0 B10R1.17 CCCCC1=CC=CC=C1 27221 [0,0,0,0,0,0|1,0,0]=1 1 B10R1.17 CCCC[N+]1=CC=CC=C1 31412 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.17 CCCC[N+]1=CC=CC=C1 31413 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.17 CNCCC1=CC=CC=C1 23237 [0,0,0,0,0,0|0,0,0]=0 4 B10R1.17 CNCCC1=CC=CN=C1 23587 [0,0,0,0,0,0|1,0,0]=1 5 B10R1.17 CNCCC1=CC=NC=C1 17201 [0,0,0,0,0,0|1,0,0]=1 6 B10R1.17 CNCCC1=NC=CC=C1 23232 [0,0,0,0,0,0|1,0,0]=1 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|3,0,0]=3 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|2,0,2]=4 11 B10R1.17 OCC#CC1=CC=CC=C1 27592 [0,0,0,0,0,0|2,0,2]=4 12 B9R1.8 CCCC1=CC=CC=C1 27219 [1,0,0,0,0,0|0,0,0]=1 13 B9R1.8 CCCC1=CC=CC=C1 29530 [1,0,0,0,0,0|0,0,0]=1 14 B9R1.8 CCOC1=CC=CC=C1 30856 [1,0,0,0,0,0|1,0,0]=2 15 B9R1.8 CCOC1=NC=CC=C1 27481 [1,0,0,0,0,0|2,0,0]=3 16 B9R1.8 CNCC1=CC=CC=C1 23236 [1,0,0,0,0,0|0,0,0]=1 17 B9R1.8 CNCC1=CC=CN=C1 23300 [1,0,0,0,0,0|1,0,0]=2 18 B9R1.8 CNCC1=CC=NC=C1 23632 [1,0,0,0,0,0|1,0,0]=2 19 B9R1.8 CNCC1=NC=CC=C1 23554 [1,0,0,0,0,0|1,0,0]=2 20 B9R1.8 CNCC1=NC=CN=C1 17803 [1,0,0,0,0,0|2,0,0]=3 21 B9R1.8 COCC1=CC=CN=C1 29457 [1,0,0,0,0,0|2,0,0]=3 22 B9R1.8 COCC1=CC=NC=C1 29392 [1,0,0,0,0,0|2,0,0]=3 23 B9R1.8 COCC1=NC=CC=C1 27516 [1,0,0,0,0,0|2,0,0]=3 24 B9R1.8 NCCC1=CC=CC=C1 21747 [1,0,0,0,0,0|0,0,0]=1 25 B9R1.8 NCCC1=NC=CN=C1 17453 [1,0,0,0,0,0|2,0,0]=3 26 B9R1.8 NCCC1=NC=CN=C1 23818 [1,0,0,0,0,0|2,0,0]=3 27 B9R1.8 NOCC1=CC=CC=C1 02279 [1,0,0,0,0,0|1,0,0]=2 28 B9R1.8 OCCC1=CC=CC=C1 01623 [1,0,0,0,0,0|1,0,0]=2 29 B9R1.8 ONCC1=CC=CC=C1 31261 [1,0,0,0,0,0|1,0,0]=2 30 B9R1.8 S=C=NC1=CC=CC=C1 24479 [1,0,0,0,0,0|2,0,1]=4 31 B11R1.1 CCCCC1=CN=C(C)C=C1 21390 [0,1,0,0,0,0|2,0,0]=3 32 B11R1.1 CCCC[N+]1=CC=C(C)C=C1 31416 [0,1,0,0,0,0|2,0,0]=3 33 B11R1.1 CCCC[N+]1=CC=C(C)C=C1 31418 [0,1,0,0,0,0|2,0,0]=3 34 B11R1.1 CNCCC1=CC=C(Cl)C=C1 18383 [0,1,0,0,0,0|0,0,0]=1 35 B11R1.1 CNCCC1=CC=C(O)C=C1 21452 [0,1,0,0,0,0|0,0,0]=1 36 B11R1.16 COC[C@@H](N)C1=CC=CC=C1 16597 [0,1,0,0,0,0|1,0,0]=2 37 B11R1.16 COC[C@H](N)C1=CC=CC=C1 16561 [0,1,0,0,0,0|1,0,0]=2 38 B11R1.16 N#CCC(=O)C1=CC=CC=C1 24454 [0,1,0,0,0,0|2,0,1]=4 39 B11R1.16 N#CCC(O)C1=CC=CC=C1 18031 [0,1,0,0,0,0|2,0,0]=3 40 B11R1.16 NCCC(O)C1=CC=CC=C1 18858 [0,1,0,0,0,0|2,0,0]=3 41 B11R1.16 O=C(CCCl)C1=CC=CC=C1 26765 [0,1,0,0,0,0|2,0,1]=4 42 B11R1.24 CCCCC1=NC(N)=CC=C1 24057 [0,1,0,0,0,0|2,0,0]=3 43 B11R1.24 CNCCC1=CC(C)=CC=C1 19438 [0,1,0,0,0,0|0,0,0]=1 44 B11R1.28 BrCCOCC1=CC=CC=C1 14427 [0,1,0,0,0,0|2,0,0]=3 45 B11R1.28 CNCCCC1=CC=CC=C1 23460 [0,1,0,0,0,0|0,0,0]=1 46 B11R1.28 OCCOCC1=CC=CC=C1 21183 [0,1,0,0,0,0|2,0,0]=3 47 B11R1.40 CC(CN)OC1=CC=CC=C1 23800 [0,1,0,0,0,0|3,0,0]=4 48 B11R1.40 COC(=O)CC1=CC=CC=C1 27176 [0,1,0,0,0,0|1,0,1]=3 49 B11R1.40 NCC(O)CC1=CC=CC=C1 23757 [0,1,0,0,0,0|2,0,0]=3 50 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 03209 [0,1,0,0,0,0|2,0,0]=3 51 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 03208 [0,1,0,0,0,0|2,0,0]=3 52 B11R1.91 CC(=O)NCC1=CC=CC=C1 24146 [0,1,0,0,0,0|2,0,0]=3 53 B11R1.91 CC(=O)OCC1=CC=CC=C1 27188 [0,1,0,0,0,0|2,0,0]=3 54 B11R1.91 NC(=O)OCC1=CC=CC=C1 27153 [0,1,0,0,0,0|3,0,0]=4 55 B11R1.91 O=C(O)CCC1=CC=CC=C1 25774 [0,1,0,0,0,0|2,0,0]=3 56 B11R1.91 O=C(O)CNC1=CC=CC=C1 03076 [0,1,0,0,0,0|3,0,0]=4 57 B11R1.91 O=C([O-])COC1=CC=CC=C1 01413 [0,1,0,0,0,0|3,0,0]=4 58 B11R2.1 CC1=CNC2=C1C=CC=C2 21863 [0,0,0,1,0,0|2,0,1]=4 59 B11R2.1 CN1C=CC2=C1C=CC=C2 22008 [0,0,0,1,0,0|0,0,2]=3 60 B11R2.1 NC1CCC2=NC=CC=C21 20462 [0,0,0,1,0,0|3,0,0]=4 61 B11R2.1 NC1COC2=CC=CC=C21 17963 [0,0,0,1,0,0|3,0,0]=4 62 B11R2.1 O=C1CCC2=C1C=CC=C2 21893 [0,0,0,1,0,0|2,0,0]=3 63 B11R2.1 O=C1CCC2=C1C=CC=N2 20461 [0,0,0,1,0,0|3,0,0]=4 64 B11R2.1 O=C1NCC2=CC=CC=C12 31367 [0,0,0,1,0,0|3,0,0]=4 65 B11R2.1 ON1N=NC2=C1C=CC=C2 24755 [0,0,0,1,0,0|3,0,0]=4 66 B11R2.1 ON1N=NC2=C1C=CC=C2 29819 [0,0,0,1,0,0|3,0,0]=4 67 B11R2.4 NC1CC1C2=CC=CC=C2 20042 [0,0,0,1,0,0|2,0,0]=3 68 B9R1.12 CCCCC1=NC=CN1 28396 [0,0,0,0,1,0|3,0,0]=4 69 B9R1.12 CCCCN1C=CN=C1 27621 [0,0,0,0,1,0|3,0,0]=4 70 B9R1.12 CNCCC1=CC=CS1 20794 [0,0,0,0,1,0|1,0,0]=2 71 B8R1.2 BrCC1=CC=CC=C1 00332 [2,0,0,0,0,0|1,0,0]=3 72 B8R1.2 C#CC1=CC=CC=C1 24540 [2,0,0,0,0,0|0,0,2]=4 73 B8R1.2 CC[N+]1=CC=CC=C1 31419 [2,0,0,0,0,0|1,0,0]=3 74 