2 NCC1=CC=NC=C1 27066 [2,0,0,0,0,0|2,0,0]=4 77 B8R1.2 NCC1=CC=NC=C1 28201 [2,0,0,0,0,0|2,0,0]=4 78 B8R1.2 NNC1=CC=CC=C1 02348 [2,0,0,0,0,0|2,0,0]=4 79 B8R1.2 O=CC1=CC=NC=C1 07252 [2,0,0,0,0,0|1,0,0]=3 80 B8R1.2 O=CC1=CN=CN=C1 17090 [2,0,0,0,0,0|2,0,0]=4 81 B8R1.2 O=CC1=NC=CC=C1 02023 [2,0,0,0,0,0|1,0,0]=3 82 B8R1.2 O=CC1=NC=CN=C1 17542 [2,0,0,0,0,0|2,0,0]=4 83 B8R1.2 OCC1=CC=CC=C1 00371 [2,0,0,0,0,0|0,0,0]=2 84 B8R1.2 OCC1=CC=CN=C1 27054 [2,0,0,0,0,0|1,0,0]=3 85 B8R1.2 OCC1=CC=CN=N1 26187 [2,0,0,0,0,0|2,0,0]=4 86 B8R1.2 OCC1=CC=NC=C1 12966 [2,0,0,0,0,0|1,0,0]=3 87 B8R1.2 OCC1=CN=CN=C1 26173 [2,0,0,0,0,0|2,0,0]=4 88 B10R1.1 CCCC1=CC=C(Br)C=C1 27327 [1,1,0,0,0,0|1,0,1]=4 89 B10R1.1 CCOC1=CC=C(Br)C=C1 30421 [1,1,0,0,0,0|1,0,1]=4 90 B10R1.1 NCCC1=CC=C(Br)C=C1 18380 [1,1,0,0,0,0|1,0,1]=4 91 B10R1.1 NCCC1=CC=C(N)C=C1 17000 [1,1,0,0,0,0|1,0,1]=4 92 B10R1.1 NCCC1=CC=C(O)C=C1 00831 [1,1,0,0,0,0|1,0,1]=4 93 B10R1.1 NCCC1=CC=C(O)C=C1 21913 [1,1,0,0,0,0|1,0,1]=4 94 B10R1.1 O=CCC1=CC=C(Cl)C=C1 17835 [1,1,0,0,0,0|0,0,0]=2 95 B10R1.1 O=CCC1=CC=C(F)C=C1 17837 [1,1,0,0,0,0|0,0,0]=2 96 B10R1.1 OCCC1=CC=C(Cl)C=C1 26850 [1,1,0,0,0,0|0,0,2]=4 97 B10R1.4 NCCC1=C(N)C=CC=C1 17930 [1,1,0,0,0,0|1,0,1]=4 98 B10R1.4 NOCC1=CC=CC=C1Cl 28477 [1,1,0,0,0,0|1,0,0]=3 99 B10R1.4 NOCC1=CC=CC=C1F 29333 [1,1,0,0,0,0|1,0,0]=3 100 B10R1.10 CCOC1=CC(F)=CC=C1 28380 [1,1,0,0,0,0|1,0,1]=4 101 B10R1.10 CCOC1=CC=CC(N)=C1 27146 [1,1,0,0,0,0|1,0,1]=4 102 B10R1.10 N#CCC1=CC(Br)=CC=C1 26792 [1,1,0,0,0,0|1,0,1]=4 103 B10R1.10 N#CCC1=CC(I)=CC=C1 27588 [1,1,0,0,0,0|1,0,1]=4 104 B10R1.10 N#CCC1=CC(O)=CC=C1 28724 [1,1,0,0,0,0|1,0,1]=4 105 B10R1.15 BrCC(Br)C1=CC=CC=C1 26738 [1,1,0,0,0,0|1,0,1]=4 106 B10R1.15 CNC(C)C1=CC=CC=C1 28338 [1,1,0,0,0,0|1,0,1]=4 107 B10R1.15 COC(=O)C1=CC=CC=C1 27174 [1,1,0,0,0,0|0,0,2]=4 108 B10R1.15 NCC(O)C1=CC=CC=C1 22012 [1,1,0,0,0,0|1,0,1]=4 109 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 05373 [1,1,0,0,0,0|0,0,2]=4 110 B10R1.15 N[C@H](CO)C1=CC=CC=C1 05372 [1,1,0,0,0,0|0,0,2]=4 111 B10R1.15 O=NN([O-])C1=CC=CC=C1 24604 [1,1,0,0,0,0|2,0,0]=4 112 B10R1.15 OC[C@H](O)C1=CC=CC=C1 24591 [1,1,0,0,0,0|0,0,2]=4 113 B10R1.18 CC(=O)CC1=CN=CC=C1 19862 [1,1,0,0,0,0|1,0,0]=3 114 B10R1.18 CC(=O)CC1=NC=CC=C1 