0 B10R1.18 BrC(Br)=CC1=CC=CC=C1 SY022051 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.18 CC(=O)CC1=CC=NC=C1 SY002437 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.18 CC(=O)CC1=CC=NC=C1 SY005221 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.18 CC(=O)CC1=NC=CC=C1 SY002438 [0,0,0,0,0,0|2,0,0]=2 4 B10R1.18 CC(C)=CC1=CC=CC=C1 SY055240 [0,0,0,0,0,0|2,0,1]=3 5 B10R1.18 CC(C)CC1=CC=NC=C1 SY028398 [0,0,0,0,0,0|3,0,1]=4 6 B10R1.18 CC(O)CC1=CC=CC=C1 SY051093 [0,0,0,0,0,0|1,0,1]=2 7 B10R1.18 FC(F)CC1=CC=CC=C1 SY265774 [0,0,0,0,0,0|2,0,1]=3 8 B10R1.18 N=C(N)NC1=CC=CC=C1 SY059286 [0,0,0,0,0,0|3,0,0]=3 9 B10R1.18 NC(=O)CC1=CC=CC=C1 SY017094 [0,0,0,0,0,0|1,0,0]=1 10 B10R1.18 NC(=O)OC1=CC=CC=C1 SY109407 [0,0,0,0,0,0|2,0,0]=2 11 B10R1.18 NC(=S)NC1=NC=CC=C1 SY050007 [0,0,0,0,0,0|3,1,0]=4 12 B10R1.18 O=C(O)CC1=CC=CN=C1 SY001707 [0,0,0,0,0,0|1,0,0]=1 13 B10R1.18 O=C(O)CC1=CC=NC=C1 SY003595 [0,0,0,0,0,0|1,0,0]=1 14 B10R1.18 O=C(O)CC1=CCCCC1 SY106338 [0,0,0,0,0,0|0,0,4]=4 15 B10R1.18 O=C(O)CC1=CN=CN=C1 SY020567 [0,0,0,0,0,0|2,0,0]=2 16 B10R1.18 O=C(O)CC1=NC=CC=C1 SY003293 [0,0,0,0,0,0|1,0,0]=1 17 B10R1.18 O=C(O)CC1=NC=CC=N1 SY004102 [0,0,0,0,0,0|2,0,0]=2 18 B10R1.18 O=C(O)CC1=NC=CN=C1 SY034525 [0,0,0,0,0,0|2,0,0]=2 19 B9R1.8 BrCCC1=NC=CC=C1 SY004999 [1,0,0,0,0,0|2,0,1]=4 20 B9R1.8 CC#CC1=CC=CC=C1 SY048557 [1,0,0,0,0,0|1,0,2]=4 21 B9R1.8 CCCC1=NC=CC=C1 SY035538 [1,0,0,0,0,0|2,0,1]=4 22 B9R1.8 CNCC1=CC=CN=C1 SY002368 [1,0,0,0,0,0|3,0,0]=4 23 B9R1.8 CNCC1=CC=NC=C1 SY002386 [1,0,0,0,0,0|3,0,0]=4 24 B9R1.8 CNCC1=NC=CC=C1 SY003781 [1,0,0,0,0,0|3,0,0]=4 25 B9R1.8 COCC1=CC=CC=C1 SY049310 [1,0,0,0,0,0|2,0,0]=3 26 B9R1.8 N#CCC1=CC=NC=C1 SY012818 [1,0,0,0,0,0|2,0,1]=4 27 B9R1.8 N#COC1=CC=CC=C1 SY139763 [1,0,0,0,0,0|2,0,1]=4 28 B9R1.8 NCCC1=CC=CN=C1 SY003234 [1,0,0,0,0,0|2,0,1]=4 29 B9R1.8 NNCC1=CC=CC=C1 SY004756 [1,0,0,0,0,0|2,0,0]=3 30 B9R1.8 NNCC1=CC=CC=C1 SY004764 [1,0,0,0,0,0|2,0,0]=3 31 B9R1.8 NNCC1=NC=CC=C1 SY042125 [1,0,0,0,0,0|3,0,0]=4 32 B9R1.8 NOCC1=CC=CC=C1 SY005671 [1,0,0,0,0,0|2,0,0]=3 33 B9R1.8 NOCC1=CC=CC=C1 SY018100 [1,0,0,0,0,0|2,0,0]=3 34 B9R1.8 NOCC1=CC=CN=C1 SY029692 [1,0,0,0,0,0|3,0,0]=4 35 B9R1.8 NOCC1=CC=CN=C1 SY281597 [1,0,0,0,0,0|3,0,0]=4 36 B9R1.8 NOCC1=CC=NC=C1 SY281602 [1,0,0,0,0,0|3,0,0]=4 37 B9R1.8 NOCC1=CC=NC=C1 SY281603 [1,0,0,0,0,0|3,0,0]=4 38 B9R1.8 NOCC1=NC=CC=C1 SY281576 [1,0,0,0,0,0|3,0,0]=4 39 B9R1.8 NOCC1=NC=CC=C1 SY281577 [1,0,0,0,0,0|3,0,0]=4 40 B9R1.8 O=C=NC1=NC=CC=C1 SY128122 [1,0,0,0,0,0|2,0,1]=4 41 B9R1.8 O=CNC1=CC=CC=C1 SY011224 [1,0,0,0,0,0|1,0,0]=2 42 B9R1.8 O=COC1=CC=CC=C1 SY106351 [1,0,0,0,0,0|1,0,0]=2 43 B9R1.8 OCCC1=CC=CN=C1 SY004170 [1,0,0,0,0,0|1,0,1]=3 44 B9R1.8 OCCC1=CC=NC=C1 SY001138 [1,0,0,0,0,0|1,0,1]=3 45 B9R1.8 OCCC1=NC=CN=C1 SY025413 [1,0,0,0,0,0|2,0,1]=4 46 B9R1.8 ONCC1=CC=CC=C1 SY019534 [1,0,0,0,0,0|1,0,0]=2 47 B9R1.8 ONCC1=CC=CC=C1 SY024088 [1,0,0,0,0,0|1,0,0]=2 48 B9R1.8 O\N=C\C1=CC=CC=C1 SY112944 [1,0,0,0,0,0|1,0,1]=3 49 B9R1.8 O\N=C\C1=CC=CC=N1 SY016016 [1,0,0,0,0,0|2,0,1]=4 50 B9R1.8 SCCC1=CC=CC=C1 SY039368 [1,0,0,0,0,0|0,1,1]=3 51 B9R1.8 [C-]#[N+]CC1=CC=NC=C1 SY263029 [1,0,0,0,0,0|3,0,0]=4 52 B11R1.20 CC(=O)CC1=CC=C(Br)C=C1 SY045434 [0,1,0,0,0,0|1,0,0]=2 53 B11R1.20 CC(=O)CC1=CC=C(C)C=C1 SY042746 [0,1,0,0,0,0|1,0,0]=2 54 B11R1.20 CC(=O)CC1=CC=C(Cl)C=C1 SY017113 [0,1,0,0,0,0|1,0,0]=2 55 B11R1.20 CC(=O)CC1=CC=C(F)C=C1 SY017054 [0,1,0,0,0,0|1,0,0]=2 56 B11R1.20 CC(=O)NC1=CC=C(Br)C=C1 SY049651 [0,1,0,0,0,0|2,0,0]=3 57 B11R1.20 CC(=O)NC1=CC=C(C)C=C1 SY035719 [0,1,0,0,0,0|2,0,0]=3 58 B11R1.20 CC(=O)NC1=CC=C(O)C=C1 SY001162 [0,1,0,0,0,0|2,0,0]=3 59 B11R1.20 CC(=O)NC1=NC=C(Br)C=C1 SY022132 [0,1,0,0,0,0|3,0,0]=4 60 B11R1.20 CC(=O)OC1=CC=C(F)C=C1 SY016072 [0,1,0,0,0,0|2,0,0]=3 61 B11R1.20 CC(=O)OC1=CC=C(N)C=C1 SY233693 [0,1,0,0,0,0|2,0,0]=3 62 B11R1.20 CC(C)CC1=CC=C(N)C=C1 SY035752 [0,1,0,0,0,0|2,0,1]=4 63 B11R1.20 CC1=CC=C(CC(=O)Cl)C=C1 SY246635 [0,1,0,0,0,0|1,0,0]=2 64 B11R1.20 CC1=CC=C(CC(=O)O)C=C1 SY013543 [0,1,0,0,0,0|0,0,0]=1 65 B11R1.20 CC1=CC=C(CC(=O)O)C=N1 SY031092 [0,1,0,0,0,0|1,0,0]=2 66 B11R1.20 CN(C)CC1=CC=C(N)C=C1 SY003571 [0,1,0,0,0,0|3,0,0]=4 67 B11R1.20 NC(=O)CC1=CC=C(Br)C=C1 SY132432 [0,1,0,0,0,0|1,0,0]=2 68 B11R1.20 NC(=O)CC1=CC=C(O)C=C1 SY001683 [0,1,0,0,0,0|1,0,0]=2 69 B11R1.20 NC1=CC=C(CC(=O)O)C=C1 SY001637 [0,1,0,0,0,0|0,0,0]=1 70 B11R1.20 O=C(Cl)OC1=CC=C(Br)C=C1 SY113865 [0,1,0,0,0,0|2,0,0]=3 71 B11R1.20 O=C(Cl)OC1=CC=C(I)C=C1 SY296872 [0,1,0,0,0,0|2,0,0]=3 72 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 SY001685 [0,1,0,0,0,0|0,0,0]=1 73 B11R1.20 O=C(O)CC1=CC=C(Cl)N=C1 SY041953 [0,1,0,0,0,0|1,0,0]=2 74 B11R1.20 O=C(O)CC1=CC=C(F)C=C1 SY001347 [0,1,0,0,0,0|0,0,0]=1 75 B11R1.20 O=C(O)CC1=CC=C(I)C=C1 SY016997 [0,1,0,0,0,0|0,0,0]=1 76 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 SY004128 [0,1,0,0,0,0|0,0,0]=1 77 B11R1.20 O=C(O)CC1=NC=C(Br)C=C1 SY097003 [0,1,0,0,0,0|1,0,0]=2 78 B11R1.20 O=C(O)CC1=NC=C(F)C=C1 SY039154 [0,1,0,0,0,0|1,0,0]=2 79 B11R1.36 C=C(B(O)O)C1=CC=CC=C1 SY024635 [0,1,0,0,0,0|1,0,2]=4 80 B11R1.36 C=C(C(=O)O)C1=CC=CC=C1 SY051220 [0,1,0,0,0,0|0,0,1]=2 81 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 SY036428 [0,1,0,0,0,0|1,0,1]=3 82 B11R1.36 CC(=O)C(O)C1=CC=CC=C1 SY028287 [0,1,0,0,0,0|1,0,0]=2 83 B11R1.36 CC(=O)N(C)C1=CC=CC=C1 SY053096 [0,1,0,0,0,0|2,0,0]=3 84 B11R1.36 CC(C(=O)O)C1=CC=CC=C1 SY004963 [0,1,0,0,0,0|0,0,0]=1 85 B11R1.36 C[C@@H](C(=O)O)C1=CC=CC=C1 SY020842 [0,1,0,0,0,0|0,0,0]=1 86 B11R1.36 C[C@H](C(=O)O)C1=CC=CC=C1 SY021075 [0,1,0,0,0,0|0,0,0]=1 87 B11R1.36 NC(=O)[C@@H](N)C1=CC=CC=C1 SY009237 [0,1,0,0,0,0|1,0,0]=2 88 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 SY006358 [0,1,0,0,0,0|0,0,0]=1 89 B11R1.36 NC(C(=O)O)C1=CC=CN=C1 SY015083 [0,1,0,0,0,0|1,0,0]=2 90 B11R1.36 NC(C(=O)O)C1=CC=CN=C1 SY184594 [0,1,0,0,0,0|1,0,0]=2 91 B11R1.36 NC(C(=O)O)C1=NC=CC=C1 SY022365 [0,1,0,0,0,0|1,0,0]=2 92 B11R1.36 NC(C(=O)O)C1=NC=CC=C1 SY032366 [0,1,0,0,0,0|1,0,0]=2 93 B11R1.36 N[C@@H](C(=O)O)C1=CC=CC=C1 SY006196 [0,1,0,0,0,0|0,0,0]=1 94 B11R1.36 N[C@H](C(=O)O)C1=CC=CC=C1 SY005672 [0,1,0,0,0,0|0,0,0]=1 95 B11R1.36 O=C(O)C(=O)C1=CC=CC=C1 SY004129 [0,1,0,0,0,0|0,0,1]=2 96 B11R1.36 O=C(O)C(Cl)C1=CC=CC=C1 SY110356 [0,1,0,0,0,0|0,0,0]=1 97 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 SY001670 [0,1,0,0,0,0|0,0,0]=1 98 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 SY289327 [0,1,0,0,0,0|0,0,0]=1 99 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 SY001645 [0,1,0,0,0,0|0,0,0]=1 100 B11R1.40 C=CC(=O)NC1=CC=CC=C1 SY052499 [0,1,0,0,0,0|2,0,0]=3 101 B11R1.40 C=CC(=O)OC1=CC=CC=C1 SY050025 [0,1,0,0,0,0|2,0,0]=3 102 B11R1.40 COC(=O)CC1=CC=CN=C1 SY014800 [0,1,0,0,0,0|1,0,0]=2 103 B11R1.40 COC(=O)CC1=CC=CN=C1 SY033634 [0,1,0,0,0,0|1,0,0]=2 104 B11R1.40 COC(=O)CC1=CC=NC=C1 SY003565 [0,1,0,0,0,0|1,0,0]=2 105 B11R1.40 COC(=O)CC1=CC=NC=C1 SY007994 [0,1,0,0,0,0|1,0,0]=2 106 B11R1.40 COC(=O)CC1=NC=CC=C1 SY030291 [0,1,0,0,0,0|1,0,0]=2 107 B11R1.40 COC(=O)CC1=NC=CC=N1 SY005830 [0,1,0,0,0,0|2,0,0]=3 108 B11R1.40 COC(=O)C[N+]1=NC=CC=C1 SY286050 [0,1,0,0,0,0|2,0,0]=3 109 B11R1.40 N#CC(=O)CC1=CC=CC=C1 SY235509 [0,1,0,0,0,0|1,0,0]=2 110 B11R1.40 NC(CF)CC1=CC=CC=C1 SY045874 [0,1,0,0,0,0|2,0,1]=4 111 B11R1.40 NC(CO)CC1=CC=CC=C1 SY030554 [0,1,0,0,0,0|1,0,1]=3 112 B11R1.40 NNC(=O)CC1=CC=CC=C1 SY032275 [0,1,0,0,0,0|1,0,0]=2 113 B11R1.40 NNC(=O)OC1=CC=CC=C1 SY262826 [0,1,0,0,0,0|2,0,0]=3 114 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 SY013878 [0,1,0,0,0,0|1,0,1]=3 115 B11R1.40 N[C@H](CF)CC1=CC=CC=C1 SY045873 [0,1,0,0,0,0|2,0,1]=4 116 B11R1.40 O=C(CBr)OC1=CC=CC=C1 SY036432 [0,1,0,0,0,0|2,0,0]=3 117 B11R1.40 O=C(CCl)NC1=CC=NC=C1 SY022530 [0,1,0,0,0,0|3,0,0]=4 118 B11R1.40 O=C(CCl)NC1=NC=CC=C1 SY022508 [0,1,0,0,0,0|3,0,0]=4 119 B11R1.40 O=C\C(Br)=C\C1=CC=CC=C1 SY048553 [0,1,0,0,0,0|1,0,1]=3 120 B11R1.40 ON=C(Cl)CC1=CC=CC=C1 SY039705 [0,1,0,0,0,0|1,0,0]=2 121 B11R1.86 CC(=O)CC1=C(Br)C=CC=C1 SY011510 [0,1,0,0,0,0|1,0,0]=2 122 B11R1.86 CC(=O)CC1=C(Cl)C=CC=C1 SY037165 [0,1,0,0,0,0|1,0,0]=2 123 B11R1.86 CC(=O)NC1=C(Br)C=CC=C1 SY034454 [0,1,0,0,0,0|2,0,0]=3 124 B11R1.86 CC(=O)NC1=C(O)C=CC=C1 SY004721 [0,1,0,0,0,0|2,0,0]=3 125 B11R1.86 CC(=O)NC1=CC=CC=C1Cl SY048591 [0,1,0,0,0,0|2,0,0]=3 126 B11R1.86 CC(=O)NC1=CC=CC=C1N SY050887 [0,1,0,0,0,0|2,0,0]=3 127 B11R1.86 CC(=O)NC1=NC=CC=C1O SY084890 [0,1,0,0,0,0|3,0,0]=4 128 B11R1.86 CC(=O)OC1=CC=CC=C1Br SY265515 [0,1,0,0,0,0|2,0,0]=3 129 B11R1.86 CC(=O)OC1=CC=CC=C1C SY052277 [0,1,0,0,0,0|2,0,0]=3 130 B11R1.86 CC(=O)OC1=CC=CC=C1F SY224313 [0,1,0,0,0,0|2,0,0]=3 131 B11R1.86 CC(C)CC1=CC=CC=C1N SY036357 [0,1,0,0,0,0|2,0,1]=4 132 B11R1.86 CC1=C(OC(=O)Cl)C=CC=C1 SY296811 [0,1,0,0,0,0|2,0,0]=3 133 B11R1.86 CC1=CC=CC=C1CC(=O)O SY003130 [0,1,0,0,0,0|0,0,0]=1 134 B11R1.86 N=C(N)CC1=C(Cl)C=CC=C1 SY003979 [0,1,0,0,0,0|2,0,0]=3 135 B11R1.86 