B8R1.2 CNC1=CN=CC=C1 18208 [2,0,0,0,0,0|1,0,0]=3 75 B8R1.2 COC1=CC=CC=C1 02045 [2,0,0,0,0,0|1,0,0]=3 76 B8R1.2 COC1=CC=NC=C1 28387 [2,0,0,0,0,0|2,0,0]=4 77 B8R1.2 COC1=NC=CC=C1 27017 [2,0,0,0,0,0|2,0,0]=4 78 B8R1.2 ClCC1=CC=CN=C1 06928 [2,0,0,0,0,0|2,0,0]=4 79 B8R1.2 ClCC1=CC=NC=C1 06929 [2,0,0,0,0,0|2,0,0]=4 80 B8R1.2 ClCC1=NC=CC=C1 06927 [2,0,0,0,0,0|2,0,0]=4 81 B8R1.2 N#CC1=CC=CC=C1 27352 [2,0,0,0,0,0|0,0,2]=4 82 B8R1.2 NCC1=CC=CC=C1 29916 [2,0,0,0,0,0|0,0,0]=2 83 B8R1.2 NCC1=CC=CN=C1 27056 [2,0,0,0,0,0|1,0,0]=3 84 B8R1.2 NCC1=CC=NC=C1 27066 [2,0,0,0,0,0|1,0,0]=3 85 B8R1.2 NCC1=CC=NC=C1 28201 [2,0,0,0,0,0|1,0,0]=3 86 B8R1.2 NCC1=CN=CC=N1 23715 [2,0,0,0,0,0|2,0,0]=4 87 B8R1.2 NCC1=NC=CC=N1 18223 [2,0,0,0,0,0|2,0,0]=4 88 B8R1.2 NCC1=NC=CC=N1 23716 [2,0,0,0,0,0|2,0,0]=4 89 B8R1.2 NNC1=CC=CC=C1 02348 [2,0,0,0,0,0|1,0,0]=3 90 B8R1.2 OCC1=CC=CC=C1 00371 [2,0,0,0,0,0|1,0,0]=3 91 B8R1.2 OCC1=CC=CN=C1 27054 [2,0,0,0,0,0|2,0,0]=4 92 B8R1.2 OCC1=CC=NC=C1 12966 [2,0,0,0,0,0|2,0,0]=4 93 B10R1.1 CCCC1=CC=C(Br)C=C1 27327 [1,1,0,0,0,0|0,0,0]=2 94 B10R1.1 CCOC1=CC=C(Br)C=C1 30421 [1,1,0,0,0,0|1,0,0]=3 95 B10R1.1 CCOC1=CC=C(Br)C=N1 25744 [1,1,0,0,0,0|2,0,0]=4 96 B10R1.1 CCOC1=CC=C(N)C=N1 28529 [1,1,0,0,0,0|2,0,0]=4 97 B10R1.1 NCCC1=CC=C(Br)C=C1 18380 [1,1,0,0,0,0|0,0,0]=2 98 B10R1.1 NCCC1=CC=C(N)C=C1 17000 [1,1,0,0,0,0|0,0,0]=2 99 B10R1.1 NCCC1=CC=C(O)C=C1 00831 [1,1,0,0,0,0|0,0,0]=2 100 B10R1.1 NCCC1=CC=C(O)C=C1 21913 [1,1,0,0,0,0|0,0,0]=2 101 B10R1.1 O=CCC1=CC=C(Cl)C=C1 17835 [1,1,0,0,0,0|1,0,1]=4 102 B10R1.1 O=CCC1=CC=C(F)C=C1 17837 [1,1,0,0,0,0|1,0,1]=4 103 B10R1.1 OCCC1=CC=C(Cl)C=C1 26850 [1,1,0,0,0,0|1,0,0]=3 104 B10R1.4 CCOC1=C(Br)C=CC=N1 28270 [1,1,0,0,0,0|2,0,0]=4 105 B10R1.4 CCOC1=C(Br)C=CN=C1 29223 [1,1,0,0,0,0|2,0,0]=4 106 B10R1.4 CCOC1=CC=NC=C1N 28271 [1,1,0,0,0,0|2,0,0]=4 107 B10R1.4 NCCC1=C(N)C=CC=C1 17930 [1,1,0,0,0,0|0,0,0]=2 108 B10R1.4 NOCC1=CC=CC=C1Cl 28477 [1,1,0,0,0,0|1,0,0]=3 109 B10R1.4 NOCC1=CC=CC=C1F 29333 [1,1,0,0,0,0|1,0,0]=3 110 B10R1.10 CCCC1=CC=CC(N)=N1 18146 [1,1,0,0,0,0|1,0,0]=3 111 B10R1.10 CCOC1=CC(F)=CC=C1 28380 [1,1,0,0,0,0|1,0,0]=3 112 