17928 [1,1,0,0,0,0|1,0,0]=3 115 B10R1.18 CC(=O)NC1=CC=CC=C1 06813 [1,1,0,0,0,0|1,0,0]=3 116 B10R1.18 CC(=O)NC1=NC=CC=C1 27479 [1,1,0,0,0,0|2,0,0]=4 117 B10R1.18 O=C(O)CC1=CC=CN=C1 27783 [1,1,0,0,0,0|1,0,0]=3 118 B10R1.18 O=C(O)CC1=CC=NC=C1 28780 [1,1,0,0,0,0|1,0,0]=3 119 B10R1.18 S=C(Cl)OC1=CC=CC=C1 26924 [1,1,0,0,0,0|0,1,0]=3 120 B12R1.21 CC(=O)\C=C\C1=CC=C(Cl)C=C1 26066 [0,2,0,0,0,0|1,0,1]=4 121 B12R1.21 CC1=CC=C(CCC(=O)O)C=C1 25777 [0,2,0,0,0,0|1,0,0]=3 122 B12R1.21 N=C(N)SCC1=CC=C(Cl)C=C1 23238 [0,2,0,0,0,0|1,1,0]=4 123 B12R1.21 N=C(N)SCC1=CC=C(F)C=C1 23288 [0,2,0,0,0,0|1,1,0]=4 124 B12R1.21 NC1=CC=C(OCC(=O)O)C=C1 29066 [0,2,0,0,0,0|2,0,0]=4 125 B12R1.21 O=C(O)CCC1=CC=C(Br)C=C1 25775 [0,2,0,0,0,0|1,0,0]=3 126 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 25776 [0,2,0,0,0,0|1,0,0]=3 127 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 05284 [0,2,0,0,0,0|1,0,0]=3 128 B12R1.21 O=C(O)COC1=CC=C(Cl)C=C1 01471 [0,2,0,0,0,0|2,0,0]=4 129 B12R1.21 O=C(O)\C=C\C1=CC=C(Br)C=C1 24940 [0,2,0,0,0,0|1,0,1]=4 130 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 02274 [0,2,0,0,0,0|1,0,1]=4 131 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 29996 [0,2,0,0,0,0|1,0,0]=3 132 B12R1.107 NC(CC(=O)O)C1=CC=CN=C1 11563 [0,2,0,0,0,0|2,0,0]=4 133 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 15326 [0,2,0,0,0,0|1,0,0]=3 134 B12R1.107 N[C@@H](CC(=O)O)C1=CN=CC=C1 15205 [0,2,0,0,0,0|2,0,0]=4 135 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 15327 [0,2,0,0,0,0|1,0,0]=3 136 B12R1.107 N[C@H](CC(=O)O)C1=CN=CC=C1 15220 [0,2,0,0,0,0|2,0,0]=4 137 B12R1.125 O=C(O)CCC1=C(O)C=CC=C1 27370 [0,2,0,0,0,0|1,0,0]=3 138 B12R1.226 O=C(O)COC1=CC(Cl)=CC=C1 17094 [0,2,0,0,0,0|2,0,0]=4 139 B12R1.27 COC(=O)\C=C\C1=CC=CC=C1 30865 [0,2,0,0,0,0|1,0,1]=4 140 B12R1.27 NCC(=O)OCC1=CC=CC=C1 03071 [0,2,0,0,0,0|0,0,0]=2 141 B12R1.27 NCC(=O)OCC1=CC=CC=C1 03352 [0,2,0,0,0,0|0,0,0]=2 142 B12R1.27 NNC(=O)OCC1=CC=CC=C1 05288 [0,2,0,0,0,0|0,0,0]=2 143 B12R1.27 O=C(NO)OCC1=CC=CC=C1 31324 [0,2,0,0,0,0|0,0,0]=2 144 B12R1.32 CCOC(=O)CC1=CC=CC=C1 27212 [0,2,0,0,0,0|1,0,1]=4 145 B12R1.252 O=C(O)CCCC1=CC=CC=C1 30722 [0,2,0,0,0,0|1,0,0]=3 146 B12R1.252 O=C(O)CNCC1=CC=CC=C1 05637 [0,2,0,0,0,0|1,0,0]=3 147 