NC(=O)CC1=CC=CC=C1Cl SY016301 [0,1,0,0,0,0|1,0,0]=2 136 B11R1.86 NC(=S)NC1=CC=CC=C1F SY038266 [0,1,0,0,0,0|2,1,0]=4 137 B11R1.86 NC1=CC=CC=C1CC(=O)O SY101243 [0,1,0,0,0,0|0,0,0]=1 138 B11R1.86 O=C(Cl)OC1=CC=CC=C1Br SY296808 [0,1,0,0,0,0|2,0,0]=3 139 B11R1.86 O=C(Cl)OC1=CC=CC=C1F SY202667 [0,1,0,0,0,0|2,0,0]=3 140 B11R1.86 O=C(Cl)OC1=CC=CC=C1I SY296904 [0,1,0,0,0,0|2,0,0]=3 141 B11R1.86 O=C(O)CC1=CC=CC=C1Br SY003588 [0,1,0,0,0,0|0,0,0]=1 142 B11R1.86 O=C(O)CC1=CC=CC=C1F SY003125 [0,1,0,0,0,0|0,0,0]=1 143 B11R1.86 O=C(O)CC1=CC=CC=C1I SY035508 [0,1,0,0,0,0|0,0,0]=1 144 B11R1.86 O=C(O)CC1=CC=CN=C1Cl SY096906 [0,1,0,0,0,0|1,0,0]=2 145 B11R1.86 O=C(O)CC1=NC=CC=C1F SY058130 [0,1,0,0,0,0|1,0,0]=2 146 B11R1.157 CC(=O)CC1=CC=CC(Cl)=C1 SY050661 [0,1,0,0,0,0|1,0,0]=2 147 B11R1.157 CC(=O)CC1=NC=CC(Br)=C1 SY249484 [0,1,0,0,0,0|2,0,0]=3 148 B11R1.157 CC(=O)NC1=CC(Br)=CN=C1 SY128013 [0,1,0,0,0,0|3,0,0]=4 149 B11R1.157 CC(=O)NC1=CC(Cl)=NC=C1 SY064864 [0,1,0,0,0,0|3,0,0]=4 150 B11R1.157 CC(=O)NC1=CC=CC(F)=C1 SY040632 [0,1,0,0,0,0|2,0,0]=3 151 B11R1.157 CC(=O)NC1=CC=CC(N)=C1 SY006038 [0,1,0,0,0,0|2,0,0]=3 152 B11R1.157 CC(=O)NC1=NC(N)=CC=C1 SY025653 [0,1,0,0,0,0|3,0,0]=4 153 B11R1.157 CC(=O)NC1=NC=CC(Br)=C1 SY116307 [0,1,0,0,0,0|3,0,0]=4 154 B11R1.157 CC(=O)OC1=CC=CC(Cl)=C1 SY224191 [0,1,0,0,0,0|2,0,0]=3 155 B11R1.157 CC(=O)OC1=CC=CC(F)=C1 SY042571 [0,1,0,0,0,0|2,0,0]=3 156 B11R1.157 CC(O)CC1=NC=CC(Br)=C1 SY247891 [0,1,0,0,0,0|2,0,1]=4 157 B11R1.157 CC1=CC(CC(=O)O)=CC=C1 SY048780 [0,1,0,0,0,0|0,0,0]=1 158 B11R1.157 CC1=CC(OC(=O)Cl)=CC=C1 SY203736 [0,1,0,0,0,0|2,0,0]=3 159 B11R1.157 CC1=CC=CC(CC(=O)O)=N1 SY249639 [0,1,0,0,0,0|1,0,0]=2 160 B11R1.157 NC(=O)CC1=CC=CC(Br)=C1 SY274676 [0,1,0,0,0,0|1,0,0]=2 161 B11R1.157 NC(=S)NC1=CC=CC(Br)=C1 SY017108 [0,1,0,0,0,0|2,1,0]=4 162 B11R1.157 O=C(Cl)OC1=CC=CC(Br)=C1 SY296957 [0,1,0,0,0,0|2,0,0]=3 163 B11R1.157 O=C(Cl)OC1=CC=CC(Cl)=C1 SY293019 [0,1,0,0,0,0|2,0,0]=3 164 B11R1.157 O=C(Cl)OC1=CC=CC(F)=C1 SY293018 [0,1,0,0,0,0|2,0,0]=3 165 B11R1.157 O=C(O)CC1=CC=CC(Br)=C1 SY004367 [0,1,0,0,0,0|0,0,0]=1 166 B11R1.157 O=C(O)CC1=CC=CC(Cl)=C1 SY004837 [0,1,0,0,0,0|0,0,0]=1 167 B11R1.157 O=C(O)CC1=CC=CC(F)=C1 SY001712 [0,1,0,0,0,0|0,0,0]=1 168 B11R1.157 O=C(O)CC1=CC=CC(I)=C1 SY032267 [0,1,0,0,0,0|0,0,0]=1 169 B11R1.157 O=C(O)CC1=CC=CC(O)=C1 SY013505 [0,1,0,0,0,0|0,0,0]=1 170 B11R1.157 O=C(O)CC1=NC(Cl)=CC=C1 SY058123 [0,1,0,0,0,0|1,0,0]=2 171 B11R1.509 CC(C)(Cl)CC1=CC=CC=C1 SY096691 [0,1,0,0,0,0|2,0,1]=4 172 B11R1.509 CC(C)(O)CC1=CC=CC=C1 SY047029 [0,1,0,0,0,0|1,0,1]=3 173 B11R1.509 CS(=O)(=O)OC1=CC=CC=C1 SY050523 [0,1,0,0,0,0|2,0,1]=4 174 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 SY003488 [0,1,0,0,0,0|3,0,0]=4 175 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 SY011391 [0,1,0,0,0,0|3,0,0]=4 176 B11R1.509 F[B-](F)(F)CC1=CC=CC=C1 SY074951 [0,1,0,0,0,0|3,0,0]=4 177 B11R1.509 NS(=O)(=O)CC1=CC=CC=C1 SY048725 [0,1,0,0,0,0|1,0,1]=3 178 B11R1.509 NS(=O)(=O)CC1=CC=NC=C1 SY270854 [0,1,0,0,0,0|2,0,1]=4 179 B11R1.509 O=S(=O)(F)CC1=CC=CC=C1 SY038235 [0,1,0,0,0,0|1,0,1]=3 180 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 SY277942 [0,0,0,1,0,0|2,0,1]=4 181 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 SY037504 [0,0,0,1,0,0|2,0,1]=4 182 B11R2.10 BrC1=CC2=C(C=CC=C2)C1 SY004720 [0,0,0,1,0,0|2,0,0]=3 183 B11R2.10 BrC1=CC2=CC=CC=C2O1 SY101367 [0,0,0,1,0,0|1,0,1]=3 184 B11R2.10 BrC1=NC2=CC=CC=C2N1 SY050717 [0,0,0,1,0,0|3,0,0]=4 185 B11R2.10 BrC1=NC2=CC=CC=C2O1 SY192184 [0,0,0,1,0,0|2,0,0]=3 186 B11R2.10 BrC1CC2=C(C=CC=C2)C1 SY185759 [0,0,0,1,0,0|2,0,1]=4 187 B11R2.10 CC1=CC2=C(C=CC=C2)C1 SY037985 [0,0,0,1,0,0|2,0,0]=3 188 B11R2.10 CC1=CC2=CC=CC=C2O1 SY039830 [0,0,0,1,0,0|1,0,1]=3 189 B11R2.10 CC1=NC2=C(C=CN=C2)O1 SY130002 [0,0,0,1,0,0|3,0,0]=4 190 B11R2.10 CC1=NC2=CC=CC=C2N1 SY015991 [0,0,0,1,0,0|3,0,0]=4 191 B11R2.10 CC1=NC2=CC=CC=C2O1 SY048477 [0,0,0,1,0,0|2,0,0]=3 192 B11R2.10 CC1=NC2=CC=CC=C2S1 SY001190 [0,0,0,1,0,0|2,1,0]=4 193 B11R2.10 CC1=NC2=CC=CN=C2O1 SY018740 [0,0,0,1,0,0|3,0,0]=4 194 B11R2.10 CC1=NC2=NC=CC=C2O1 SY018743 [0,0,0,1,0,0|3,0,0]=4 195 B11R2.10 CC1CC2=C(C=CC=C2)N1 SY014921 [0,0,0,1,0,0|2,0,1]=4 196 B11R2.10 ClC1=CC2=C(C=CC=C2)N1 SY115626 [0,0,0,1,0,0|2,0,1]=4 197 B11R2.10 ClC1=CC2=CC=CC=C2O1 SY045676 [0,0,0,1,0,0|1,0,1]=3 198 B11R2.10 ClC1=NC2=C(C=CC=C2)N1 SY004072 [0,0,0,1,0,0|3,0,0]=4 199 B11R2.10 ClC1=NC2=C(C=CC=C2)O1 SY010741 [0,0,0,1,0,0|2,0,0]=3 200 B11R2.10 ClC1=NC2=C(C=NC=C2)O1 SY273675 [0,0,0,1,0,0|3,0,0]=4 201 B11R2.10 ClC1=NC2=CC=CN=C2O1 SY047505 [0,0,0,1,0,0|3,0,0]=4 202 B11R2.10 ClC1=NC2=NC=CC=C2O1 SY130040 [0,0,0,1,0,0|3,0,0]=4 203 B11R2.10 IC1=NC2=CC=CC=C2S1 SY040107 [0,0,0,1,0,0|2,1,0]=4 204 B11R2.10 NC1=NC2=C(C=CC=C2)O1 SY010713 [0,0,0,1,0,0|2,0,0]=3 205 B11R2.10 NC1=NC2=C(C=CN=C2)O1 SY114774 [0,0,0,1,0,0|3,0,0]=4 206 B11R2.10 NC1=NC2=CC=CC=C2N1 SY032901 [0,0,0,1,0,0|3,0,0]=4 207 B11R2.10 NC1=NC2=CC=CN=C2O1 SY130073 [0,0,0,1,0,0|3,0,0]=4 208 B11R2.10 NC1=NC2=NC=CC=C2O1 SY130061 [0,0,0,1,0,0|3,0,0]=4 209 B11R2.10 O=C1CC2=C(C=CC=C2)C1 SY001481 [0,0,0,1,0,0|1,0,0]=2 210 B11R2.10 O=C1CC2=C(C=CC=C2)O1 SY038967 [0,0,0,1,0,0|0,0,0]=1 211 B11R2.10 O=C1CC2=CC=CC=C2N1 SY004718 [0,0,0,1,0,0|1,0,0]=2 212 B11R2.10 O=C1CC2=CC=CN=C2N1 SY008090 [0,0,0,1,0,0|2,0,0]=3 213 B11R2.10 O=C1NC2=C(C=CC=C2)O1 SY007021 [0,0,0,1,0,0|1,0,0]=2 214 B11R2.10 O=C1NC2=C(C=CN=C2)O1 SY130167 [0,0,0,1,0,0|2,0,0]=3 215 B11R2.10 O=C1NC2=C(N=CC=C2)N1 SY007153 [0,0,0,1,0,0|3,0,0]=4 216 B11R2.10 O=C1NC2=CC=CN=C2O1 SY116296 [0,0,0,1,0,0|2,0,0]=3 217 B11R2.10 O=C1NC2=NC=CC=C2O1 SY007988 [0,0,0,1,0,0|2,0,0]=3 218 B11R2.10 OC1=NC2=CC=CC=C2N1 SY033248 [0,0,0,1,0,0|2,0,0]=3 219 B11R2.10 OC1=NC2=CC=CC=C2S1 SY003005 [0,0,0,1,0,0|1,1,0]=3 220 B11R2.10 OC1=NN2C=CC=CC2=C1 SY116654 [0,0,0,1,0,0|2,0,1]=4 221 B11R2.10 OC1CC2=C(C=CC=C2)C1 SY033139 [0,0,0,1,0,0|1,0,1]=3 222 B11R2.10 S=C1NC2=CC=CN=C2O1 SY130024 [0,0,0,1,0,0|2,1,0]=4 223 B11R2.10 S=C1NC2=NC=CC=C2O1 SY086794 [0,0,0,1,0,0|2,1,0]=4 224 B11R2.10 SC1=NC2=C(C=CN=C2)O1 SY233069 [0,0,0,1,0,0|2,1,0]=4 225 B11R2.10 SC1=NC2=CC=CC=C2O1 SY048415 [0,0,0,1,0,0|1,1,0]=3 226 B9R1.6 C1=CC=C(B(O)O)C=C1 SY257095 [0,0,0,0,1,0|1,0,1]=3 227 B9R1.6 C=C(Br)C1=CC=CC=C1 SY011143 [0,0,0,0,1,0|2,0,0]=3 228 B9R1.6 C=C(C)C1=NC=CC=C1 SY225338 [0,0,0,0,1,0|3,0,0]=4 229 B9R1.6 CC(=O)C1=CC=NC=C1 SY005519 [0,0,0,0,1,0|2,0,0]=3 230 B9R1.6 CC(=O)C1=CN=CC=N1 SY004986 [0,0,0,0,1,0|3,0,0]=4 231 B9R1.6 CC(=O)C1=CN=CN=C1 SY005489 [0,0,0,0,1,0|3,0,0]=4 232 B9R1.6 CC(=O)C1=NC=CC=N1 SY004966 [0,0,0,0,1,0|3,0,0]=4 233 B9R1.6 CC(O)C1=CC=CN=C1 SY006085 [0,0,0,0,1,0|2,0,1]=4 234 B9R1.6 CC(O)C1=CC=NC=C1 SY006084 [0,0,0,0,1,0|2,0,1]=4 235 B9R1.6 CC(O)C1=NC=CC=C1 SY004070 [0,0,0,0,1,0|2,0,1]=4 236 B9R1.6 C[C@@H](O)C1=CC=CC=C1 SY007833 [0,0,0,0,1,0|1,0,1]=3 237 B9R1.6 C[C@@H](O)C1=CN=CC=C1 SY008212 [0,0,0,0,1,0|2,0,1]=4 238 B9R1.6 C[C@@H](O)C1=NC=CC=C1 SY009224 [0,0,0,0,1,0|2,0,1]=4 239 B9R1.6 C[C@H](O)C1=CN=CC=C1 SY008211 [0,0,0,0,1,0|2,0,1]=4 240 B9R1.6 FC(F)C1=CC=CC=C1 SY024386 [0,0,0,0,1,0|2,0,1]=4 241 B9R1.6 N=C(N)C1=CC=CC=C1 SY018319 [0,0,0,0,1,0|2,0,0]=3 242 B9R1.6 N=C(N)C1=CC=CC=C1 SY035738 [0,0,0,0,1,0|2,0,0]=3 243 B9R1.6 N=C(N)C1=CC=NC=C1 SY018012 [0,0,0,0,1,0|3,0,0]=4 244 B9R1.6 N=C(N)C1=CN=CC=C1 SY007646 [0,0,0,0,1,0|3,0,0]=4 245 B9R1.6 N=C(N)C1=NC=CC=C1 SY018011 [0,0,0,0,1,0|3,0,0]=4 246 B9R1.6 NC(=O)C1=CC=CC=C1 SY047098 [0,0,0,0,1,0|1,0,0]=2 247 B9R1.6 NC(=O)C1=CC=NC=C1 SY018471 [0,0,0,0,1,0|2,0,0]=3 248 B9R1.6 NC(=O)C1=CN=CC=C1 SY024804 [0,0,0,0,1,0|2,0,0]=3 249 B9R1.6 NC(=O)C1=NC=CC=C1 SY048638 [0,0,0,0,1,0|2,0,0]=3 250 B9R1.6 NC(=O)C1=NC=CN=C1 SY013550 [0,0,0,0,1,0|3,0,0]=4 251 B9R1.6 NC(=O)C1=NN=CC=C1 SY244413 [0,0,0,0,1,0|3,0,0]=4 252 B9R1.6 NC(=S)C1=CC=CN=C1 SY026920 [0,0,0,0,1,0|2,1,0]=4 253 B9R1.6 NC(=S)C1=CC=NC=C1 SY026921 [0,0,0,0,1,0|2,1,0]=4 254 B9R1.6 NC(=S)C1=NC=CC=C1 SY032222 [0,0,0,0,1,0|2,1,0]=4 255 B9R1.6 O=C(O)C1=CC=CC=C1 SY009192 [0,0,0,0,1,0|0,0,0]=1 256 B9R1.6 O=C(O)C1=CC=CN=N1 SY013220 [0,0,0,0,1,0|2,0,0]=3 257 B9R1.6 O=C(O)C1=CC=NC=C1 SY002246 [0,0,0,0,1,0|1,0,0]=2 258 B9R1.6 O=C(O)C1=CC=NN=C1 SY004681 [0,0,0,0,1,0|2,0,0]=3 259 B9R1.6 O=C(O)C1=CN=CC=C1 SY011111 [0,0,0,0,1,0|1,0,0]=2 260 B9R1.6 O=C(O)C1=CN=CN=C1 SY004100 [0,0,0,0,1,0|2,0,0]=3 261 B9R1.6 O=C(O)C1=NC=CC=C1 SY001169 [0,0,0,0,1,0|1,0,0]=2 262 B9R1.6 O=C(O)C1=NC=CC=N1 SY004101 [0,0,0,0,1,0|2,0,0]=3 263 B9R1.6 O=C(O)C1=NC=CN=C1 SY001166 [0,0,0,0,1,0|2,0,0]=3 264 B9R1.6 O=C(O)C1=NC=NC=C1 SY005548 [0,0,0,0,1,0|2,0,0]=3 265 B9R1.6 O=C([O-])C1=CC=CC=C1 SY010134 [0,0,0,0,1,0|0,0,1]=2 266 B9R1.6 O=C([O-])C1=NC=CC=C1 SY037125 [0,0,0,0,1,0|1,0,1]=3 267 B9R1.6 O=S([O-])C1=CC=NC=C1 SY249777 [0,0,0,0,1,0|2,0,1]=4 268 B9R1.6 OB(O)C1=CC=CC=C1 SY001599 [0,0,0,0,1,0|1,0,1]=3 269 B9R1.6 OB(O)C1=CC=CN=C1 SY004445 [0,0,0,0,1,0|2,0,1]=4 270 B9R1.6 OB(O)C1=CC=NC=C1 SY004444 [0,0,0,0,1,0|2,0,1]=4 