B10R1.10 CCOC1=CC=CC(N)=C1 27146 [1,1,0,0,0,0|1,0,0]=3 113 B10R1.10 CCOC1=CC=NC(N)=C1 18996 [1,1,0,0,0,0|2,0,0]=4 114 B10R1.10 CCOC1=NC(Br)=CC=C1 28276 [1,1,0,0,0,0|2,0,0]=4 115 B10R1.10 CCOC1=NC(N)=CC=C1 17759 [1,1,0,0,0,0|2,0,0]=4 116 B10R1.10 CCOC1=NC=CC(N)=C1 17650 [1,1,0,0,0,0|2,0,0]=4 117 B10R1.10 N#CCC1=CC(Br)=CC=C1 26792 [1,1,0,0,0,0|0,0,2]=4 118 B10R1.10 N#CCC1=CC(I)=CC=C1 27588 [1,1,0,0,0,0|0,0,2]=4 119 B10R1.10 N#CCC1=CC(O)=CC=C1 28724 [1,1,0,0,0,0|0,0,2]=4 120 B10R1.15 BrCC(Br)C1=CC=CC=C1 26738 [1,1,0,0,0,0|1,0,0]=3 121 B10R1.15 CCC(=O)C1=CC=CC=C1 27218 [1,1,0,0,0,0|0,0,1]=3 122 B10R1.15 CCC(=O)C1=CC=CN=C1 27485 [1,1,0,0,0,0|1,0,1]=4 123 B10R1.15 CNC(C)C1=CC=CC=C1 28338 [1,1,0,0,0,0|0,0,0]=2 124 B10R1.15 COC(=O)C1=CC=CC=C1 27174 [1,1,0,0,0,0|1,0,1]=4 125 B10R1.15 NCC(O)C1=CC=CC=C1 22012 [1,1,0,0,0,0|0,0,0]=2 126 B10R1.15 NCC(O)C1=CC=CN=C1 17144 [1,1,0,0,0,0|1,0,0]=3 127 B10R1.15 NCC(O)C1=CC=CN=C1 23828 [1,1,0,0,0,0|1,0,0]=3 128 B10R1.15 NCC(O)C1=NC=CC=C1 23837 [1,1,0,0,0,0|1,0,0]=3 129 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 05373 [1,1,0,0,0,0|1,0,0]=3 130 B10R1.15 N[C@H](CO)C1=CC=CC=C1 05372 [1,1,0,0,0,0|1,0,0]=3 131 B10R1.15 O=C(CBr)C1=CC=CC=C1 01681 [1,1,0,0,0,0|1,0,1]=4 132 B10R1.15 O=C(CCl)C1=CC=CC=C1 12998 [1,1,0,0,0,0|1,0,1]=4 133 B10R1.15 OC[C@H](O)C1=CC=CC=C1 24591 [1,1,0,0,0,0|1,0,0]=3 134 B10R1.18 CC(=O)CC1=CN=CC=C1 19862 [1,1,0,0,0,0|1,0,1]=4 135 B10R1.18 CC(=O)CC1=NC=CC=C1 17928 [1,1,0,0,0,0|1,0,1]=4 136 B10R1.18 CC(=O)NC1=CC=CC=C1 06813 [1,1,0,0,0,0|1,0,1]=4 137 B10R1.18 CC(N)CC1=CC=CN=C1 17923 [1,1,0,0,0,0|1,0,0]=3 138 B10R1.18 CC(N)CC1=CC=NC=C1 17924 [1,1,0,0,0,0|1,0,0]=3 139 B10R1.18 CC(N)CC1=CN=CC=N1 17922 [1,1,0,0,0,0|2,0,0]=4 140 B10R1.18 CC(N)CC1=NC=CC=C1 17610 [1,1,0,0,0,0|1,0,0]=3 141 B12R1.1 COCCOC1=CC=C(O)C=C1 20176 [0,2,0,0,0,0|1,0,0]=3 142 B12R1.1 N#CCCOC1=CC=C(F)C=C1 24698 [0,2,0,0,0,0|2,0,0]=4 143 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 32525 [0,2,0,0,0,0|0,0,0]=2 144 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 32526 [0,2,0,0,0,0|0,0,0]=2 145 B12R1.16 N[C@H](CCO)C1=CC=C(Br)C=C1 29732 [0,2,0,0,0,0|2,0,0]=4 146 B12R1.21 CC1=CC=C(CCC(=O)O)C=C1 25777 [0,2,0,0,0,0|2,0,0]=4 147 B12R1.21 CN(C)CCC1=CC=C(N)C=C1 20175 [0,2,0,0,0,0|0,0,0]=2 148 B12R1.21 CN(C)CCC1=CC=C(O)C=C1 32480 [0,2,0,0,0,0|0,0,0]=2 149 B12R1.21 O=C(O)CCC1=CC=C(Br)C=C1 25775 [0,2,0,0,0,0|2,0,0]=4 150 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 25776 [0,2,0,0,0,0|2,0,0]=4 151 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 05284 [0,2,0,0,0,0|2,0,0]=4 152 B12R1.49 N[C@@H](CO)CC1=CC=C(O)C=C1 16170 [0,2,0,0,0,0|2,0,0]=4 153 B12R1.49 N[C@@H](CO)CC1=CC=C(O)C=C1 16629 [0,2,0,0,0,0|2,0,0]=4 154 B12R1.49 N[C@H](CO)CC1=CC=C(O)C=C1 16227 [0,2,0,0,0,0|2,0,0]=4 155 B12R1.71 CNCCC1=CC=C(OC)C=C1 18390 [0,2,0,0,0,0|0,0,0]=2 156 B12R1.71 COC1=CC=C(CCCO)C=C1 30819 [0,2,0,0,0,0|2,0,0]=4 157 B12R1.17 CNCC(O)C1=CC(O)=CC=C1 32506 [0,2,0,0,0,0|0,0,0]=2 158 B12R1.17 CNC[C@H](O)C1=CC(O)=CC=C1 32504 [0,2,0,0,0,0|0,0,0]=2 159 B12R1.17 CNC[C@H](O)C1=CC(O)=CC=C1 32505 [0,2,0,0,0,0|0,0,0]=2 160 B12R1.30 CCCCC(=O)C1=CC=CC=C1 30357 [0,2,0,0,0,0|1,0,0]=3 161 B12R1.30 N#CCCC(=O)C1=CC=CC=C1 25909 [0,2,0,0,0,0|2,0,0]=4 162 B12R1.34 COC(=O)[C@@H](N)C1=CC=CC=C1 03127 [0,2,0,0,0,0|1,0,1]=4 163 B12R1.34 COC(=O)[C@@H](O)C1=CC=CC=C1 16613 [0,2,0,0,0,0|1,0,1]=4 164 B12R1.34 COC(=O)[C@H](N)C1=CC=CC=C1 05997 [0,2,0,0,0,0|1,0,1]=4 165 B12R1.34 COC(=O)[C@H](O)C1=CC=CC=C1 16541 [0,2,0,0,0,0|1,0,1]=4 166 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 02274 [0,2,0,0,0,0|1,0,1]=4 167 B12R1.107 CN(C)CC(N)C1=CC=CC=C1 23435 [0,2,0,0,0,0|0,0,0]=2 168 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 29996 [0,2,0,0,0,0|2,0,0]=4 169 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 15326 [0,2,0,0,0,0|2,0,0]=4 170 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 15327 [0,2,0,0,0,0|2,0,0]=4 171 B12R1.125 O=C(O)CCC1=C(O)C=CC=C1 27370 [0,2,0,0,0,0|2,0,0]=4 172 B12R1.8 CNCCCCC1=CC=CC=C1 23811 [0,2,0,0,0,0|0,0,0]=2 173 B12R1.8 ClCCCCCC1=CC=CC=C1 22329 [0,2,0,0,0,0|1,0,0]=3 174 B12R1.8 ClCCCCOC1=CC=CC=C1 22399 [0,2,0,0,0,0|1,0,0]=3 175 B12R1.27 NCC(=O)OCC1=CC=CC=C1 03071 [0,2,0,0,0,0|2,0,0]=4 176 B12R1.27 