B12R1.252 O=C(O)CNCC1=CC=CC=C1 17126 [0,2,0,0,0,0|1,0,0]=3 148 B12R1.252 O=C(O)COCC1=CC=CC=C1 28313 [0,2,0,0,0,0|0,0,0]=2 149 B12R1.252 O=C(O)C\C=C\C1=CC=CC=C1 22384 [0,2,0,0,0,0|1,0,1]=4 150 B12R1.43 CC(OC1=CC=CC=C1)C(=O)O 23228 [0,2,0,0,0,0|2,0,0]=4 151 B12R1.43 CC(OC1=CC=CC=C1)C(N)=O 23313 [0,2,0,0,0,0|2,0,0]=4 152 B12R1.43 NC(=O)C(N)CC1=CC=CC=C1 08461 [0,2,0,0,0,0|1,0,0]=3 153 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 03113 [0,2,0,0,0,0|1,0,0]=3 154 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 06180 [0,2,0,0,0,0|1,0,0]=3 155 B12R1.43 NC(=O)[C@H](N)CC1=CC=CC=C1 03114 [0,2,0,0,0,0|1,0,0]=3 156 B12R1.43 NC(=O)[C@H](N)CC1=CC=CC=C1 05994 [0,2,0,0,0,0|1,0,0]=3 157 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O 00710 [0,2,0,0,0,0|1,0,0]=3 158 B12R1.43 NC(CC1=CC=CN=C1)C(=O)O 07082 [0,2,0,0,0,0|2,0,0]=4 159 B12R1.43 NC(CC1=NC=CC=C1)C(=O)O 06213 [0,2,0,0,0,0|2,0,0]=4 160 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O 00243 [0,2,0,0,0,0|1,0,0]=3 161 B12R1.43 N[C@@H](CC1=CC=CN=C1)C(=O)O 02853 [0,2,0,0,0,0|2,0,0]=4 162 B12R1.43 N[C@@H](CC1=CC=NC=C1)C(=O)O 06924 [0,2,0,0,0,0|2,0,0]=4 163 B12R1.43 N[C@@H](CC1=NC=CC=C1)C(=O)O 06211 [0,2,0,0,0,0|2,0,0]=4 164 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O 00244 [0,2,0,0,0,0|1,0,0]=3 165 B12R1.43 N[C@H](CC1=CC=CC=N1)C(=O)O 06212 [0,2,0,0,0,0|2,0,0]=4 166 B12R1.43 N[C@H](CC1=CC=CN=C1)C(=O)O 06217 [0,2,0,0,0,0|2,0,0]=4 167 B12R1.43 N[C@H](CC1=CC=NC=C1)C(=O)O 06925 [0,2,0,0,0,0|2,0,0]=4 168 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 08027 [0,2,0,0,0,0|1,0,0]=3 169 B12R1.43 O=C(O)C(O)CC1=CN=CC=C1 11562 [0,2,0,0,0,0|2,0,0]=4 170 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 09427 [0,2,0,0,0,0|1,0,0]=3 171 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 08031 [0,2,0,0,0,0|1,0,0]=3 172 B12R1.43 O=C([O-])C(=O)CC1=CC=CC=C1 21660 [0,2,0,0,0,0|1,0,0]=3 173 B10R2.7 C1=CC2=C(C=C1)CC=C2 21927 [1,0,0,1,0,0|1,0,0]=3 174 B10R2.7 C1=CC2=C(C=C1)NC=C2 21854 [1,0,0,1,0,0|1,0,1]=4 175 B10R2.7 C1=CC2=C(C=C1)NC=N2 26958 [1,0,0,1,0,0|2,0,0]=4 176 B12R2.24 O=C1CC2=C(C=CC=C2)CN1 18446 [0,1,0,1,0,0|1,0,0]=3 177 B12R2.24 O=C1CCC2=C(C=CC=C2)C1 14365 [0,1,0,1,0,0|1,0,0]=3 178 B12R2.24 O=C1CCC2=C(N=CC=C2)N1 