271 B9R1.13 CC(=O)NC1=CSC=C1 SY002880 [0,0,0,0,1,0|3,0,0]=4 272 B9R1.13 CC(O)CC1=CC=CO1 SY021784 [0,0,0,0,1,0|2,0,1]=4 273 B9R1.13 O=C(O)CC1=CC=CN1 SY010732 [0,0,0,0,1,0|1,0,0]=2 274 B9R1.13 O=C(O)CC1=CC=NN1 SY045525 [0,0,0,0,1,0|2,0,0]=3 275 B9R1.13 O=C(O)CC1=CC=NO1 SY226123 [0,0,0,0,1,0|2,0,0]=3 276 B9R1.13 O=C(O)CC1=CN=CO1 SY129690 [0,0,0,0,1,0|2,0,0]=3 277 B9R1.13 O=C(O)CC1=CNC=N1 SY009288 [0,0,0,0,1,0|2,0,0]=3 278 B9R1.13 O=C(O)CC1=CSC=C1 SY001354 [0,0,0,0,1,0|1,0,0]=2 279 B9R1.13 O=C(O)CC1=CSC=N1 SY008170 [0,0,0,0,1,0|2,0,0]=3 280 B9R1.13 O=C(O)CC1=CSC=N1 SY023095 [0,0,0,0,1,0|2,0,0]=3 281 B9R1.13 O=C(O)CC1=NC=CS1 SY025481 [0,0,0,0,1,0|2,0,0]=3 282 B9R1.13 O=C(O)CC1=NNC=C1 SY274439 [0,0,0,0,1,0|2,0,0]=3 283 B9R1.13 O=C(O)CN1C=CC=N1 SY022023 [0,0,0,0,1,0|2,0,0]=3 284 B9R1.13 O=C(O)CN1C=CN=C1 SY003214 [0,0,0,0,1,0|2,0,0]=3 285 B9R1.13 O=C(O)CN1C=CN=N1 SY058920 [0,0,0,0,1,0|3,0,0]=4 286 B9R1.13 O=C(O)CN1N=CC=N1 SY107445 [0,0,0,0,1,0|3,0,0]=4 287 B11R1.91 CC(=O)C#CC1=CC=CC=C1 SY051763 [0,0,0,0,0,1|1,0,1]=3 288 B11R1.91 CC(=O)CCC1=CC=CC=C1 SY013502 [0,0,0,0,0,1|1,0,0]=2 289 B11R1.91 CC(=O)COC1=NC=CC=C1 SY251719 [0,0,0,0,0,1|2,0,0]=3 290 B11R1.91 CC(C)NCC1=CC=CC=C1 SY032809 [0,0,0,0,0,1|2,0,1]=4 291 B11R1.91 N=C(N)COC1=CC=CC=C1 SY003970 [0,0,0,0,0,1|2,0,0]=3 292 B11R1.91 NC(=O)CCC1=CC=CN=C1 SY022419 [0,0,0,0,0,1|2,0,0]=3 293 B11R1.91 NC(=O)CCC1=CC=NC=C1 SY022418 [0,0,0,0,0,1|2,0,0]=3 294 B11R1.91 NC(=O)CCC1=NC=CC=C1 SY022420 [0,0,0,0,0,1|2,0,0]=3 295 B11R1.91 NC(=O)NCC1=CC=CC=C1 SY049437 [0,0,0,0,0,1|1,0,0]=2 296 B11R1.91 NC(=O)OCC1=CC=CC=C1 SY015067 [0,0,0,0,0,1|1,0,0]=2 297 B11R1.91 O=C(O)C#CC1=CC=CC=C1 SY023402 [0,0,0,0,0,1|0,0,1]=2 298 B11R1.91 O=C(O)C#CC1=CC=CN=C1 SY022409 [0,0,0,0,0,1|1,0,1]=3 299 B11R1.91 O=C(O)C#CC1=CC=NC=C1 SY022408 [0,0,0,0,0,1|1,0,1]=3 300 B11R1.91 O=C(O)C#CC1=NC=CC=C1 SY022410 [0,0,0,0,0,1|1,0,1]=3 301 B11R1.91 O=C(O)C=CC1=CC=NC=C1 SY036404 [0,0,0,0,0,1|1,0,1]=3 302 B11R1.91 O=C(O)CCC1=CC=CC=C1 SY001654 [0,0,0,0,0,1|0,0,0]=1 303 B11R1.91 O=C(O)CCC1=CC=NC=C1 SY022403 [0,0,0,0,0,1|1,0,0]=2 304 B11R1.91 O=C(O)CCC1=CN=CC=C1 SY017981 [0,0,0,0,0,1|1,0,0]=2 305 B11R1.91 O=C(O)CCC1=NC=CC=C1 SY013900 [0,0,0,0,0,1|1,0,0]=2 306 B11R1.91 O=C(O)COC1=CC=CN=C1 SY110065 [0,0,0,0,0,1|1,0,0]=2 307 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 SY009573 [0,0,0,0,0,1|1,0,1]=3 308 B11R1.91 O=C(O)\C=C\C1=NC=CC=C1 SY016110 [0,0,0,0,0,1|1,0,1]=3 309 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 SY043104 [0,0,0,0,0,1|1,0,1]=3 310 B11R1.91 O=[N+]([O-])\C=C\C1=CC=CC=C1 SY020168 [0,0,0,0,0,1|1,0,2]=4 311 B11R1.91 OB(O)CCC1=CC=CC=C1 SY014651 [0,0,0,0,0,1|1,0,1]=3 312 B11R1.91 OB(O)\C=C\C1=CC=CC=C1 SY012158 [0,0,0,0,0,1|1,0,2]=4 313 B8R1.2 BrCC1=CC=CN=C1 SY002302 [2,0,0,0,0,0|2,0,0]=4 314 B8R1.2 CC[N+]1=CC=CC=C1 SY073856 [2,0,0,0,0,0|1,0,1]=4 315 B8R1.2 ICC1=CC=CN=C1 SY027729 [2,0,0,0,0,0|2,0,0]=4 316 B8R1.2 N#CC1=CC=CC=C1 SY007899 [2,0,0,0,0,0|1,0,1]=4 317 B8R1.2 NCC1=CC=CC=C1 SY020429 [2,0,0,0,0,0|1,0,0]=3 318 B8R1.2 NOC1=CC=CC=C1 SY116626 [2,0,0,0,0,0|2,0,0]=4 319 B8R1.2 O=CC1=CC=NN=C1 SY039203 [2,0,0,0,0,0|2,0,0]=4 320 B8R1.2 O=CC1=CN=CN=C1 SY002007 [2,0,0,0,0,0|2,0,0]=4 321 B8R1.2 O=CC1=NC=CN=C1 SY023908 [2,0,0,0,0,0|2,0,0]=4 322 B8R1.2 O=CC1=NC=NC=C1 SY024569 [2,0,0,0,0,0|2,0,0]=4 323 B8R1.2 O=NC1=CC=CC=C1 SY031930 [2,0,0,0,0,0|1,0,0]=3 324 B8R1.2 OCC1=CC=CC=N1 SY005684 [2,0,0,0,0,0|1,0,0]=3 325 B8R1.2 OCC1=CC=CN=C1 SY001086 [2,0,0,0,0,0|1,0,0]=3 326 B8R1.2 OCC1=CC=CN=N1 SY013184 [2,0,0,0,0,0|2,0,0]=4 327 B8R1.2 OCC1=CC=NC=C1 SY003306 [2,0,0,0,0,0|1,0,0]=3 328 B8R1.2 OCC1=CC=NN=C1 SY111189 [2,0,0,0,0,0|2,0,0]=4 329 B8R1.2 OCC1=CN=CN=C1 SY016520 [2,0,0,0,0,0|2,0,0]=4 330 B8R1.2 OCC1=NC=CC=N1 SY009461 [2,0,0,0,0,0|2,0,0]=4 331 B8R1.2 OCC1=NC=CN=C1 SY004183 [2,0,0,0,0,0|2,0,0]=4 332 B8R1.2 OCC1=NC=NC=C1 SY037570 [2,0,0,0,0,0|2,0,0]=4 333 B8R1.2 [C-]#[N+]C1=CC=CC=C1 SY243548 [2,0,0,0,0,0|1,0,1]=4 334 B10R1.1 C=CCC1=CC=C(O)C=C1 SY045829 [1,1,0,0,0,0|1,0,0]=3 335 B10R1.1 CC1=CC=C(CCO)C=C1 SY036805 [1,1,0,0,0,0|0,0,1]=3 336 B10R1.1 CC1=CC=C(CNN)C=C1 SY048073 [1,1,0,0,0,0|2,0,0]=4 337 B10R1.1 CC1=CC=C(\C=N/O)C=C1 SY133551 [1,1,0,0,0,0|1,0,1]=4 338 B10R1.1 CCCC1=CC=C(Br)C=C1 SY016468 [1,1,0,0,0,0|1,0,1]=4 339 B10R1.1 CNCC1=CC=C(Br)C=C1 SY002627 [1,1,0,0,0,0|2,0,0]=4 340 B10R1.1 CNCC1=CC=C(Br)C=C1 SY006057 [1,1,0,0,0,0|2,0,0]=4 341 B10R1.1 CNCC1=CC=C(C)C=C1 SY004191 [1,1,0,0,0,0|2,0,0]=4 342 B10R1.1 CNCC1=CC=C(C)C=C1 SY016090 [1,1,0,0,0,0|2,0,0]=4 343 B10R1.1 CNCC1=CC=C(Cl)C=C1 SY002430 [1,1,0,0,0,0|2,0,0]=4 344 B10R1.1 CNCC1=CC=C(Cl)C=C1 SY002434 [1,1,0,0,0,0|2,0,0]=4 345 B10R1.1 CNCC1=CC=C(F)C=C1 SY002630 [1,1,0,0,0,0|2,0,0]=4 346 B10R1.1 CNCC1=CC=C(N)C=C1 SY003698 [1,1,0,0,0,0|2,0,0]=4 347 B10R1.1 CNCC1=CC=C(O)C=C1 SY018667 [1,1,0,0,0,0|2,0,0]=4 348 B10R1.1 COCC1=CC=C(N)C=C1 SY003771 [1,1,0,0,0,0|2,0,0]=4 349 B10R1.1 COCC1=CC=C(O)C=C1 SY026430 [1,1,0,0,0,0|2,0,0]=4 350 B10R1.1 C\C=C/C1=CC=C(N)C=C1 SY293239 [1,1,0,0,0,0|1,0,1]=4 351 B10R1.1 ClC1=CC=C(CCBr)C=C1 SY101293 [1,1,0,0,0,0|1,0,1]=4 352 B10R1.1 FC1=CC=C(CCBr)C=C1 SY004855 [1,1,0,0,0,0|1,0,1]=4 353 B10R1.1 N#CCC1=CC=C(I)C=C1 SY030019 [1,1,0,0,0,0|1,0,1]=4 354 B10R1.1 N#CCC1=CC=C(N)C=C1 SY015676 [1,1,0,0,0,0|1,0,1]=4 355 B10R1.1 NC1=CC=C(CCO)C=C1 SY030989 [1,1,0,0,0,0|0,0,1]=3 356 B10R1.1 NCCC1=CC=C(Br)C=C1 SY004635 [1,1,0,0,0,0|1,0,1]=4 357 B10R1.1 NCCC1=CC=C(Cl)C=C1 SY006689 [1,1,0,0,0,0|1,0,1]=4 358 B10R1.1 NCCC1=CC=C(F)C=C1 SY279169 [1,1,0,0,0,0|1,0,1]=4 359 B10R1.1 NCCC1=CC=C(N)C=C1 SY002473 [1,1,0,0,0,0|1,0,1]=4 360 B10R1.1 NCCC1=CC=C(O)C=C1 SY002127 [1,1,0,0,0,0|1,0,1]=4 361 B10R1.1 NCCC1=CC=C(O)C=C1 SY057039 [1,1,0,0,0,0|1,0,1]=4 362 B10R1.1 NNCC1=CC=C(Br)C=C1 SY048080 [1,1,0,0,0,0|2,0,0]=4 363 B10R1.1 NOCC1=CC=C(Br)C=C1 SY281555 [1,1,0,0,0,0|2,0,0]=4 364 B10R1.1 NOCC1=CC=C(Br)C=C1 SY281556 [1,1,0,0,0,0|2,0,0]=4 365 B10R1.1 NOCC1=CC=C(F)C=C1 SY246091 [1,1,0,0,0,0|2,0,0]=4 366 B10R1.1 NOCC1=CC=C(I)C=C1 SY281768 [1,1,0,0,0,0|2,0,0]=4 367 B10R1.1 NOCC1=CC=C(I)C=C1 SY281769 [1,1,0,0,0,0|2,0,0]=4 368 B10R1.1 O=CCC1=CC=C(Br)C=C1 SY110273 [1,1,0,0,0,0|0,0,0]=2 369 B10R1.1 O=CCC1=CC=C(Br)N=C1 SY253045 [1,1,0,0,0,0|1,0,0]=3 370 B10R1.1 OC1=CC=C(CCBr)C=C1 SY020164 [1,1,0,0,0,0|1,0,1]=4 371 B10R1.1 OCCC1=CC=C(Br)C=C1 SY002573 [1,1,0,0,0,0|0,0,1]=3 372 B10R1.1 OCCC1=CC=C(Br)N=C1 SY253046 [1,1,0,0,0,0|1,0,1]=4 373 B10R1.1 OCCC1=CC=C(Cl)C=C1 SY018274 [1,1,0,0,0,0|0,0,1]=3 374 B10R1.1 OCCC1=CC=C(Cl)N=C1 SY035951 [1,1,0,0,0,0|1,0,1]=4 375 B10R1.1 OCCC1=CC=C(F)C=C1 SY016325 [1,1,0,0,0,0|0,0,1]=3 376 B10R1.1 OCCC1=CC=C(F)N=C1 SY262258 [1,1,0,0,0,0|1,0,1]=4 377 B10R1.1 OCCC1=CC=C(I)C=C1 SY105110 [1,1,0,0,0,0|0,0,1]=3 378 B10R1.1 OCCC1=CC=C(O)C=C1 SY001653 [1,1,0,0,0,0|0,0,1]=3 379 B10R1.1 OCCC1=NC=C(Br)C=C1 SY234050 [1,1,0,0,0,0|1,0,1]=4 380 B10R1.1 ON=CC1=CC=C(F)C=C1 SY079938 [1,1,0,0,0,0|1,0,1]=4 381 B10R1.4 CC1=CC=CC=C1CCO SY036944 [1,1,0,0,0,0|0,0,1]=3 382 B10R1.4 CNCC1=C(Br)C=CC=C1 SY005450 [1,1,0,0,0,0|2,0,0]=4 383 B10R1.4 CNCC1=CC=CC=C1C SY021461 [1,1,0,0,0,0|2,0,0]=4 384 B10R1.4 CNCC1=CC=CC=C1Cl SY023323 [1,1,0,0,0,0|2,0,0]=4 385 B10R1.4 CNCC1=CC=CC=C1F SY005451 [1,1,0,0,0,0|2,0,0]=4 386 B10R1.4 COCC1=CC=CC=C1O SY026429 [1,1,0,0,0,0|2,0,0]=4 387 B10R1.4 ClC1=C(CCBr)C=CC=C1 SY004845 [1,1,0,0,0,0|1,0,1]=4 388 B10R1.4 FC1=CC=CC=C1CCCl SY035952 [1,1,0,0,0,0|1,0,1]=4 389 B10R1.4 N#CCC1=C(N)C=CC=C1 SY011031 [1,1,0,0,0,0|1,0,1]=4 390 B10R1.4 N#CCC1=CC=CC=C1I SY101179 [1,1,0,0,0,0|1,0,1]=4 391 B10R1.4 N#CCC1=CC=CC=C1O SY012295 [1,1,0,0,0,0|1,0,1]=4 392 B10R1.4 NCCC1=CC=CC=C1N SY104426 [1,1,0,0,0,0|1,0,1]=4 393 B10R1.4 NCCC1=CC=CC=C1O SY040467 [1,1,0,0,0,0|1,0,1]=4 394 B10R1.4 NNCC1=CC=CC=C1Br SY048078 [1,1,0,0,0,0|2,0,0]=4 395 B10R1.4 NNCC1=CC=CC=C1Cl SY040715 [1,1,0,0,0,0|2,0,0]=4 396 B10R1.4 NNCC1=CC=CC=C1F SY033589 [1,1,0,0,0,0|2,0,0]=4 397 B10R1.4 NOCC1=CC=CC=C1Br SY281558 [1,1,0,0,0,0|2,0,0]=4 398 B10R1.4 NOCC1=CC=CC=C1Br SY281559 [1,1,0,0,0,0|2,0,0]=4 399 B10R1.4 NOCC1=CC=CC=C1Cl SY281561 [1,1,0,0,0,0|2,0,0]=4 400 B10R1.4 NOCC1=CC=CC=C1F SY047853 [1,1,0,0,0,0|2,0,0]=4 401 B10R1.4 NOCC1=CC=CC=C1F SY281571 [1,1,0,0,0,0|2,0,0]=4 402 B10R1.4 NOCC1=CC=CC=C1I SY281752 [1,1,0,0,0,0|2,0,0]=4 403 B10R1.4 O=C=NC1=CC=CC=C1Br SY021825 [1,1,0,0,0,0|1,0,1]=4 404 B10R1.4 OCCC1=C(Br)C=CC=C1 SY011299 [1,1,0,0,0,0|0,0,1]=3 405 B10R1.4 OCCC1=C(Cl)C=CC=C1 SY005018 [1,1,0,0,0,0|0,0,1]=3 406 B10R1.4 OCCC1=CC=CC=C1F SY021828 [1,1,0,0,0,0|0,0,1]=3 407 B10R1.4 OCCC1=CC=CC=C1I SY096684 [1,1,0,0,0,0|0,0,1]=3 408 B10R1.4 OCCC1=CC=CC=C1O SY066615 [1,1,0,0,0,0|0,0,1]=3 409 B10R1.4 O\N=C\C1=CC=CC=C1F SY021949 [1,1,0,0,0,0|1,0,1]=4 410 B10R1.10 C=CCC1=CC(O)=CC=C1 SY029063 [1,1,0,0,0,0|1,0,0]=3 411 B10R1.10 CC1=CC(CC#N)=CC=C1 SY046497 [1,1,0,0,0,0|1,0,1]=4 412 B10R1.10 CC1=CC(CCO)=CC=C1 SY051329 [1,1,0,0,0,0|0,0,1]=3 413 B10R1.10 