NCC(=O)OCC1=CC=CC=C1 03352 [0,2,0,0,0,0|2,0,0]=4 177 B12R1.27 NNC(=O)OCC1=CC=CC=C1 05288 [0,2,0,0,0,0|1,0,1]=4 178 B12R1.27 O=C(NO)OCC1=CC=CC=C1 31324 [0,2,0,0,0,0|1,0,1]=4 179 B12R1.32 CCOC(=O)CC1=CC=CC=C1 27212 [0,2,0,0,0,0|1,0,1]=4 180 B12R1.252 O=C(O)CCCC1=CC=CC=C1 30722 [0,2,0,0,0,0|1,0,1]=4 181 B12R1.252 O=C(O)CNCC1=CC=CC=C1 05637 [0,2,0,0,0,0|2,0,0]=4 182 B12R1.252 O=C(O)CNCC1=CC=CC=C1 17126 [0,2,0,0,0,0|2,0,0]=4 183 B12R1.252 O=C(O)COCC1=CC=CC=C1 28313 [0,2,0,0,0,0|2,0,0]=4 184 B12R1.43 CN(C)C(=O)CC1=CC=CC=C1 24165 [0,2,0,0,0,0|0,0,1]=3 185 B12R1.43 NC(=O)C(N)CC1=CC=CC=C1 08461 [0,2,0,0,0,0|2,0,0]=4 186 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 03113 [0,2,0,0,0,0|2,0,0]=4 187 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 06180 [0,2,0,0,0,0|2,0,0]=4 188 B12R1.43 NC(=O)[C@H](N)CC1=CC=CC=C1 03114 [0,2,0,0,0,0|2,0,0]=4 189 B12R1.43 NC(=O)[C@H](N)CC1=CC=CC=C1 05994 [0,2,0,0,0,0|2,0,0]=4 190 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O 00710 [0,2,0,0,0,0|2,0,0]=4 191 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O 00243 [0,2,0,0,0,0|2,0,0]=4 192 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O 00244 [0,2,0,0,0,0|2,0,0]=4 193 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 08027 [0,2,0,0,0,0|2,0,0]=4 194 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 09427 [0,2,0,0,0,0|2,0,0]=4 195 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 08031 [0,2,0,0,0,0|2,0,0]=4 196 B12R1.891 CC(C)(C)NCC1=CC=CC=C1 27196 [0,2,0,0,0,0|2,0,0]=4 197 B10R2.7 C1=CC2=C(C=C1)CC=C2 21927 [1,0,0,1,0,0|0,0,2]=4 198 B10R2.7 C1=CC2=C(C=C1)NC=C2 21854 [1,0,0,1,0,0|0,0,2]=4 199 B10R2.7 C1=CC2=C(C=C1)NC=N2 26958 [1,0,0,1,0,0|1,0,1]=4 200 B10R2.7 C1=CC2=C(C=C1)NN=N2 24501 [1,0,0,1,0,0|2,0,0]=4 201 B10R2.7 C1=CC2=C(CCC2)N=C1 26968 [1,0,0,1,0,0|1,0,0]=3 202 B10R2.7 C1=CC2=C(N=C1)NCC2 28977 [1,0,0,1,0,0|1,0,0]=3 203 B12R2.24 BrC1=CC2=C(C=C1)CCNC2 18151 [0,1,0,1,0,0|0,0,0]=2 204 B12R2.24 BrC1=CN=C2CCNCC2=C1 18027 [0,1,0,1,0,0|1,0,0]=3 205 B12R2.24 CC1=CC=C2CCNCC2=C1 20603 [0,1,0,1,0,0|0,0,0]=2 206 B12R2.24 CC1=CC=C2CNCCC2=C1 20552 [0,1,0,1,0,0|0,0,0]=2 