20082 [0,1,0,1,0,0|2,0,0]=4 179 B12R2.24 O=C1CNC2=C(C=CC=C2)N1 17342 [0,1,0,1,0,0|2,0,0]=4 180 B12R2.24 O=C1COC2=C(C=CC=C2)N1 24676 [0,1,0,1,0,0|2,0,0]=4 181 B12R2.24 O=C1CSC2=C(C=CC=C2)N1 25858 [0,1,0,1,0,0|2,0,0]=4 182 B12R2.132 CC1=CC=C2CCC(=O)C2=C1 25790 [0,1,0,1,0,0|1,0,0]=3 183 B12R2.132 O=C1CCC2=C1C=C(Br)C=C2 25792 [0,1,0,1,0,0|1,0,0]=3 184 B12R2.132 O=C1CCC2=C1C=C(Cl)C=C2 25791 [0,1,0,1,0,0|1,0,0]=3 185 B12R2.132 O=C1CCC2=C1C=C(F)C=C2 25793 [0,1,0,1,0,0|1,0,0]=3 186 B12R2.132 O=C1COC2=C1C=C(Cl)C=C2 18107 [0,1,0,1,0,0|2,0,0]=4 187 B12R2.132 O=C1COC2=CC=C(Br)C=C12 18104 [0,1,0,1,0,0|2,0,0]=4 188 B12R2.2 C1=CC=C(C2=CC=NO2)C=C1 24885 [0,1,0,1,0,0|1,0,1]=4 189 B12R2.2 C1=CC=C(C2=NOC=C2)C=C1 25488 [0,1,0,1,0,0|1,0,1]=4 190 B12R2.1081 O=C1C=COC2=C1C=CC=C2 26004 [0,1,0,1,0,0|1,0,1]=4 191 B12R2.1081 O=C1CCCC2=C1C=CC=N2 18148 [0,1,0,1,0,0|2,0,0]=4 192 B12R2.1081 O=C1CCNC2=C1C=CC=C2 17242 [0,1,0,1,0,0|1,0,0]=3 193 B12R2.1081 O=C1CCOC2=C1C=CC=C2 24650 [0,1,0,1,0,0|1,0,0]=3 194 B12R2.1081 O=C1NCCC2=C1C=CC=C2 20083 [0,1,0,1,0,0|1,0,0]=3 195 B12R2.2028 O=C1NC(=O)C2=C1C=CC=C2 26967 [0,1,0,1,0,0|1,0,1]=4 196 B12R2.2028 O=C1OC(=O)C2=C1C=CC=C2 02350 [0,1,0,1,0,0|0,0,1]=3 197 B12R2.32 O=CC1=CC2=C(C=CC=C2)N1 17607 [0,1,0,1,0,0|1,0,1]=4 198 B12R2.32 O=CC1=NC2=C(C=CC=C2)N1 17138 [0,1,0,1,0,0|2,0,0]=4 199 B12R2.32 O=CC1=NC2=C(C=CC=C2)S1 17164 [0,1,0,1,0,0|2,0,0]=4 200 B12R2.196 O=C1CCC2=C1C=CC=C2Br 31298 [0,1,0,1,0,0|1,0,0]=3 201 B12R2.612 CC1=CC2=C(C=C1)C(=O)CC2 30815 [0,1,0,1,0,0|1,0,0]=3 202 B12R2.612 O=C1CCC2=C1C=CC(Br)=C2 24606 [0,1,0,1,0,0|1,0,0]=3 203 B12R2.612 O=C1CCC2=C1C=CC(Cl)=C2 27603 [0,1,0,1,0,0|1,0,0]=3 204 B12R2.612 O=C1CCC2=C1C=CC(F)=C2 21251 [0,1,0,1,0,0|1,0,0]=3 205 B12R2.612 O=C1CCC2=C1C=CC(I)=C2 26295 [0,1,0,1,0,0|1,0,0]=3 206 B12R2.612 O=C1COC2=C1C=CC(O)=C2 31269 [0,1,0,1,0,0|2,0,0]=4 207 B12R2.612 O=C1COC2=CC(Br)=CC=C12 19192 [0,1,0,1,0,0|2,0,0]=4 208 B12R2.612 O=C1COC2=CC(Cl)=CC=C12 18132 [0,1,0,1,0,0|2,0,0]=4 209 B12R2.612 O=C1NCC2=CC(Br)=CC=C12 31315 [0,1,0,1,0,0|1,0,0]=3 210 B12R2.1 O=CC1=CNC2=C1C=CC=C2 21840 [0,1,0,1,0,0|1,0,1]=4 211 B12R2.1 O=CC1=NNC2=C1C=CC=C2 17421 [0,1,0,1,0,0|2,0,0]=4 212 B12R2.18 O=C1NC2=C(C=CC=C2)C1=O 00851 [0,1,0,1,0,0|2,0,0]=4