CC1=CC(CON)=CC=C1 SY281673 [1,1,0,0,0,0|2,0,0]=4 414 B10R1.10 CC1=CC(CON)=CC=C1 SY281674 [1,1,0,0,0,0|2,0,0]=4 415 B10R1.10 CC1=CC=CC(CCO)=N1 SY162922 [1,1,0,0,0,0|1,0,1]=4 416 B10R1.10 CNCC1=CC=CC(Br)=C1 SY002048 [1,1,0,0,0,0|2,0,0]=4 417 B10R1.10 CNCC1=CC=CC(Br)=C1 SY002435 [1,1,0,0,0,0|2,0,0]=4 418 B10R1.10 CNCC1=CC=CC(Cl)=C1 SY104087 [1,1,0,0,0,0|2,0,0]=4 419 B10R1.10 CNCC1=CC=CC(F)=C1 SY002641 [1,1,0,0,0,0|2,0,0]=4 420 B10R1.10 CNCC1=CC=CC(O)=C1 SY018671 [1,1,0,0,0,0|2,0,0]=4 421 B10R1.10 COCC1=CC=CC(N)=C1 SY003772 [1,1,0,0,0,0|2,0,0]=4 422 B10R1.10 ClC1=CC=CC(CCBr)=C1 SY004844 [1,1,0,0,0,0|1,0,1]=4 423 B10R1.10 FC1=CC(CCBr)=CC=C1 SY035660 [1,1,0,0,0,0|1,0,1]=4 424 B10R1.10 NC1=CC(CCO)=CC=C1 SY076026 [1,1,0,0,0,0|0,0,1]=3 425 B10R1.10 NC1=CC=NC(CCO)=C1 SY026069 [1,1,0,0,0,0|1,0,1]=4 426 B10R1.10 NCCC1=CC=CC(Cl)=C1 SY011429 [1,1,0,0,0,0|1,0,1]=4 427 B10R1.10 NCCC1=CC=CC(O)=C1 SY005806 [1,1,0,0,0,0|1,0,1]=4 428 B10R1.10 NNCC1=CC=CC(Br)=C1 SY048079 [1,1,0,0,0,0|2,0,0]=4 429 B10R1.10 NNCC1=CC=CC(Cl)=C1 SY040680 [1,1,0,0,0,0|2,0,0]=4 430 B10R1.10 NNCC1=CC=CC(F)=C1 SY048077 [1,1,0,0,0,0|2,0,0]=4 431 B10R1.10 NOCC1=CC=CC(Br)=C1 SY281696 [1,1,0,0,0,0|2,0,0]=4 432 B10R1.10 NOCC1=CC=CC(Br)=C1 SY281697 [1,1,0,0,0,0|2,0,0]=4 433 B10R1.10 NOCC1=CC=CC(F)=C1 SY281567 [1,1,0,0,0,0|2,0,0]=4 434 B10R1.10 NOCC1=CC=CC(I)=C1 SY281770 [1,1,0,0,0,0|2,0,0]=4 435 B10R1.10 NOCC1=CC=CC(I)=C1 SY281771 [1,1,0,0,0,0|2,0,0]=4 436 B10R1.10 O=CCC1=CC=CC(Br)=C1 SY239726 [1,1,0,0,0,0|0,0,0]=2 437 B10R1.10 OCCC1=CC(Br)=CC=C1 SY006105 [1,1,0,0,0,0|0,0,1]=3 438 B10R1.10 OCCC1=CC(Cl)=CC=C1 SY005019 [1,1,0,0,0,0|0,0,1]=3 439 B10R1.10 OCCC1=CC(F)=CC=C1 SY015136 [1,1,0,0,0,0|0,0,1]=3 440 B10R1.10 OCCC1=CC=CC(Br)=N1 SY037350 [1,1,0,0,0,0|1,0,1]=4 441 B10R1.10 OCCC1=CC=CC(O)=C1 SY011808 [1,1,0,0,0,0|0,0,1]=3 442 B10R1.10 OCCC1=NC=CC(Br)=C1 SY037353 [1,1,0,0,0,0|1,0,1]=4 443 B10R1.15 C#CC(O)C1=CC=CC=C1 SY008627 [1,1,0,0,0,0|1,0,1]=4 444 B10R1.15 C#C[C@@H](O)C1=CC=CC=C1 SY008626 [1,1,0,0,0,0|1,0,1]=4 445 B10R1.15 C#C[C@H](O)C1=CC=CC=C1 SY008625 [1,1,0,0,0,0|1,0,1]=4 446 B10R1.15 CC(C=O)C1=CC=CC=C1 SY049214 [1,1,0,0,0,0|0,0,0]=2 447 B10R1.15 CCC(O)C1=CC=CC=C1 SY020321 [1,1,0,0,0,0|1,0,1]=4 448 B10R1.15 CN(N=O)C1=CC=CC=C1 SY052228 [1,1,0,0,0,0|2,0,0]=4 449 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 SY017826 [1,1,0,0,0,0|1,0,1]=4 450 B10R1.15 C[C@H](C=O)C1=CC=CC=C1 SY036236 [1,1,0,0,0,0|0,0,0]=2 451 B10R1.15 C[C@H](CO)C1=CC=CC=C1 SY036226 [1,1,0,0,0,0|0,0,1]=3 452 B10R1.15 C\C(=N\O)C1=CC=CC=C1 SY057978 [1,1,0,0,0,0|1,0,1]=4 453 B10R1.15 NC(=NO)C1=CC=CC=C1 SY057185 [1,1,0,0,0,0|1,0,1]=4 454 B10R1.15 NC(CF)C1=CC=CC=C1 SY045869 [1,1,0,0,0,0|1,0,1]=4 455 B10R1.15 NC(CO)C1=CC=CC=C1 SY002083 [1,1,0,0,0,0|0,0,1]=3 456 B10R1.15 NC(CO)C1=CC=CC=N1 SY007452 [1,1,0,0,0,0|1,0,1]=4 457 B10R1.15 NC(CO)C1=CC=NC=C1 SY007453 [1,1,0,0,0,0|1,0,1]=4 458 B10R1.15 NCC(O)C1=CC=CC=C1 SY042533 [1,1,0,0,0,0|1,0,1]=4 459 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 SY013940 [1,1,0,0,0,0|1,0,1]=4 460 B10R1.15 NC[C@H](O)C1=CC=CC=C1 SY009089 [1,1,0,0,0,0|1,0,1]=4 461 B10R1.15 N[C@@H](CF)C1=CC=CC=C1 SY045870 [1,1,0,0,0,0|1,0,1]=4 462 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 SY003526 [1,1,0,0,0,0|0,0,1]=3 463 B10R1.15 N[C@H](CF)C1=CC=CC=C1 SY045868 [1,1,0,0,0,0|1,0,1]=4 464 B10R1.15 N[C@H](CO)C1=CC=CC=C1 SY001952 [1,1,0,0,0,0|0,0,1]=3 465 B10R1.15 O=C(CO)C1=CC=CC=C1 SY014756 [1,1,0,0,0,0|0,0,2]=4 466 B10R1.15 O=CC(=O)C1=CC=CC=C1 SY047494 [1,1,0,0,0,0|0,0,1]=3 467 B10R1.15 O=CC(Br)C1=CC=CC=C1 SY277929 [1,1,0,0,0,0|0,0,0]=2 468 B10R1.15 OC[C@@H](O)C1=CC=CC=C1 SY017542 [1,1,0,0,0,0|0,0,1]=3 469 B10R1.15 OC[C@H](O)C1=CC=CC=C1 SY017543 [1,1,0,0,0,0|0,0,1]=3 470 B10R1.15 O[C@@H](CCl)C1=CC=CC=C1 SY101214 [1,1,0,0,0,0|1,0,1]=4 471 B10R1.17 BrCCCC1=CC=CC=C1 SY046253 [1,1,0,0,0,0|1,0,1]=4 472 B10R1.17 C#CCNC1=CC=CC=C1 SY299987 [1,1,0,0,0,0|1,0,1]=4 473 B10R1.17 C#CCOC1=CC=CC=C1 SY048247 [1,1,0,0,0,0|1,0,1]=4 474 B10R1.17 C1=CC=CC=C1CCC#N SY246292 [1,1,0,0,0,0|1,0,1]=4 475 B10R1.17 C=COCC1=CC=CC=C1 SY097145 [1,1,0,0,0,0|1,0,0]=3 476 B10R1.17 CNCCC1=CC=CC=C1 SY002512 [1,1,0,0,0,0|1,0,1]=4 477 B10R1.17 ClCCCC1=CC=CC=C1 SY048978 [1,1,0,0,0,0|1,0,1]=4 478 B10R1.17 ClCCOC1=CC=CC=C1 SY033599 [1,1,0,0,0,0|1,0,1]=4 479 B10R1.17 ClCOCC1=CC=CC=C1 SY003069 [1,1,0,0,0,0|1,0,1]=4 480 B10R1.17 ICCCC1=CC=CC=C1 SY249461 [1,1,0,0,0,0|1,0,1]=4 481 B10R1.17 N#CCOC1=CC=CC=C1 SY005439 [1,1,0,0,0,0|1,0,1]=4 482 B10R1.17 N#C\C=C\C1=CC=CC=C1 SY014969 [1,1,0,0,0,0|1,0,1]=4 483 B10R1.17 NCCCC1=CC=CC=C1 SY049659 [1,1,0,0,0,0|1,0,1]=4 484 B10R1.17 NCCNC1=CC=CC=C1 SY009366 [1,1,0,0,0,0|1,0,1]=4 485 B10R1.17 NCCOC1=CC=CC=C1 SY004523 [1,1,0,0,0,0|1,0,1]=4 486 B10R1.17 NC\C=C\C1=CC=CC=C1 SY123671 [1,1,0,0,0,0|1,0,1]=4 487 B10R1.17 NNCCC1=CC=CC=C1 SY048081 [1,1,0,0,0,0|1,0,1]=4 488 B10R1.17 NOCCC1=CC=CC=C1 SY114401 [1,1,0,0,0,0|0,0,1]=3 489 B10R1.17 NOCCC1=CC=CC=C1 SY281546 [1,1,0,0,0,0|0,0,1]=3 490 B10R1.17 O=CC#CC1=CC=CC=C1 SY015622 [1,1,0,0,0,0|0,0,1]=3 491 B10R1.17 O=CNCC1=NC=CC=C1 SY236692 [1,1,0,0,0,0|1,0,0]=3 492 B10R1.17 OCC#CC1=CC=CC=C1 SY010793 [1,1,0,0,0,0|0,0,2]=4 493 B10R1.17 OCCCC1=CC=CC=C1 SY003672 [1,1,0,0,0,0|0,0,1]=3 494 B10R1.17 OCCCC1=CC=CN=C1 SY129435 [1,1,0,0,0,0|1,0,1]=4 495 B10R1.17 OCCCC1=CC=NC=C1 SY003677 [1,1,0,0,0,0|1,0,1]=4 496 B10R1.17 OCCCC1=NC=CC=C1 SY023125 [1,1,0,0,0,0|1,0,1]=4 497 B10R1.17 OC\C=C/C1=CC=CC=C1 SY129813 [1,1,0,0,0,0|0,0,1]=3 498 B10R1.17 OC\C=C\C1=CC=CN=C1 SY022168 [1,1,0,0,0,0|1,0,1]=4 499 B10R1.17 OC\C=C\C1=CC=NC=C1 SY022167 [1,1,0,0,0,0|1,0,1]=4 500 B10R1.17 OC\C=C\C1=NC=CC=C1 SY022169 [1,1,0,0,0,0|1,0,1]=4 501 B10R1.13 C=C(C)C1=CC=C(Br)C=C1 SY225322 [0,1,0,0,1,0|2,0,0]=4 502 B10R1.13 C=C(C)C1=CC=C(Cl)C=C1 SY048599 [0,1,0,0,1,0|2,0,0]=4 503 B10R1.13 C=C(C)C1=CC=C(F)C=C1 SY048549 [0,1,0,0,1,0|2,0,0]=4 504 B10R1.13 C=C(C)C1=CC=C(I)C=C1 SY225345 [0,1,0,0,1,0|2,0,0]=4 505 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 SY001458 [0,1,0,0,1,0|1,0,0]=3 506 B10R1.13 CC(=O)C1=CC=C(Br)N=C1 SY007796 [0,1,0,0,1,0|2,0,0]=4 507 B10R1.13 CC(=O)C1=CC=C(C)C=N1 SY005233 [0,1,0,0,1,0|2,0,0]=4 508 B10R1.13 CC(=O)C1=CC=C(C)N=C1 SY063969 [0,1,0,0,1,0|2,0,0]=4 509 B10R1.13 CC(=O)C1=CC=C(Cl)N=C1 SY017267 [0,1,0,0,1,0|2,0,0]=4 510 B10R1.13 CC(=O)C1=CC=C(F)N=C1 SY022263 [0,1,0,0,1,0|2,0,0]=4 511 B10R1.13 CC(=O)C1=CC=C(I)C=C1 SY011859 [0,1,0,0,1,0|1,0,0]=3 512 B10R1.13 CC(=O)C1=CC=C(N)C=C1 SY011145 [0,1,0,0,1,0|1,0,0]=3 513 B10R1.13 CC(=O)C1=CC=C(O)C=C1 SY009665 [0,1,0,0,1,0|1,0,0]=3 514 B10R1.13 CC(=O)C1=CC=C(O)N=C1 SY022345 [0,1,0,0,1,0|2,0,0]=4 515 B10R1.13 CC(=O)C1=NC=C(Br)C=C1 SY028282 [0,1,0,0,1,0|2,0,0]=4 516 B10R1.13 CC(=O)C1=NC=C(Cl)C=C1 SY022264 [0,1,0,0,1,0|2,0,0]=4 517 B10R1.13 CC(O)C1=CC=C(Br)C=C1 SY005047 [0,1,0,0,1,0|1,0,1]=4 518 B10R1.13 CC(O)C1=CC=C(Cl)C=C1 SY005059 [0,1,0,0,1,0|1,0,1]=4 519 B10R1.13 CC(O)C1=CC=C(F)C=C1 SY005049 [0,1,0,0,1,0|1,0,1]=4 520 B10R1.13 CC1=CC=C(B(O)O)C=C1 SY002147 [0,1,0,0,1,0|1,0,1]=4 521 B10R1.13 CC1=CC=C(C(=O)O)C=C1 SY003713 [0,1,0,0,1,0|0,0,0]=2 522 B10R1.13 CC1=CC=C(C(C)O)C=C1 SY005050 [0,1,0,0,1,0|1,0,1]=4 523 B10R1.13 CC1=CC=C(C(N)=O)C=N1 SY023122 [0,1,0,0,1,0|2,0,0]=4 524 B10R1.13 CC1=CC=C(S(=O)O)C=C1 SY113268 [0,1,0,0,1,0|1,0,0]=3 525 B10R1.13 CC1=CC=C(S(=O)[O-])C=C1 SY013741 [0,1,0,0,1,0|1,0,1]=4 526 B10R1.13 CC1=CC=C(S(N)=O)C=C1 SY261118 [0,1,0,0,1,0|2,0,0]=4 527 B10R1.13 CC1=CC=C([S@@](N)=O)C=C1 SY114833 [0,1,0,0,1,0|2,0,0]=4 528 B10R1.13 CC1=CN=C(C(=O)O)C=N1 SY003142 [0,1,0,0,1,0|2,0,0]=4 529 B10R1.13 CC1=NC=C(C(=O)O)C=C1 SY001939 [0,1,0,0,1,0|1,0,0]=3 530 B10R1.13 CC1=NC=C(C(=O)O)C=N1 SY007653 [0,1,0,0,1,0|2,0,0]=4 531 B10R1.13 CC1=NN=C(C(=O)O)C=C1 SY007131 [0,1,0,0,1,0|2,0,0]=4 532 B10R1.13 CS(=O)C1=CC=C(Br)C=C1 SY253160 [0,1,0,0,1,0|2,0,0]=4 533 B10R1.13 C[C@@H](O)C1=CC=C(Br)C=C1 SY024772 [0,1,0,0,1,0|1,0,1]=4 534 B10R1.13 C[C@@H](O)C1=CC=C(Cl)C=C1 SY116631 [0,1,0,0,1,0|1,0,1]=4 535 B10R1.13 C[C@@H](O)C1=CC=C(F)C=C1 SY009324 [0,1,0,0,1,0|1,0,1]=4 536 B10R1.13 C[C@H](O)C1=CC=C(Br)C=C1 SY024771 [0,1,0,0,1,0|1,0,1]=4 537 B10R1.13 C[C@H](O)C1=CC=C(F)C=C1 SY009323 [0,1,0,0,1,0|1,0,1]=4 538 B10R1.13 N=C(N)C1=CC=C(Br)C=C1 SY014927 [0,1,0,0,1,0|2,0,0]=4 539 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 SY014928 [0,1,0,0,1,0|2,0,0]=4 540 B10R1.13 N=C(N)C1=CC=C(F)C=C1 SY032215 [0,1,0,0,1,0|2,0,0]=4 541 B10R1.13 N=C(N)C1=CC=C(N)C=C1 SY017964 [0,1,0,0,1,0|2,0,0]=4 542 B10R1.13 N=C(N)C1=CC=C(O)C=C1 SY018812 [0,1,0,0,1,0|2,0,0]=4 543 B10R1.13 NC(=O)C1=CC=C(Br)C=C1 SY020099 [0,1,0,0,1,0|1,0,0]=3 544 B10R1.13 NC(=O)C1=CC=C(Cl)C=C1 SY048513 [0,1,0,0,1,0|1,0,0]=3 545 B10R1.13 NC(=O)C1=CC=C(F)C=C1 SY013152 [0,1,0,0,1,0|1,0,0]=3 546 B10R1.13 NC(=O)C1=CC=C(N)C=C1 SY004554 [0,1,0,0,1,0|1,0,0]=3 547 B10R1.13 NC(=O)C1=CN=C(Br)C=C1 SY047606 [0,1,0,0,1,0|2,0,0]=4 548 B10R1.13 NC(=O)C1=CN=C(Cl)C=C1 