207 B12R2.24 ClC1=CC2=C(C=C1)CCNC2 19248 [0,1,0,1,0,0|0,0,0]=2 208 B12R2.24 ClC1=CC=C2CNCCC2=C1 19194 [0,1,0,1,0,0|0,0,0]=2 209 B12R2.24 ClC1=CC=C2CNCCC2=C1 19195 [0,1,0,1,0,0|0,0,0]=2 210 B12R2.24 FC1=CC=C2CCNCC2=C1 19254 [0,1,0,1,0,0|0,0,0]=2 211 B12R2.24 FC1=CC=C2CNCCC2=C1 19208 [0,1,0,1,0,0|0,0,0]=2 212 B12R2.24 FC1=CC=C2CNCCC2=C1 19209 [0,1,0,1,0,0|0,0,0]=2 213 B12R2.24 NC1=CC2=C(C=C1)CCNC2 17886 [0,1,0,1,0,0|0,0,0]=2 214 B12R2.24 NC1=CC2=C(C=C1)CNCC2 19166 [0,1,0,1,0,0|0,0,0]=2 215 B12R2.24 NC1CCC2=C(C=CC=C2)C1 18439 [0,1,0,1,0,0|1,0,0]=3 216 B12R2.24 NC1COC2=C(C=CC=C2)C1 20658 [0,1,0,1,0,0|2,0,0]=4 217 B12R2.24 O=C1CC2=C(C=CC=C2)CN1 18446 [0,1,0,1,0,0|0,0,1]=3 218 B12R2.24 O=C1CCC2=C(C=CC=C2)C1 14365 [0,1,0,1,0,0|1,0,0]=3 219 B12R2.24 OC1=CC2=C(C=C1)CNCC2 17885 [0,1,0,1,0,0|0,0,0]=2 220 B12R2.132 CC1=CC=C2CCC(=O)C2=C1 25790 [0,1,0,1,0,0|2,0,0]=4 221 B12R2.132 CN1C=NC2=C1C=C(Br)C=C2 26274 [0,1,0,1,0,0|1,0,1]=4 222 B12R2.132 CN1N=CC2=C1C=C(Br)C=C2 26318 [0,1,0,1,0,0|1,0,1]=4 223 B12R2.132 CN1N=CC2=C1C=C(N)C=C2 18521 [0,1,0,1,0,0|1,0,1]=4 224 B12R2.132 O=C1CCC2=C1C=C(Br)C=C2 25792 [0,1,0,1,0,0|2,0,0]=4 225 B12R2.132 O=C1CCC2=C1C=C(Cl)C=C2 25791 [0,1,0,1,0,0|2,0,0]=4 226 B12R2.132 O=C1CCC2=C1C=C(F)C=C2 25793 [0,1,0,1,0,0|2,0,0]=4 227 B12R2.2 C1=CC(C2CCCN2)=CC=N1 23441 [0,1,0,1,0,0|2,0,0]=4 228 B12R2.2 C1=CC(C2CCNC2)=CN=C1 17380 [0,1,0,1,0,0|1,0,0]=3 229 B12R2.2 C1=CC(N2CCCC2)=CC=N1 02356 [0,1,0,1,0,0|2,0,0]=4 230 B12R2.2 C1=CC=C(C2CCCN2)C=C1 23494 [0,1,0,1,0,0|1,0,0]=3 231 B12R2.2 C1=CC=C(C2CCNC2)C=C1 23419 [0,1,0,1,0,0|0,0,0]=2 232 B12R2.2 C1=CN=C(C2CCCN2)C=C1 16992 [0,1,0,1,0,0|2,0,0]=4 233 B12R2.2 C1=CN=C(C2CCNC2)C=C1 17254 [0,1,0,1,0,0|1,0,0]=3 234 B12R2.2 C1=CN=C(C2CCNC2)C=N1 23606 [0,1,0,1,0,0|2,0,0]=4 235 B12R2.2 C1=CN=CC(C2CCCN2)=C1 23240 [0,1,0,1,0,0|2,0,0]=4 236 B12R2.1081 ClC1=C2CNCCC2=CC=C1 20617 [0,1,0,1,0,0|0,0,0]=2 237 B12R2.1081 NC1CCCC2=NC=CC=C21 19063 [0,1,0,1,0,0|2,0,0]=4 238 B12R2.1081 NC1CCOC2=C1C=CC=C2 17363 [0,1,0,1,0,0|2,0,0]=4 239 B12R2.1081 N[C@@H]1CCOC2=C1C=CC=C2 19637 [0,1,0,1,0,0|2,0,0]=4 240 B12R2.1081 N[C@H]1CCOC2=CC=CC=C21 