SY004157 [0,1,0,0,1,0|2,0,0]=4 549 B10R1.13 NC(=O)C1=CN=C(N)C=C1 SY038238 [0,1,0,0,1,0|2,0,0]=4 550 B10R1.13 NC(=O)C1=NC=C(Br)C=C1 SY064801 [0,1,0,0,1,0|2,0,0]=4 551 B10R1.13 NC(=O)C1=NC=C(Cl)C=C1 SY075316 [0,1,0,0,1,0|2,0,0]=4 552 B10R1.13 NC(=S)C1=CC=C(O)C=C1 SY030992 [0,1,0,0,1,0|1,1,0]=4 553 B10R1.13 NC1=CC=C(B(O)O)C=C1 SY017592 [0,1,0,0,1,0|1,0,1]=4 554 B10R1.13 NC1=CC=C(C(=O)O)C=C1 SY003749 [0,1,0,0,1,0|0,0,0]=2 555 B10R1.13 NC1=CN=C(C(=O)O)C=C1 SY004398 [0,1,0,0,1,0|1,0,0]=3 556 B10R1.13 NC1=CN=C(C(=O)O)C=N1 SY002809 [0,1,0,0,1,0|2,0,0]=4 557 B10R1.13 NC1=NC=C(C(=O)O)C=C1 SY004091 [0,1,0,0,1,0|1,0,0]=3 558 B10R1.13 NC1=NC=C(C(=O)O)C=N1 SY013230 [0,1,0,0,1,0|2,0,0]=4 559 B10R1.13 NC1=NN=C(C(=O)O)C=C1 SY003537 [0,1,0,0,1,0|2,0,0]=4 560 B10R1.13 O=C(O)C1=CC=C(Br)C=C1 SY001067 [0,1,0,0,1,0|0,0,0]=2 561 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 SY002326 [0,1,0,0,1,0|0,0,0]=2 562 B10R1.13 O=C(O)C1=CC=C(F)C=C1 SY001592 [0,1,0,0,1,0|0,0,0]=2 563 B10R1.13 O=C(O)C1=CC=C(I)C=C1 SY001356 [0,1,0,0,1,0|0,0,0]=2 564 B10R1.13 O=C(O)C1=CC=[N+]([O-])C=C1 SY112139 [0,1,0,0,1,0|1,0,0]=3 565 B10R1.13 O=C(O)C1=CN=C(Br)C=C1 SY002819 [0,1,0,0,1,0|1,0,0]=3 566 B10R1.13 O=C(O)C1=CN=C(Cl)C=C1 SY001709 [0,1,0,0,1,0|1,0,0]=3 567 B10R1.13 O=C(O)C1=CN=C(Cl)C=N1 SY018611 [0,1,0,0,1,0|2,0,0]=4 568 B10R1.13 O=C(O)C1=CN=C(Cl)N=C1 SY019434 [0,1,0,0,1,0|2,0,0]=4 569 B10R1.13 O=C(O)C1=CN=C(F)C=C1 SY004391 [0,1,0,0,1,0|1,0,0]=3 570 B10R1.13 O=C(O)C1=CN=C(I)C=C1 SY310699 [0,1,0,0,1,0|1,0,0]=3 571 B10R1.13 O=C(O)C1=CN=C(O)C=C1 SY004348 [0,1,0,0,1,0|1,0,0]=3 572 B10R1.13 O=C(O)C1=NC=C(Br)C=C1 SY002993 [0,1,0,0,1,0|1,0,0]=3 573 B10R1.13 O=C(O)C1=NC=C(Br)C=N1 SY003477 [0,1,0,0,1,0|2,0,0]=4 574 B10R1.13 O=C(O)C1=NC=C(Br)N=C1 SY018532 [0,1,0,0,1,0|2,0,0]=4 575 B10R1.13 O=C(O)C1=NC=C(Cl)C=C1 SY007343 [0,1,0,0,1,0|1,0,0]=3 576 B10R1.13 O=C(O)C1=NC=C(Cl)C=N1 SY029327 [0,1,0,0,1,0|2,0,0]=4 577 B10R1.13 O=C(O)C1=NC=C(F)C=C1 SY008116 [0,1,0,0,1,0|1,0,0]=3 578 B10R1.13 O=C(O)C1=NC=C(F)N=C1 SY242638 [0,1,0,0,1,0|2,0,0]=4 579 B10R1.13 O=C(O)C1=NC=C(O)C=C1 SY013072 [0,1,0,0,1,0|1,0,0]=3 580 B10R1.13 O=C(O)C1=NC=C(O)C=C1 SY026499 [0,1,0,0,1,0|1,0,0]=3 581 B10R1.13 O=C(O)C1=NN=C(Br)C=C1 SY181701 [0,1,0,0,1,0|2,0,0]=4 582 B10R1.13 O=C(O)C1=NN=C(Cl)C=C1 SY003010 [0,1,0,0,1,0|2,0,0]=4 583 B10R1.13 O=C(O)C1=NN=C(O)C=C1 SY006732 [0,1,0,0,1,0|2,0,0]=4 584 B10R1.13 O=C(O)C1=NN=C(O)C=C1 SY007138 [0,1,0,0,1,0|2,0,0]=4 585 B10R1.13 O=S([O-])C1=CC=C(F)C=C1 SY037436 [0,1,0,0,1,0|1,0,1]=4 586 B10R1.13 OB(O)C1=CC=C(Br)C=C1 SY013412 [0,1,0,0,1,0|1,0,1]=4 587 B10R1.13 OB(O)C1=CC=C(Cl)C=C1 SY004529 [0,1,0,0,1,0|1,0,1]=4 588 B10R1.13 OB(O)C1=CC=C(F)C=C1 SY004349 [0,1,0,0,1,0|1,0,1]=4 589 B10R1.13 OB(O)C1=CC=C(I)C=C1 SY022131 [0,1,0,0,1,0|1,0,1]=4 590 B10R1.13 OB(O)C1=CC=C(O)C=C1 SY002870 [0,1,0,0,1,0|1,0,1]=4 591 B10R1.28 C1=CC=C(S(C)(=O)=O)C=C1 SY246294 [0,1,0,0,1,0|1,0,1]=4 592 B10R1.28 CC(C)(O)C1=CC=CC=C1 SY021550 [0,1,0,0,1,0|1,0,1]=4 593 B10R1.28 CS(=O)(=O)C1=CC=CC=C1 SY018221 [0,1,0,0,1,0|1,0,1]=4 594 B10R1.28 O=S(=O)(O)C1=CC=CC=C1 SY301325 [0,1,0,0,1,0|1,0,0]=3 595 B10R1.61 C=C(C)C1=CC=CC=C1F SY154483 [0,1,0,0,1,0|2,0,0]=4 596 B10R1.61 CC(=O)C1=C(Br)C=NC=C1 SY029921 [0,1,0,0,1,0|2,0,0]=4 597 B10R1.61 CC(=O)C1=C(C)C=CC=N1 SY005230 [0,1,0,0,1,0|2,0,0]=4 598 B10R1.61 CC(=O)C1=C(F)C=NC=C1 SY011662 [0,1,0,0,1,0|2,0,0]=4 599 B10R1.61 CC(=O)C1=C(I)C=CC=C1 SY010667 [0,1,0,0,1,0|1,0,0]=3 600 B10R1.61 CC(=O)C1=CC=CC=C1Br SY002108 [0,1,0,0,1,0|1,0,0]=3 601 B10R1.61 CC(=O)C1=CC=CC=C1C SY002283 [0,1,0,0,1,0|1,0,0]=3 602 B10R1.61 CC(=O)C1=CC=CC=C1N SY001368 [0,1,0,0,1,0|1,0,0]=3 603 B10R1.61 CC(=O)C1=CC=CN=C1C SY108212 [0,1,0,0,1,0|2,0,0]=4 604 B10R1.61 CC(=O)C1=CC=CN=C1Cl SY007174 [0,1,0,0,1,0|2,0,0]=4 605 B10R1.61 CC(=O)C1=CC=CN=C1F SY064682 [0,1,0,0,1,0|2,0,0]=4 606 B10R1.61 CC(=O)C1=CC=CN=C1N SY040774 [0,1,0,0,1,0|2,0,0]=4 607 B10R1.61 CC(=O)C1=NC=CC=C1Br SY029920 [0,1,0,0,1,0|2,0,0]=4 608 B10R1.61 CC(=O)C1=NC=CC=C1F SY022346 [0,1,0,0,1,0|2,0,0]=4 609 B10R1.61 CC(=O)C1=NC=CC=C1N SY240339 [0,1,0,0,1,0|2,0,0]=4 610 B10R1.61 CC(O)C1=C(Br)C=CC=C1 SY005052 [0,1,0,0,1,0|1,0,1]=4 611 B10R1.61 CC(O)C1=C(Cl)C=CC=C1 SY005057 [0,1,0,0,1,0|1,0,1]=4 612 B10R1.61 CC(O)C1=C(F)C=CC=C1 SY005055 [0,1,0,0,1,0|1,0,1]=4 613 B10R1.61 CC(O)C1=C(N)C=CC=C1 SY005046 [0,1,0,0,1,0|1,0,1]=4 614 B10R1.61 CC1=C(C(=N)N)C=CC=C1 SY003976 [0,1,0,0,1,0|2,0,0]=4 615 B10R1.61 CC1=C(C(=O)O)C=CC=C1 SY008811 [0,1,0,0,1,0|0,0,0]=2 616 B10R1.61 CC1=C(C(=O)O)C=CN=C1 SY013083 [0,1,0,0,1,0|1,0,0]=3 617 B10R1.61 CC1=C(C(=O)O)C=NC=C1 SY003372 [0,1,0,0,1,0|1,0,0]=3 618 B10R1.61 CC1=C(C(C)O)C=CC=C1 SY005056 [0,1,0,0,1,0|1,0,1]=4 619 B10R1.61 CC1=CC=CC=C1B(O)O SY002865 [0,1,0,0,1,0|1,0,1]=4 620 B10R1.61 CC1=CC=CN=C1C(=O)O SY005196 [0,1,0,0,1,0|1,0,0]=3 621 B10R1.61 CC1=CN=CN=C1C(=O)O SY114951 [0,1,0,0,1,0|2,0,0]=4 622 B10R1.61 CC1=NC=CC=C1C(=O)O SY007014 [0,1,0,0,1,0|1,0,0]=3 623 B10R1.61 CC1=NC=CN=C1C(=O)O SY006147 [0,1,0,0,1,0|2,0,0]=4 624 B10R1.61 CC1=NC=NC=C1C(=O)O SY006146 [0,1,0,0,1,0|2,0,0]=4 625 B10R1.61 CC1=NN=CC=C1C(=O)O SY145367 [0,1,0,0,1,0|2,0,0]=4 626 B10R1.61 C[C@@H](O)C1=CC=CC=C1Br SY024770 [0,1,0,0,1,0|1,0,1]=4 627 B10R1.61 C[C@@H](O)C1=CC=CC=C1Cl SY024788 [0,1,0,0,1,0|1,0,1]=4 628 B10R1.61 C[C@@H](O)C1=CC=CC=C1F SY040023 [0,1,0,0,1,0|1,0,1]=4 629 B10R1.61 C[C@H](O)C1=CC=CC=C1Cl SY024787 [0,1,0,0,1,0|1,0,1]=4 630 B10R1.61 N=C(N)C1=CC=CC=C1Br SY028769 [0,1,0,0,1,0|2,0,0]=4 631 B10R1.61 N=C(N)C1=CC=CC=C1Cl SY003975 [0,1,0,0,1,0|2,0,0]=4 632 B10R1.61 N=C(N)C1=CC=CC=C1F SY109705 [0,1,0,0,1,0|2,0,0]=4 633 B10R1.61 NC(=O)C1=C(Br)C=NC=C1 SY013017 [0,1,0,0,1,0|2,0,0]=4 634 B10R1.61 NC(=O)C1=C(Cl)N=CC=C1 SY006428 [0,1,0,0,1,0|2,0,0]=4 635 B10R1.61 NC(=O)C1=C(I)C=CC=C1 SY013782 [0,1,0,0,1,0|1,0,0]=3 636 B10R1.61 NC(=O)C1=C(N)N=CC=C1 SY007086 [0,1,0,0,1,0|2,0,0]=4 637 B10R1.61 NC(=O)C1=CC=CC=C1Br SY026521 [0,1,0,0,1,0|1,0,0]=3 638 B10R1.61 NC(=O)C1=CC=CC=C1F SY023168 [0,1,0,0,1,0|1,0,0]=3 639 B10R1.61 NC(=O)C1=CC=CC=C1N SY001144 [0,1,0,0,1,0|1,0,0]=3 640 B10R1.61 NC(=O)C1=CC=NC=C1N SY024370 [0,1,0,0,1,0|2,0,0]=4 641 B10R1.61 NC1=C(C(=O)O)C=CC=N1 SY001124 [0,1,0,0,1,0|1,0,0]=3 642 B10R1.61 NC1=C(C(=O)O)N=CC=N1 SY005247 [0,1,0,0,1,0|2,0,0]=4 643 B10R1.61 NC1=C(C(=O)O)N=NC=C1 SY008428 [0,1,0,0,1,0|2,0,0]=4 644 B10R1.61 NC1=CC=CC=C1B(O)O SY022327 [0,1,0,0,1,0|1,0,1]=4 645 B10R1.61 NC1=CC=CC=C1B(O)O SY037284 [0,1,0,0,1,0|1,0,1]=4 646 B10R1.61 NC1=CC=CN=C1C(=O)O SY005540 [0,1,0,0,1,0|1,0,0]=3 647 B10R1.61 NC1=CC=NC=C1C(=O)O SY005556 [0,1,0,0,1,0|1,0,0]=3 648 B10R1.61 NC1=CN=CC=C1C(=O)O SY003330 [0,1,0,0,1,0|1,0,0]=3 649 B10R1.61 NC1=NC=NC=C1C(=O)O SY032667 [0,1,0,0,1,0|2,0,0]=4 650 B10R1.61 NC1=NN=CC=C1C(=O)O SY005535 [0,1,0,0,1,0|2,0,0]=4 651 B10R1.61 O=C(Cl)C1=CC=CN=C1Cl SY001379 [0,1,0,0,1,0|2,0,0]=4 652 B10R1.61 O=C(O)C1=C(Br)C=CC=C1 SY003796 [0,1,0,0,1,0|0,0,0]=2 653 B10R1.61 O=C(O)C1=C(Br)C=NC=C1 SY007802 [0,1,0,0,1,0|1,0,0]=3 654 B10R1.61 O=C(O)C1=C(Br)C=NN=C1 SY285860 [0,1,0,0,1,0|2,0,0]=4 655 B10R1.61 O=C(O)C1=C(Cl)C=NC=C1 SY007643 [0,1,0,0,1,0|1,0,0]=3 656 B10R1.61 O=C(O)C1=C(Cl)N=CC=C1 SY001758 [0,1,0,0,1,0|1,0,0]=3 657 B10R1.61 O=C(O)C1=C(F)C=NC=C1 SY021120 [0,1,0,0,1,0|1,0,0]=3 658 B10R1.61 O=C(O)C1=C(F)N=CC=C1 SY004382 [0,1,0,0,1,0|1,0,0]=3 659 B10R1.61 O=C(O)C1=C(O)C=CC=N1 SY017848 [0,1,0,0,1,0|1,0,0]=3 660 B10R1.61 O=C(O)C1=C(O)C=CN=C1 SY013019 [0,1,0,0,1,0|1,0,0]=3 661 B10R1.61 O=C(O)C1=C(O)N=CC=C1 SY003611 [0,1,0,0,1,0|1,0,0]=3 662 B10R1.61 O=C(O)C1=C(S)C=CC=C1 SY007814 [0,1,0,0,1,0|0,0,0]=2 663 B10R1.61 O=C(O)C1=C(S)N=CC=C1 SY018289 [0,1,0,0,1,0|1,0,0]=3 664 B10R1.61 O=C(O)C1=CC=CC=C1F SY001376 [0,1,0,0,1,0|0,0,0]=2 665 B10R1.61 O=C(O)C1=CC=CC=C1I SY001344 [0,1,0,0,1,0|0,0,0]=2 666 B10R1.61 O=C(O)C1=CC=CN=C1Br SY013308 [0,1,0,0,1,0|1,0,0]=3 667 B10R1.61 O=C(O)C1=CC=NC=C1O SY007397 [0,1,0,0,1,0|1,0,0]=3 668 B10R1.61 O=C(O)C1=CC=NNC1=O SY027338 [0,1,0,0,1,0|2,0,0]=4 669 B10R1.61 O=C(O)C1=CN=CC=C1Cl SY006770 [0,1,0,0,1,0|1,0,0]=3 670 B10R1.61 O=C(O)C1=CN=CN=C1Cl SY267611 [0,1,0,0,1,0|2,0,0]=4 671 B10R1.61 O=C(O)C1=CN=CNC1=O SY009650 [0,1,0,0,1,0|2,0,0]=4 672 B10R1.61 O=C(O)C1=NC=CC=C1Br SY004667 [0,1,0,0,1,0|1,0,0]=3 673 B10R1.61 O=C(O)C1=NC=CC=C1Cl SY007503 [0,1,0,0,1,0|1,0,0]=3 674 B10R1.61 O=C(O)C1=NC=CC=C1F SY013087 [0,1,0,0,1,0|1,0,0]=3 675 B10R1.61 O=C(O)C1=NC=CC=C1F SY016097 [0,1,0,0,1,0|1,0,0]=3 676 B10R1.61 O=C(O)C1=NC=CN=C1Br SY021901 [0,1,0,0,1,0|2,0,0]=4 677 B10R1.61 O=C(O)C1=NC=CN=C1Cl SY013464 [0,1,0,0,1,0|2,0,0]=4 678 B10R1.61 O=C(O)C1=NC=CN=C1I SY023922 [0,1,0,0,1,0|2,0,0]=4 679 B10R1.61 O=C(O)C1=NC=CN=C1O SY017462 [0,1,0,0,1,0|2,0,0]=4 680 B10R1.61 O=C([O-])C1=CC=CC=C1O SY013574 [0,1,0,0,1,0|0,0,1]=3 681 B10R1.61 OB(O)C1=CC=CC=C1Br SY032663 [0,1,0,0,1,0|1,0,1]=4 682 B10R1.61 OB(O)C1=CC=CC=C1Cl SY007772 [0,1,0,0,1,0|1,0,1]=4 683 B10R1.61 