18346 [0,1,0,1,0,0|2,0,0]=4 241 B12R2.1081 O=C1CCNC2=C1C=CC=C2 17242 [0,1,0,1,0,0|2,0,0]=4 242 B12R2.1081 O=C1CCOC2=C1C=CC=C2 24650 [0,1,0,1,0,0|2,0,0]=4 243 B12R2.1081 O=C1NCCC2=C1C=CC=C2 20083 [0,1,0,1,0,0|0,0,1]=3 244 B12R2.1081 OC1CCCC2=CC=CC=C21 26786 [0,1,0,1,0,0|1,0,0]=3 245 B12R2.2028 CN1N=C(Br)C2=CC=CC=C21 26411 [0,1,0,1,0,0|1,0,1]=4 246 B12R2.32 OC[C@@H]1CC2=C(C=CC=C2)N1 16551 [0,1,0,1,0,0|2,0,0]=4 247 B12R2.196 CN1N=CC2=C(Br)C=CC=C21 24040 [0,1,0,1,0,0|1,0,1]=4 248 B12R2.196 CN1N=CC2=C(F)C=CC=C21 26356 [0,1,0,1,0,0|1,0,1]=4 249 B12R2.196 CN1N=CC2=C(N)C=CC=C21 24738 [0,1,0,1,0,0|1,0,1]=4 250 B12R2.196 O=C1CCC2=C1C=CC=C2Br 31298 [0,1,0,1,0,0|2,0,0]=4 251 B12R2.203 CN1N=CC2=CC=CC(N)=C21 24028 [0,1,0,1,0,0|1,0,1]=4 252 B12R2.612 CC1=CC2=C(C=C1)C(=O)CC2 30815 [0,1,0,1,0,0|2,0,0]=4 253 B12R2.612 CN1C=NC2=C1C=CC(O)=C2 23282 [0,1,0,1,0,0|1,0,1]=4 254 B12R2.612 CN1N=CC2=C1C=CC(Br)=C2 26317 [0,1,0,1,0,0|1,0,1]=4 255 B12R2.612 CN1N=CC2=C1C=CC(N)=C2 18520 [0,1,0,1,0,0|1,0,1]=4 256 B12R2.612 O=C1CCC2=C1C=CC(Br)=C2 24606 [0,1,0,1,0,0|2,0,0]=4 257 B12R2.612 O=C1CCC2=C1C=CC(Cl)=C2 27603 [0,1,0,1,0,0|2,0,0]=4 258 B12R2.612 O=C1CCC2=C1C=CC(F)=C2 21251 [0,1,0,1,0,0|2,0,0]=4 259 B12R2.612 O=C1CCC2=C1C=CC(I)=C2 26295 [0,1,0,1,0,0|2,0,0]=4 260 B12R2.1 NCC1CCC2=C1C=CC=C2 19369 [0,1,0,1,0,0|1,0,0]=3 261 B12R2.18 CC1=CC2=C(C=CC=C2)N1C 21185 [0,1,0,1,0,0|0,0,2]=4 262 B8R1.8 CCCC1=NC=CN1 27740 [1,0,0,0,1,0|2,0,0]=4 263 B8R1.8 CCCN1C=CN=C1 27748 [1,0,0,0,1,0|2,0,0]=4 264 B8R1.8 CNCC1=CC=CS1 17366 [1,0,0,0,1,0|1,0,0]=3 265 B8R1.8 CNCC1=CSC=N1 19450 [1,0,0,0,1,0|2,0,0]=4 266 B8R1.8 CNCC1=NC=CS1 19449 [1,0,0,0,1,0|2,0,0]=4 267 B8R1.8 CNCC1=NOC=C1 19427 [1,0,0,0,1,0|2,0,0]=4 268 B8R1.8 NCCC1=CNC=N1 00178 [1,0,0,0,1,0|2,0,0]=4 269 B8R1.8 NCCC1=CNC=N1 21888 [1,0,0,0,1,0|2,0,0]=4 270 B8R1.8 NCCC1=CNC=N1 32474 [1,0,0,0,1,0|2,0,0]=4 271 B8R1.8 NCCC1=CON=C1 18732 [1,0,0,0,1,0|2,0,0]=4 272 B8R1.8 NCCC1=CSC=C1 26286 [1,0,0,0,1,0|1,0,0]=3 273 B8R1.8 NCCC1=NC=CS1 18801 [1,0,0,0,1,0|2,0,0]=4 274 B8R1.8 NCCN1C=CN=C1 23546 [1,0,0,0,1,0|2,0,0]=4 275 B8R1.8 NCCN1C=CN=C1 23717 [1,0,0,0,1,0|2,0,0]=4