OB(O)C1=CC=CC=C1F SY001055 [0,1,0,0,1,0|1,0,1]=4 684 B10R1.61 OB(O)C1=CC=CC=C1O SY006783 [0,1,0,0,1,0|1,0,1]=4 685 B10R1.113 C=C(C)C1=CC(C)=CC=C1 SY225337 [0,1,0,0,1,0|2,0,0]=4 686 B10R1.113 C=C(C)C1=CC=CC(Br)=C1 SY225323 [0,1,0,0,1,0|2,0,0]=4 687 B10R1.113 C=C(C)C1=CC=CC(Cl)=C1 SY225324 [0,1,0,0,1,0|2,0,0]=4 688 B10R1.113 CC(=O)C1=CC(Br)=CN=C1 SY020986 [0,1,0,0,1,0|2,0,0]=4 689 B10R1.113 CC(=O)C1=CC(Br)=NC=C1 SY117232 [0,1,0,0,1,0|2,0,0]=4 690 B10R1.113 CC(=O)C1=CC(C)=CC=N1 SY005272 [0,1,0,0,1,0|2,0,0]=4 691 B10R1.113 CC(=O)C1=CC(Cl)=NC=C1 SY007670 [0,1,0,0,1,0|2,0,0]=4 692 B10R1.113 CC(=O)C1=CC(F)=CN=C1 SY105167 [0,1,0,0,1,0|2,0,0]=4 693 B10R1.113 CC(=O)C1=CC=CC(Br)=C1 SY001472 [0,1,0,0,1,0|1,0,0]=3 694 B10R1.113 CC(=O)C1=CC=CC(Br)=N1 SY005798 [0,1,0,0,1,0|2,0,0]=4 695 B10R1.113 CC(=O)C1=CC=CC(C)=N1 SY015030 [0,1,0,0,1,0|2,0,0]=4 696 B10R1.113 CC(=O)C1=CC=CC(F)=C1 SY007259 [0,1,0,0,1,0|1,0,0]=3 697 B10R1.113 CC(=O)C1=CC=CC(I)=C1 SY109511 [0,1,0,0,1,0|1,0,0]=3 698 B10R1.113 CC(=O)C1=CC=CC(N)=C1 SY001475 [0,1,0,0,1,0|1,0,0]=3 699 B10R1.113 CC(=O)C1=CC=CC(O)=C1 SY004849 [0,1,0,0,1,0|1,0,0]=3 700 B10R1.113 CC(=O)C1=NC=CC(Br)=C1 SY043151 [0,1,0,0,1,0|2,0,0]=4 701 B10R1.113 CC(O)C1=CC=CC(Br)=C1 SY005048 [0,1,0,0,1,0|1,0,1]=4 702 B10R1.113 CC(O)C1=CC=CC(Cl)=C1 SY005051 [0,1,0,0,1,0|1,0,1]=4 703 B10R1.113 CC(O)C1=CC=CC(O)=C1 SY005071 [0,1,0,0,1,0|1,0,1]=4 704 B10R1.113 CC1=CC(B(O)O)=CC=C1 SY002862 [0,1,0,0,1,0|1,0,1]=4 705 B10R1.113 CC1=CC(C(=O)O)=CN=C1 SY004561 [0,1,0,0,1,0|1,0,0]=3 706 B10R1.113 CC1=CC=CC(C(=O)O)=N1 SY004175 [0,1,0,0,1,0|1,0,0]=3 707 B10R1.113 CC1=CN=CC(C(=O)O)=N1 SY017452 [0,1,0,0,1,0|2,0,0]=4 708 B10R1.113 CC1=NC=CC(C(=O)O)=C1 SY013049 [0,1,0,0,1,0|1,0,0]=3 709 B10R1.113 C[C@@H](O)C1=CC=CC(Br)=C1 SY107032 [0,1,0,0,1,0|1,0,1]=4 710 B10R1.113 N=C(N)C1=CC=CC(Br)=C1 SY028768 [0,1,0,0,1,0|2,0,0]=4 711 B10R1.113 N=C(N)C1=CC=CC(Br)=C1 SY285003 [0,1,0,0,1,0|2,0,0]=4 712 B10R1.113 N=C(N)C1=CC=CC(Cl)=C1 SY106891 [0,1,0,0,1,0|2,0,0]=4 713 B10R1.113 NC(=O)C1=CC(Br)=CN=C1 SY001775 [0,1,0,0,1,0|2,0,0]=4 714 B10R1.113 NC(=O)C1=CC(F)=CC=C1 SY016219 [0,1,0,0,1,0|1,0,0]=3 715 B10R1.113 NC(=O)C1=CC(F)=CC=N1 SY007027 [0,1,0,0,1,0|2,0,0]=4 716 B10R1.113 NC(=O)C1=CC(N)=NC=C1 SY017536 [0,1,0,0,1,0|2,0,0]=4 717 B10R1.113 NC(=O)C1=CC(O)=CC=C1 SY004825 [0,1,0,0,1,0|1,0,0]=3 718 B10R1.113 NC(=O)C1=CC=CC(Br)=C1 SY020170 [0,1,0,0,1,0|1,0,0]=3 719 B10R1.113 NC(=O)C1=CC=CC(Cl)=C1 SY030316 [0,1,0,0,1,0|1,0,0]=3 720 B10R1.113 NC(=O)C1=CC=CC(I)=C1 SY041741 [0,1,0,0,1,0|1,0,0]=3 721 B10R1.113 NC(=O)C1=CC=CC(N)=C1 SY012693 [0,1,0,0,1,0|1,0,0]=3 722 B10R1.113 NC(=O)C1=CN=CC(F)=C1 SY008440 [0,1,0,0,1,0|2,0,0]=4 723 B10R1.113 NC(=O)C1=CN=CC(N)=C1 SY019492 [0,1,0,0,1,0|2,0,0]=4 724 B10R1.113 NC(=O)C1=NC=CC(Cl)=C1 SY007414 [0,1,0,0,1,0|2,0,0]=4 725 B10R1.113 NC(=O)C1=NC=CC(N)=C1 SY105172 [0,1,0,0,1,0|2,0,0]=4 726 B10R1.113 NC(=S)C1=CC=CC(Cl)=C1 SY003195 [0,1,0,0,1,0|1,1,0]=4 727 B10R1.113 NC1=CC(B(O)O)=CC=C1 SY002070 [0,1,0,0,1,0|1,0,1]=4 728 B10R1.113 NC1=CC(B(O)O)=CC=C1 SY067013 [0,1,0,0,1,0|1,0,1]=4 729 B10R1.113 NC1=CC(C(=O)O)=CC=C1 SY001800 [0,1,0,0,1,0|0,0,0]=2 730 B10R1.113 NC1=CC(C(=O)O)=NC=C1 SY009458 [0,1,0,0,1,0|1,0,0]=3 731 B10R1.113 NC1=CC(C(=O)O)=NC=C1 SY023428 [0,1,0,0,1,0|1,0,0]=3 732 B10R1.113 NC1=CC(C(=O)O)=NC=C1 SY026378 [0,1,0,0,1,0|1,0,0]=3 733 B10R1.113 NC1=CC=CC(B(O)O)=C1 SY003592 [0,1,0,0,1,0|1,0,1]=4 734 B10R1.113 NC1=CC=CC(C(=O)O)=N1 SY005202 [0,1,0,0,1,0|1,0,0]=3 735 B10R1.113 NC1=CN=CC(C(=O)O)=N1 SY017453 [0,1,0,0,1,0|2,0,0]=4 736 B10R1.113 NC1=NC=CC(C(=O)O)=N1 SY021660 [0,1,0,0,1,0|2,0,0]=4 737 B10R1.113 O=C(Cl)C1=CC=CC(F)=C1 SY006091 [0,1,0,0,1,0|1,0,0]=3 738 B10R1.113 O=C(O)C1=CC(Br)=NC=C1 SY017174 [0,1,0,0,1,0|1,0,0]=3 739 B10R1.113 O=C(O)C1=CC(Cl)=CN=C1 SY013173 [0,1,0,0,1,0|1,0,0]=3 740 B10R1.113 O=C(O)C1=CC(Cl)=NC=C1 SY003272 [0,1,0,0,1,0|1,0,0]=3 741 B10R1.113 O=C(O)C1=CC(Cl)=NN=C1 SY022238 [0,1,0,0,1,0|2,0,0]=4 742 B10R1.113 O=C(O)C1=CC(F)=CC=N1 SY009049 [0,1,0,0,1,0|1,0,0]=3 743 B10R1.113 O=C(O)C1=CC(F)=NC=C1 SY024079 [0,1,0,0,1,0|1,0,0]=3 744 B10R1.113 O=C(O)C1=CC(I)=NC=C1 SY275245 [0,1,0,0,1,0|1,0,0]=3 745 B10R1.113 O=C(O)C1=CC(O)=NC=C1 SY007554 [0,1,0,0,1,0|1,0,0]=3 746 B10R1.113 O=C(O)C1=CC=CC(Br)=C1 SY001482 [0,1,0,0,1,0|0,0,0]=2 747 B10R1.113 O=C(O)C1=CC=CC(Cl)=C1 SY001122 [0,1,0,0,1,0|0,0,0]=2 748 B10R1.113 O=C(O)C1=CC=CC(F)=C1 SY002150 [0,1,0,0,1,0|0,0,0]=2 749 B10R1.113 O=C(O)C1=CC=CC(F)=N1 SY016861 [0,1,0,0,1,0|1,0,0]=3 750 B10R1.113 O=C(O)C1=CC=CC(I)=C1 SY001406 [0,1,0,0,1,0|0,0,0]=2 751 B10R1.113 O=C(O)C1=CC=C[N+]([O-])=C1 SY112140 [0,1,0,0,1,0|1,0,0]=3 752 B10R1.113 O=C(O)C1=CN=CC(Br)=C1 SY001554 [0,1,0,0,1,0|1,0,0]=3 753 B10R1.113 O=C(O)C1=CN=CC(F)=C1 SY005275 [0,1,0,0,1,0|1,0,0]=3 754 B10R1.113 O=C(O)C1=CN=CC(O)=C1 SY003082 [0,1,0,0,1,0|1,0,0]=3 755 B10R1.113 O=C(O)C1=NC(Br)=CC=C1 SY004392 [0,1,0,0,1,0|1,0,0]=3 756 B10R1.113 O=C(O)C1=NC(Br)=CN=C1 SY059121 [0,1,0,0,1,0|2,0,0]=4 757 B10R1.113 O=C(O)C1=NC(Br)=NC=C1 SY121371 [0,1,0,0,1,0|2,0,0]=4 758 B10R1.113 O=C(O)C1=NC(Cl)=CC=C1 SY007552 [0,1,0,0,1,0|1,0,0]=3 759 B10R1.113 O=C(O)C1=NC(Cl)=CN=C1 SY017455 [0,1,0,0,1,0|2,0,0]=4 760 B10R1.113 O=C(O)C1=NC(Cl)=NC=C1 SY009367 [0,1,0,0,1,0|2,0,0]=4 761 B10R1.113 O=C(O)C1=NC(O)=CC=C1 SY003534 [0,1,0,0,1,0|1,0,0]=3 762 B10R1.113 O=C(O)C1=NC=CC(Br)=C1 SY002817 [0,1,0,0,1,0|1,0,0]=3 763 B10R1.113 O=C(O)C1=NC=CC(Cl)=C1 SY003269 [0,1,0,0,1,0|1,0,0]=3 764 B10R1.113 O=C(O)C1=NC=CC(I)=C1 SY031004 [0,1,0,0,1,0|1,0,0]=3 765 B10R1.113 O=C(O)C1=NC=CC(O)=C1 SY011044 [0,1,0,0,1,0|1,0,0]=3 766 B10R1.113 O=C(O)C1=NC=CC(O)=C1 SY013177 [0,1,0,0,1,0|1,0,0]=3 767 B10R1.113 O=C(O)C1=NC=NC(O)=C1 SY006725 [0,1,0,0,1,0|2,0,0]=4 768 B10R1.113 O=C1C=C(C(=O)O)C=NN1 SY111927 [0,1,0,0,1,0|2,0,0]=4 769 B10R1.113 O=C1N=C(C(=O)O)C=CN1 SY022754 [0,1,0,0,1,0|2,0,0]=4 770 B10R1.113 OB(O)C1=CC(O)=CC=C1 SY003747 [0,1,0,0,1,0|1,0,1]=4 771 B10R1.113 OB(O)C1=CC=CC(Br)=C1 SY019959 [0,1,0,0,1,0|1,0,1]=4 772 B10R1.113 OB(O)C1=CC=CC(Cl)=C1 SY005777 [0,1,0,0,1,0|1,0,1]=4 773 B10R1.113 OB(O)C1=CC=CC(F)=C1 SY002210 [0,1,0,0,1,0|1,0,1]=4 774 B10R1.113 OB(O)C1=CC=CC(I)=C1 SY030481 [0,1,0,0,1,0|1,0,1]=4 775 B10R1.23 CC(C(=O)O)C1=COC=C1 SY253516 [0,1,0,0,1,0|1,0,0]=3 776 B10R1.23 C[C@H](C(=O)O)N1C=CN=C1 SY024266 [0,1,0,0,1,0|2,0,0]=4 777 B10R1.23 NC(C(=O)O)C1=CC=CS1 SY014049 [0,1,0,0,1,0|1,0,0]=3 778 B10R1.23 NC(C(=O)O)C1=CSC=C1 SY015213 [0,1,0,0,1,0|1,0,0]=3 779 B10R1.23 NC(C(=O)O)C1=CSC=C1 SY025903 [0,1,0,0,1,0|1,0,0]=3 780 B10R1.23 O=C(O)C(=O)C1=CC=CN1 SY299895 [0,1,0,0,1,0|1,0,1]=4 781 B10R1.23 O=C(O)C(F)C1=CSC=C1 SY263434 [0,1,0,0,1,0|1,0,0]=3 782 B10R1.27 COC(=O)CC1=CC=CS1 SY233030 [0,1,0,0,1,0|1,0,0]=3 783 B10R1.27 COC(=O)CN1C=CN=C1 SY005431 [0,1,0,0,1,0|2,0,0]=4 784 B10R1.54 CC1=CN(CC(=O)O)N=C1 SY080637 [0,1,0,0,1,0|2,0,0]=4 785 B10R1.54 CC1=NOC(CC(=O)O)=C1 SY128203 [0,1,0,0,1,0|2,0,0]=4 786 B10R1.54 C[N+]1=CN(CC(=O)O)C=C1 SY121949 [0,1,0,0,1,0|2,0,0]=4 787 B10R1.54 NC1=NC(CC(=O)O)=CS1 SY019218 [0,1,0,0,1,0|2,0,0]=4 788 B10R1.54 NC1=NC(CC(=O)O)=CS1 SY026556 [0,1,0,0,1,0|2,0,0]=4 789 B10R1.54 NC1=NNC(CC(=O)O)=C1 SY034307 [0,1,0,0,1,0|2,0,0]=4 790 B10R1.54 O=C(Cl)CC1=CC=C(Br)S1 SY261965 [0,1,0,0,1,0|2,0,0]=4 791 B10R1.54 O=C(O)CC1=CC=C(Br)S1 SY077014 [0,1,0,0,1,0|1,0,0]=3 792 B10R1.54 O=C(O)CN1C=C(Br)C=N1 SY045887 [0,1,0,0,1,0|2,0,0]=4 793 B10R1.54 O=C(O)CN1C=C(Cl)C=N1 SY045842 [0,1,0,0,1,0|2,0,0]=4 794 B10R1.64 CC1=C(CC(=O)O)C=NO1 SY226121 [0,1,0,0,1,0|2,0,0]=4 795 B10R1.64 CC1=C(CC(=O)O)N=CO1 SY226060 [0,1,0,0,1,0|2,0,0]=4 796 B10R1.64 CC1=C(CC(=O)O)OC=N1 SY226061 [0,1,0,0,1,0|2,0,0]=4 797 B10R1.64 CC1=C(CC(=O)O)SC=N1 SY033094 [0,1,0,0,1,0|2,0,0]=4 798 B10R1.64 O=C(O)CC1=C(Cl)C=CO1 SY233430 [0,1,0,0,1,0|1,0,0]=3 799 B12R1.21 CC(=O)CCC1=CC=C(C)C=C1 SY022010 [0,1,0,0,0,1|1,0,0]=3 800 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 SY004032 [0,1,0,0,0,1|1,0,0]=3 801 B12R1.21 CC1=CC=C(CCC(=O)O)C=C1 SY007830 [0,1,0,0,0,1|0,0,0]=2 802 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 SY003984 [0,1,0,0,0,1|0,0,1]=3 803 B12R1.21 N=C(N)NCC1=CC=C(N)C=C1 SY238059 [0,1,0,0,0,1|2,0,0]=4 804 B12R1.21 NC1=CC=C(\C=C\C(=O)O)C=N1 SY023087 [0,1,0,0,0,1|1,0,1]=4 805 B12R1.21 O=C(Cl)COC1=CC=C(F)C=C1 SY079645 [0,1,0,0,0,1|1,0,0]=3 806 B12R1.21 O=C(O)C=CC1=CC=C(Cl)C=C1 SY003740 [0,1,0,0,0,1|0,0,1]=3 807 B12R1.21 O=C(O)C=CC1=CC=C(F)C=C1 SY036413 [0,1,0,0,0,1|0,0,1]=3 808 B12R1.21 O=C(O)C=CC1=CC=C(O)C=C1 SY015618 [0,1,0,0,0,1|0,0,1]=3 809 B12R1.21 O=C(O)CCC1=CC=C(Br)C=C1 SY013641 [0,1,0,0,0,1|0,0,0]=2 810 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 SY003370 [0,1,0,0,0,1|0,0,0]=2 811 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 SY006122 [0,1,0,0,0,1|0,0,0]=2 812 B12R1.21 O=C(O)CCC1=CC=C(I)C=C1 SY016883 [0,1,0,0,0,1|0,0,0]=2 813 B12R1.21 O=C(O)COC1=CC=C(Br)C=C1 SY012298 [0,1,0,0,0,1|0,0,0]=2 814 B12R1.21 O=C(O)COC1=CC=C(F)C=C1 SY003346 [0,1,0,0,0,1|0,0,0]=2 815 B12R1.21 O=C(O)COC1=CC=C(I)C=C1 SY049560 [0,1,0,0,0,1|0,0,0]=2 816 B12R1.21 O=C(O)\C=C\C1=CC=C(Br)C=C1 SY012252 [0,1,0,0,0,1|0,0,1]=3 817 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 SY020906 [0,1,0,0,0,1|0,0,1]=3 818 B12R1.21 O=[N+]([O-])CCC1=CC=C(F)C=C1 SY266526 [0,1,0,0,0,1|1,0,1]=4 819 B12R1.27 C=CC(=O)OCC1=CC=CC=C1 SY004327 [0,1,0,0,0,1|1,0,0]=3 820 B12R1.27 CC(CO)OCC1=CC=CC=C1 SY030243 [0,1,0,0,0,1|1,0,1]=4 821 B12R1.27 COC(=O)C#CC1=CC=CN=C1 SY022413 [0,1,0,0,0,1|1,0,1]=4 822 B12R1.27 COC(=O)C#CC1=CC=NC=C1 SY022412 [0,1,0,0,0,1|1,0,1]=4 823 B12R1.27 COC(=O)C#CC1=NC=CC=C1 SY022414 [0,1,0,0,0,1|1,0,1]=4 824 B12R1.27 COC(=O)CCC1=CC=CC=C1 SY017877 [0,1,0,0,0,1|0,0,0]=2 825 B12R1.27 COC(=O)CCC1=CC=NC=C1 SY022395 [0,1,0,0,0,1|1,0,0]=3 826 B12R1.27 COC(=O)CCC1=NC=CC=C1 SY022458 [0,1,0,0,0,1|1,0,0]=3 827 B12R1.27 COC(=O)COC1=CC=CC=C1 SY037886 [0,1,0,0,0,1|0,0,0]=2 828 B12R1.27 C[C@H](CO)NCC1=CC=CC=C1 SY123602 [0,1,0,0,0,1|1,0,1]=4 829 B12R1.27 NCC(=O)OCC1=CC=CC=C1 SY021003 [0,1,0,0,0,1|1,0,0]=3 830 B12R1.27 NCC(=O)OCC1=CC=CC=C1 SY038933 [0,1,0,0,0,1|1,0,0]=3 831 B12R1.27 NNC(=O)OCC1=CC=CC=C1 SY017007 [0,1,0,0,0,1|1,0,0]=3 832 B12R1.27 O=C(CBr)OCC1=CC=CC=C1 SY002918 [0,1,0,0,0,1|1,0,0]=3 833 B12R1.27 O=C(CO)OCC1=CC=CC=C1 SY115712 [0,1,0,0,0,1|0,0,0]=2 834 B12R1.27 O=C(NO)OCC1=CC=CC=C1 SY024162 [0,1,0,0,0,1|0,0,0]=2 835 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O SY006039 [0,1,0,0,0,1|0,0,0]=2 836 B12R1.43 CC(CC1=CC=CC=C1)C(=O)O SY185587 [0,1,0,0,0,1|0,0,0]=2 837 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 SY009482 [0,1,0,0,0,1|1,0,0]=3 838 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 SY036427 [0,1,0,0,0,1|1,0,0]=3 839 B12R1.43 NC(=O)[C@H](N)CC1=CC=CC=C1 SY034084 [0,1,0,0,0,1|1,0,0]=3 840 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O SY001531 [0,1,0,0,0,1|0,0,0]=2 841 B12R1.43 N[C@@H](CC1=CC=CN=C1)C(=O)O SY057601 [0,1,0,0,0,1|1,0,0]=3 842 B12R1.43 N[C@@H](CC1=NC=CC=C1)C(=O)O SY057718 [0,1,0,0,0,1|1,0,0]=3 843 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O SY005120 [0,1,0,0,0,1|0,0,0]=2 844 B12R1.43 N[C@H](CC1=CC=CN=C1)C(=O)O SY033040 [0,1,0,0,0,1|1,0,0]=3 845 B12R1.43 O=C(O)C(Br)CC1=CC=CC=C1 SY103074 [0,1,0,0,0,1|0,0,0]=2 846 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 SY036063 [0,1,0,0,0,1|0,0,0]=2 847 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 SY020879 [0,1,0,0,0,1|0,0,0]=2 848 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 SY021341 [0,1,0,0,0,1|0,0,0]=2 849 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 SY011141 [0,1,0,0,0,1|1,0,0]=3 850 B12R1.107 CC(=O)NC(C)C1=CC=CC=C1 SY007036 [0,1,0,0,0,1|1,0,0]=3 851 B12R1.107 CC(CC(N)=O)C1=CC=CC=C1 SY249488 [0,1,0,0,0,1|1,0,0]=3 852 B12R1.107 CC(O)=CC(=O)C1=CC=CC=C1 SY266279 [0,1,0,0,0,1|1,0,1]=4 853 B12R1.107 CN(CC(=O)O)C1=NC=CC=C1 SY008636 [0,1,0,0,0,1|1,0,0]=3 854 B12R1.107 C[C@@H](CC(=O)O)C1=CC=CC=C1 SY231348 [0,1,0,0,0,1|0,0,0]=2 855 B12R1.107 C[C@H](CC(=O)O)C1=CC=CC=C1 SY226436 [0,1,0,0,0,1|0,0,0]=2 856 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 SY002485 [0,1,0,0,0,1|0,0,0]=2 857 B12R1.107 NC(CC(=O)O)C1=CC=CN=C1 SY013379 [0,1,0,0,0,1|1,0,0]=3 858 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 SY017494 [0,1,0,0,0,1|0,0,0]=2 859 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 SY014163 [0,1,0,0,0,1|0,0,0]=2 860 B12R1.107 O=C(O)CC(=O)C1=CC=CC=C1 SY045029 [0,1,0,0,0,1|0,0,0]=2 861 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 SY017555 [0,1,0,0,0,1|0,0,0]=2 862 B12R1.125 CC1=C(\C=C\C(=O)O)C=CC=C1 SY015112 [0,1,0,0,0,1|0,0,1]=3 863 B12R1.125 CC1=CC=CC=C1CCC(=O)O SY017785 [0,1,0,0,0,1|0,0,0]=2 864 B12R1.125 N=C(N)COC1=CC=CC=C1Cl SY003969 [0,1,0,0,0,1|2,0,0]=4 865 B12R1.125 O=C(O)CCC1=CC=CC=C1Br SY017169 [0,1,0,0,0,1|0,0,0]=2 866 B12R1.125 O=C(O)CCC1=CC=CC=C1Cl SY003324 [0,1,0,0,0,1|0,0,0]=2 867 B12R1.125 O=C(O)CCC1=CC=CC=C1F SY016160 [0,1,0,0,0,1|0,0,0]=2 868 B12R1.125 O=C(O)CCC1=CC=CC=C1I SY238889 [0,1,0,0,0,1|0,0,0]=2 869 B12R1.125 O=C(O)CCC1=CC=CC=C1O SY101015 [0,1,0,0,0,1|0,0,0]=2 870 B12R1.125 O=C(O)CCC1=NC=CC=C1Br SY244454 [0,1,0,0,0,1|1,0,0]=3 871 B12R1.125 O=C(O)COC1=CC=CC=C1F SY008332 [0,1,0,0,0,1|0,0,0]=2 872 B12R1.125 O=C(O)\C=C\C1=C(F)C=CC=C1 SY009527 [0,1,0,0,0,1|0,0,1]=3 873 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1Cl SY003739 [0,1,0,0,0,1|0,0,1]=3 874 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1O SY048367 [0,1,0,0,0,1|0,0,1]=3 875 B12R1.125 O=[N+]([O-])CCC1=CC=CC=C1Cl SY266525 [0,1,0,0,0,1|1,0,1]=4 876 B12R1.226 CC1=CC(CCC(=O)O)=CC=C1 SY062646 [0,1,0,0,0,1|0,0,0]=2 877 B12R1.226 CC1=CC(\C=C\C(=O)O)=CC=C1 SY003985 [0,1,0,0,0,1|0,0,1]=3 878 B12R1.226 N=C(N)NCC1=CC=CC(F)=C1 SY294082 [0,1,0,0,0,1|2,0,0]=4 879 B12R1.226 NC(=O)CCC1=CC=CC(Br)=C1 SY032519 [0,1,0,0,0,1|1,0,0]=3 880 B12R1.226 NC1=CC(CCC(=O)O)=CC=C1 SY062293 [0,1,0,0,0,1|0,0,0]=2 881 B12R1.226 O=C(Cl)COC1=CC=CC(F)=C1 SY128814 [0,1,0,0,0,1|1,0,0]=3 882 B12R1.226 O=C(O)CCC1=CC(Br)=CC=C1 SY013761 [0,1,0,0,0,1|0,0,0]=2 883 B12R1.226 O=C(O)CCC1=CC=CC(Cl)=C1 SY017063 [0,1,0,0,0,1|0,0,0]=2 884 B12R1.226 O=C(O)CCC1=CC=CC(F)=C1 SY017727 [0,1,0,0,0,1|0,0,0]=2 885 B12R1.226 O=C(O)CCC1=CC=CC(O)=C1 SY022016 [0,1,0,0,0,1|0,0,0]=2 886 B12R1.226 O=C(O)COC1=CC(Cl)=CC=C1 SY008336 [0,1,0,0,0,1|0,0,0]=2 887 B12R1.226 O=C(O)COC1=CC=CC(Br)=C1 SY122974 [0,1,0,0,0,1|0,0,0]=2 888 B12R1.226 O=C(O)COC1=CC=CC(F)=C1 SY008331 [0,1,0,0,0,1|0,0,0]=2 889 B12R1.226 O=C(O)\C=C\C1=CC(Cl)=CC=C1 SY003741 [0,1,0,0,0,1|0,0,1]=3 890 B12R1.226 O=C(O)\C=C\C1=CC=CC(Br)=C1 SY012681 [0,1,0,0,0,1|0,0,1]=3 891 B12R1.226 O=[N+]([O-])CCC1=CC=CC(Cl)=C1 SY266524 [0,1,0,0,0,1|1,0,1]=4 892 B12R1.226 O=[N+]([O-])CCC1=CC=CC(F)=C1 SY266555 [0,1,0,0,0,1|1,0,1]=4 893 B12R1.891 O=S(=O)(Cl)CCC1=CC=CC=C1 SY039026 [0,1,0,0,0,1|1,0,1]=4 894 B12R1.4 C=CC1=CC=C(OC(C)=O)C=C1 SY036403 [0,2,0,0,0,0|2,0,0]=4 895 B12R1.4 CC(=O)NC1=CC=C(C=O)C=C1 SY011377 [0,2,0,0,0,0|2,0,0]=4 896 B12R1.4 CC(=O)NC1=CC=C(CN)C=C1 SY111828 [0,2,0,0,0,0|2,0,0]=4 897 B12R1.4 CC(=O)OC1=CC=C(C=O)C=C1 SY042565 [0,2,0,0,0,0|2,0,0]=4 898 B12R1.4 CC(=O)OC1=CC=C(CBr)C=C1 SY115097 [0,2,0,0,0,0|2,0,0]=4 899 B12R1.4 CCC1=CC=C(OC(=O)Cl)C=C1 SY296912 [0,2,0,0,0,0|2,0,0]=4 900 B12R1.4 COC1=CC=C(CC(=O)O)C=C1 SY001095 [0,2,0,0,0,0|0,0,0]=2 901 B12R1.4 COC1=CC=C(CC(=O)O)C=N1 SY013002 [0,2,0,0,0,0|1,0,0]=3 902 B12R1.4 COC1=CC=C(CC(C)=O)C=C1 SY001528 [0,2,0,0,0,0|1,0,0]=3 903 B12R1.4 COC1=CC=C(NC(C)=O)C=C1 SY078829 [0,2,0,0,0,0|2,0,0]=4 904 B12R1.4 CSC1=CC=C(OC(=O)Cl)C=C1 SY296966 [0,2,0,0,0,0|2,0,0]=4 905 B12R1.4 N#CC1=CC=C(CC(=O)Cl)C=C1 SY292155 [0,2,0,0,0,0|1,0,0]=3 906 B12R1.4 N#CC1=CC=C(CC(=O)O)C=C1 SY007137 [0,2,0,0,0,0|0,0,0]=2 907 B12R1.4 N#CC1=CC=C(CC(N)=O)C=C1 SY147070 [0,2,0,0,0,0|1,0,0]=3 908 B12R1.4 N#CC1=CC=C(CC(N)=S)C=C1 SY292154 [0,2,0,0,0,0|1,1,0]=4 909 B12R1.4 NCC1=CC=C(CC(N)=O)C=C1 SY166682 [0,2,0,0,0,0|1,0,0]=3 910 B12R1.4 O=C(O)CC1=CC=C(CBr)C=C1 SY017383 [0,2,0,0,0,0|0,0,0]=2 911 B12R1.4 O=C(O)CC1=CC=C(CBr)C=C1 SY278691 [0,2,0,0,0,0|0,0,0]=2 912 B12R1.4 O=C(O)CC1=CC=C(CCl)C=C1 SY019601 [0,2,0,0,0,0|0,0,0]=2 913 B12R1.4 O=C(O)CC1=CC=C(CO)C=C1 SY046320 [0,2,0,0,0,0|0,0,0]=2 914 B12R1.4 O=CC1=CC=C(CC(=O)O)C=C1 SY026371 [0,2,0,0,0,0|0,0,0]=2 915 B12R1.19 CC(=O)NC1=CC=C(C)C(I)=C1 SY246514 [0,2,0,0,0,0|2,0,0]=4 916 B12R1.19 CC(=O)NC1=CC=C(F)C(Br)=C1 SY012033 [0,2,0,0,0,0|2,0,0]=4 917 B12R1.19 CC(=O)NC1=CC=C(O)C(Cl)=C1 SY101186 [0,2,0,0,0,0|2,0,0]=4 918 B12R1.19 CC1=CC(CC(=O)O)=CC=C1Br SY110282 [0,2,0,0,0,0|0,0,0]=2 919 B12R1.19 CC1=CC(CC(=O)O)=CC=C1N SY026682 [0,2,0,0,0,0|0,0,0]=2 920 B12R1.19 CC1=CC(OC(=O)Cl)=CC=C1Br SY296908 [0,2,0,0,0,0|2,0,0]=4 921 B12R1.19 CC1=CC(OC(=O)Cl)=CC=C1Cl SY296959 [0,2,0,0,0,0|2,0,0]=4 922 B12R1.19 CC1=CC(OC(=O)Cl)=CC=C1F SY142550 [0,2,0,0,0,0|2,0,0]=4 923 B12R1.19 CC1=CC=C(CC(=O)O)C=C1C SY021853 [0,2,0,0,0,0|0,0,0]=2 924 B12R1.19 CC1=CC=C(OC(=O)Cl)C=C1Br SY296851 [0,2,0,0,0,0|2,0,0]=4 925 B12R1.19 CC1=CC=C(OC(=O)Cl)C=C1C SY296956 [0,2,0,0,0,0|2,0,0]=4 926 B12R1.19 CC1=CC=C(OC(=O)Cl)C=C1Cl SY297034 [0,2,0,0,0,0|2,0,0]=4 927 B12R1.19 CC1=CC=C(OC(=O)Cl)C=C1F SY296927 [0,2,0,0,0,0|2,0,0]=4 928 B12R1.19 O=C(Cl)OC1=CC=C(Br)C(Cl)=C1 SY296873 [0,2,0,0,0,0|2,0,0]=4 929 B12R1.19 O=C(Cl)OC1=CC=C(Cl)C(Br)=C1 SY296920 [0,2,0,0,0,0|2,0,0]=4 930 B12R1.19 O=C(Cl)OC1=CC=C(Cl)C(F)=C1 SY297036 [0,2,0,0,0,0|2,0,0]=4 931 B12R1.19 O=C(Cl)OC1=CC=C(F)C(Br)=C1 SY296877 [0,2,0,0,0,0|2,0,0]=4 932 B12R1.19 O=C(Cl)OC1=CC=C(F)C(Cl)=C1 SY296933 [0,2,0,0,0,0|2,0,0]=4 933 B12R1.19 O=C(Cl)OC1=CC=C(F)C(F)=C1 SY296916 [0,2,0,0,0,0|2,0,0]=4 934 B12R1.19 O=C(O)CC1=CC=C(Br)C(F)=C1 SY021396 [0,2,0,0,0,0|0,0,0]=2 935 B12R1.19 O=C(O)CC1=CC=C(Cl)C(Cl)=C1 SY003305 [0,2,0,0,0,0|0,0,0]=2 936 B12R1.19 O=C(O)CC1=CC=C(Cl)C(F)=C1 SY041310 [0,2,0,0,0,0|0,0,0]=2 937 B12R1.19 O=C(O)CC1=CC=C(F)C(Br)=C1 SY018603 [0,2,0,0,0,0|0,0,0]=2 938 B12R1.19 O=C(O)CC1=CC=C(F)C(Cl)=C1 SY019212 [0,2,0,0,0,0|0,0,0]=2 939 B12R1.19 O=C(O)CC1=CC=C(F)C(F)=C1 SY024310 [0,2,0,0,0,0|0,0,0]=2 940 B12R1.19 O=C(O)CC1=CC=C(O)C(Br)=C1 SY039207 [0,2,0,0,0,0|0,0,0]=2 941 B12R1.19 O=C(O)CC1=CC=C(O)C(O)=C1 SY015718 [0,2,0,0,0,0|0,0,0]=2 942 B12R1.20 CC(C(=O)O)C1=CC=C(F)C=C1 SY021366 [0,2,0,0,0,0|0,0,0]=2 943 B12R1.20 CC(C(=O)O)C1=CC=C(N)C=C1 SY229641 [0,2,0,0,0,0|0,0,0]=2 944 B12R1.20 CC(C(N)=O)C1=CC=C(Br)C=C1 SY233699 [0,2,0,0,0,0|1,0,0]=3 945 B12R1.20 CC1=CC=C(C(C)C(=O)O)C=C1 SY023256 [0,2,0,0,0,0|0,0,0]=2 946 B12R1.20 CC1=CC=C(C(F)C(=O)O)C=C1 SY263432 [0,2,0,0,0,0|0,0,0]=2 947 B12R1.20 C[C@@H](C(=O)O)C1=CC=C(O)C=C1 SY232364 [0,2,0,0,0,0|0,0,0]=2 948 B12R1.20 C[C@H](C(=O)O)C1=CC=C(O)C=C1 SY232323 [0,2,0,0,0,0|0,0,0]=2 949 B12R1.20 NC(C(=O)O)C1=CC=C(Br)C=C1 SY004786 [0,2,0,0,0,0|0,0,0]=2 950 B12R1.20 NC(C(=O)O)C1=CC=C(Cl)C=C1 SY017756 [0,2,0,0,0,0|0,0,0]=2 951 B12R1.20 NC(C(=O)O)C1=CC=C(F)C=C1 SY004676 [0,2,0,0,0,0|0,0,0]=2 952 B12R1.20 NC(C(=O)O)C1=CC=C(F)C=C1 SY015212 [0,2,0,0,0,0|0,0,0]=2 953 B12R1.20 NC(C(=O)O)C1=CC=C(O)C=C1 SY032272 [0,2,0,0,0,0|0,0,0]=2 954 B12R1.20 NC1=CC=C([C@@H](O)C(=O)O)C=C1 SY290823 [0,2,0,0,0,0|0,0,0]=2 955 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(F)C=C1 SY004700 [0,2,0,0,0,0|0,0,0]=2 956 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(O)C=C1 SY036146 [0,2,0,0,0,0|0,0,0]=2 957 B12R1.20 N[C@H](C(=O)O)C1=CC=C(Cl)C=C1 SY034129 [0,2,0,0,0,0|0,0,0]=2 958 B12R1.20 N[C@H](C(=O)O)C1=CC=C(F)C=C1 SY004699 [0,2,0,0,0,0|0,0,0]=2 959 B12R1.20 N[C@H](C(=O)O)C1=CC=C(O)C=C1 SY047013 [0,2,0,0,0,0|0,0,0]=2 960 B12R1.20 O=C(O)C(=O)C1=CC=C(Cl)C=C1 SY042913 [0,2,0,0,0,0|0,0,1]=3 961 B12R1.20 O=C(O)C(F)C1=CC=C(Cl)C=C1 SY263425 [0,2,0,0,0,0|0,0,0]=2 962 B12R1.20 O=C(O)C(O)C1=CC=C(Cl)C=C1 SY018914 [0,2,0,0,0,0|0,0,0]=2 963 B12R1.20 O=C(O)C(O)C1=CC=C(F)C=C1 SY016990 [0,2,0,0,0,0|0,0,0]=2 964 B12R1.20 O=C(O)[C@H](O)C1=CC=C(F)C=C1 SY264087 [0,2,0,0,0,0|0,0,0]=2 965 B12R1.49 C=CC(=O)NC1=CC=C(O)C=C1 SY288307 [0,2,0,0,0,0|2,0,0]=4 966 B12R1.49 CCC(=O)NC1=CC=C(O)C=C1 SY139358 [0,2,0,0,0,0|2,0,0]=4 967 B12R1.49 COC(=O)CC1=CC=C(Br)C=C1 SY021204 [0,2,0,0,0,0|0,0,0]=2 968 B12R1.49 COC(=O)CC1=CC=C(Br)N=C1 SY235517 [0,2,0,0,0,0|1,0,0]=3 969 B12R1.49 COC(=O)CC1=CC=C(C)C=C1 SY052935 [0,2,0,0,0,0|0,0,0]=2 970 B12R1.49 COC(=O)CC1=CC=C(Cl)C=C1 SY051360 [0,2,0,0,0,0|0,0,0]=2 971 B12R1.49 COC(=O)CC1=CC=C(Cl)N=C1 SY030613 [0,2,0,0,0,0|1,0,0]=3 972 B12R1.49 COC(=O)CC1=CC=C(F)C=C1 SY041951 [0,2,0,0,0,0|0,0,0]=2 973 B12R1.49 COC(=O)CC1=CC=C(I)C=C1 SY041745 [0,2,0,0,0,0|0,0,0]=2 974 B12R1.49 COC(=O)CC1=CC=C(N)C=C1 SY100571 [0,2,0,0,0,0|0,0,0]=2 975 B12R1.49 COC(=O)CC1=CC=C(N)N=C1 SY278591 [0,2,0,0,0,0|1,0,0]=3 976 B12R1.49 COC(=O)CC1=CC=C(O)C=C1 SY001844 [0,2,0,0,0,0|0,0,0]=2 977 B12R1.49 COC(=O)CC1=NC=C(Br)C=C1 SY029783 [0,2,0,0,0,0|1,0,0]=3 978 B12R1.49 NC(CO)CC1=CC=C(Cl)C=C1 SY022058 [0,2,0,0,0,0|1,0,1]=4 979 B12R1.49 NC(CO)CC1=CC=C(Cl)C=C1 SY107318 [0,2,0,0,0,0|1,0,1]=4 980 B12R1.49 N[C@@H](CO)CC1=CC=C(Cl)C=C1 SY285307 [0,2,0,0,0,0|1,0,1]=4 981 B12R1.49 N[C@H](CO)CC1=CC=C(Cl)C=C1 SY285313 [0,2,0,0,0,0|1,0,1]=4 982 B12R1.49 O=C(CCl)NC1=CC=C(Cl)C=C1 SY081416 [0,2,0,0,0,0|2,0,0]=4 983 B12R1.106 CS(=O)(=O)CC1=CC=C(N)C=C1 SY083862 [0,2,0,0,0,0|1,0,1]=4 984 B12R1.106 O=S(=O)(Cl)CC1=CC=C(Br)C=C1 SY046217 [0,2,0,0,0,0|1,0,1]=4 985 B12R1.233 CC(=O)NC1=CC=C(Br)C=C1C SY048875 [0,2,0,0,0,0|2,0,0]=4 986 B12R1.233 CC(=O)NC1=CC=C(C)C=C1C SY005895 [0,2,0,0,0,0|2,0,0]=4 987 B12R1.233 CC1=CC(Br)=CC=C1OC(=O)Cl SY297022 [0,2,0,0,0,0|2,0,0]=4 988 B12R1.233 CC1=CC(Cl)=CC=C1CC(=O)O SY272295 [0,2,0,0,0,0|0,0,0]=2 989 B12R1.233 CC1=CC(Cl)=CC=C1OC(=O)Cl SY296810 [0,2,0,0,0,0|2,0,0]=4 990 B12R1.233 CC1=CC(F)=CC=C1OC(=O)Cl SY166976 [0,2,0,0,0,0|2,0,0]=4 991 B12R1.233 CC1=CC=C(CC(=O)O)C(C)=C1 SY021822 [0,2,0,0,0,0|0,0,0]=2 992 B12R1.233 CC1=CC=C(OC(=O)Cl)C(Br)=C1 SY296925 [0,2,0,0,0,0|2,0,0]=4 993 B12R1.233 CC1=CC=C(OC(=O)Cl)C(Cl)=C1 SY296842 [0,2,0,0,0,0|2,0,0]=4 994 B12R1.233 O=C(Cl)OC1=CC=C(Br)C=C1F SY156131 [0,2,0,0,0,0|2,0,0]=4 995 B12R1.233 O=C(Cl)OC1=CC=C(Cl)C=C1F SY296853 [0,2,0,0,0,0|2,0,0]=4 996 B12R1.233 O=C(Cl)OC1=CC=C(F)C=C1Cl SY296910 [0,2,0,0,0,0|2,0,0]=4 997 B12R1.233 O=C(Cl)OC1=CC=C(F)C=C1F SY173125 [0,2,0,0,0,0|2,0,0]=4 998 B12R1.233 O=C(O)CC1=C(Cl)C=C(Cl)C=C1 SY003610 [0,2,0,0,0,0|0,0,0]=2 999 B12R1.233 O=C(O)CC1=CC=C(Br)C=C1F SY018076 [0,2,0,0,0,0|0,0,0]=2 1000 B12R1.233 O=C(O)CC1=CC=C(Cl)C=C1Br SY045471 [0,2,0,0,0,0|0,0,0]=2 1001 B12R1.233 O=C(O)CC1=CC=C(Cl)C=C1F SY014146 [0,2,0,0,0,0|0,0,0]=2 1002 B12R1.233 O=C(O)CC1=CC=C(F)C=C1Br SY020962 [0,2,0,0,0,0|0,0,0]=2 1003 B12R1.233 O=C(O)CC1=CC=C(F)C=C1F SY017050 [0,2,0,0,0,0|0,0,0]=2 1004 B12R1.233 O=C(O)CC1=CC=C(O)C=C1F SY102182 [0,2,0,0,0,0|0,0,0]=2 1005 B12R1.233 O=C(O)CN1C=CC(=O)NC1=O SY151956 [0,2,0,0,0,0|2,0,0]=4 1006 B12R1.34 CC(C(=O)NN)C1=CC=CC=C1 SY263061 [0,2,0,0,0,0|1,0,0]=3 1007 B12R1.34 COC(=O)C(=O)C1=CC=CC=C1 SY014788 [0,2,0,0,0,0|0,0,1]=3 1008 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 SY113594 [0,2,0,0,0,0|0,0,0]=2 1009 B12R1.34 COC(=O)C(N)C1=CC=NC=C1 SY023726 [0,2,0,0,0,0|1,0,0]=3 1010 B12R1.34 COC(=O)C(N)C1=NC=CC=C1 SY033361 [0,2,0,0,0,0|1,0,0]=3 1011 B12R1.34 COC(=O)[C@@H](O)C1=CC=CC=C1 SY003754 [0,2,0,0,0,0|0,0,0]=2 1012 B12R1.34 COC(=O)[C@H](N)C1=CC=CC=C1 SY020988 [0,2,0,0,0,0|0,0,0]=2 1013 B12R1.34 COC(=O)[C@H](O)C1=CC=CC=C1 SY003762 [0,2,0,0,0,0|0,0,0]=2 1014 B12R1.34 NNC(=O)[C@H](O)C1=CC=CC=C1 SY017161 [0,2,0,0,0,0|1,0,0]=3 1015 B12R1.34 OCC(Br)C(Br)C1=CC=CC=C1 SY037173 [0,2,0,0,0,0|1,0,1]=4 1016 B12R1.124 CC1=CC=CC=C1C(F)C(=O)O SY263430 [0,2,0,0,0,0|0,0,0]=2 1017 B12R1.124 NC(C(=O)O)C1=C(Br)C=CC=C1 SY014220 [0,2,0,0,0,0|0,0,0]=2 1018 B12R1.124 NC(C(=O)O)C1=C(Cl)C=CC=C1 SY014107 [0,2,0,0,0,0|0,0,0]=2 1019 B12R1.124 NC(C(=O)O)C1=CC=CC=C1F SY265519 [0,2,0,0,0,0|0,0,0]=2 1020 B12R1.124 O=C(O)C(F)C1=CC=CC=C1Cl SY263429 [0,2,0,0,0,0|0,0,0]=2 1021 B12R1.124 O=C(O)C(O)C1=C(Cl)C=CC=C1 SY004557 [0,2,0,0,0,0|0,0,0]=2 1022 B12R1.124 O=C(O)[C@H](O)C1=CC=CC=C1Cl SY008252 [0,2,0,0,0,0|0,0,0]=2 1023 B12R1.225 CC(C(=O)O)C1=CC=CC(Br)=C1 SY043041 [0,2,0,0,0,0|0,0,0]=2 1024 B12R1.225 CC1=CC(C(F)C(=O)O)=CC=C1 SY263431 [0,2,0,0,0,0|0,0,0]=2 1025 B12R1.225 CC1=CC(C(N)C(=O)O)=CC=C1 SY016290 [0,2,0,0,0,0|0,0,0]=2 1026 B12R1.225 NC(C(=O)O)C1=CC=CC(Br)=C1 SY026156 [0,2,0,0,0,0|0,0,0]=2 1027 B12R1.225 NC(C(=O)O)C1=CC=CC(Cl)=C1 SY014427 [0,2,0,0,0,0|0,0,0]=2 1028 B12R1.225 NC(C(=O)O)C1=CC=CC(Cl)=C1 SY028540 [0,2,0,0,0,0|0,0,0]=2 1029 B12R1.225 NC(C(=O)O)C1=CC=CC(F)=C1 SY015758 [0,2,0,0,0,0|0,0,0]=2 1030 B12R1.225 O=C(O)C(F)C1=CC=CC(Cl)=C1 SY263428 [0,2,0,0,0,0|0,0,0]=2 1031 B12R1.225 O=C(O)[C@H](O)C1=CC=CC(Cl)=C1 SY239962 [0,2,0,0,0,0|0,0,0]=2 1032 B12R1.253 CC(C)(C(=O)O)C1=CC=CC=C1 SY001281 [0,2,0,0,0,0|0,0,0]=2 1033 B12R1.253 CC(C)(C(=O)O)C1=CC=CN=C1 SY096551 [0,2,0,0,0,0|1,0,0]=3 1034 B12R1.253 CC(N)(C(=O)O)C1=CC=CC=C1 SY039080 [0,2,0,0,0,0|0,0,0]=2 1035 B12R1.253 NC(=O)C(F)(F)C1=CC=CC=C1 SY131631 [0,2,0,0,0,0|1,0,0]=3 1036 B12R1.478 CCC(C(=O)O)C1=CC=CC=C1 SY036812 [0,2,0,0,0,0|0,0,0]=2 1037 B12R1.478 COC(C(=O)O)C1=CC=CC=C1 SY012964 [0,2,0,0,0,0|0,0,0]=2 1038 B12R1.478 CO[C@@H](C(=O)O)C1=CC=CC=C1 SY013786 [0,2,0,0,0,0|0,0,0]=2 1039 B12R1.478 CO[C@H](C(=O)O)C1=CC=CC=C1 SY021799 [0,2,0,0,0,0|0,0,0]=2 1040 B12R1.478 N#CC(C(=O)O)C1=CC=CC=C1 SY263427 [0,2,0,0,0,0|0,0,0]=2 1041 B12R1.478 NC[C@H](C(=O)O)C1=CC=CC=C1 SY126741 [0,2,0,0,0,0|0,0,0]=2 1042 B12R1.478 O=C(O)C(CO)C1=CC=CC=C1 SY009488 [0,2,0,0,0,0|0,0,0]=2 1043 B12R1.478 O=C(O)[C@H](CO)C1=CC=CC=C1 SY030594 [0,2,0,0,0,0|0,0,0]=2 1044 B12R1.564 CC(C1=CC=CC=C1)P(=O)(O)O SY284584 [0,2,0,0,0,0|1,0,0]=3 1045 B12R1.32 CCOC(=O)CC1=CC=CN=C1 SY021549 [0,2,0,0,0,0|1,0,0]=3 1046 B12R1.32 CCOC(=O)CC1=CC=NC=C1 SY011574 [0,2,0,0,0,0|1,0,0]=3 1047 B12R1.32 CCOC(=O)CC1=NC=CC=C1 SY001136 [0,2,0,0,0,0|1,0,0]=3 1048 B12R1.32 CCOC(=O)CC1=NC=CC=N1 SY007015 [0,2,0,0,0,0|2,0,0]=4 1049 B12R1.32 CCOC(=O)CC1=NC=CN=C1 SY240706 [0,2,0,0,0,0|2,0,0]=4 1050 B12R1.32 CN(CCO)CC1=CC=CC=C1 SY025492 [0,2,0,0,0,0|2,0,0]=4 1051 B12R1.32 COCC(=O)OC1=CC=CC=C1 SY261726 [0,2,0,0,0,0|1,0,0]=3 1052 B12R1.32 N#CCC(=O)NC1=CC=CC=C1 SY043058 [0,2,0,0,0,0|2,0,0]=4 1053 B12R1.50 COC(=O)CC1=CC(Br)=CC=C1 SY004524 [0,2,0,0,0,0|0,0,0]=2 1054 B12R1.50 COC(=O)CC1=CC(Br)=NC=C1 SY030795 [0,2,0,0,0,0|1,0,0]=3 1055 B12R1.50 COC(=O)CC1=CC=CC(Cl)=C1 SY053038 [0,2,0,0,0,0|0,0,0]=2 1056 B12R1.50 COC(=O)CC1=CC=CC(F)=C1 SY051263 [0,2,0,0,0,0|0,0,0]=2 1057 B12R1.50 COC(=O)CC1=CC=CC(N)=C1 SY005119 [0,2,0,0,0,0|0,0,0]=2 1058 B12R1.50 COC(=O)CC1=CC=CC(O)=C1 SY023952 [0,2,0,0,0,0|0,0,0]=2 1059 B12R1.118 CN[C@H](CO)CC1=CC=CC=C1 SY033679 [0,2,0,0,0,0|1,0,1]=4 1060 B12R1.118 N#CC(CO)CC1=CC=CC=C1 SY023620 [0,2,0,0,0,0|1,0,1]=4 1061 B12R1.118 NCC(CO)CC1=CC=CC=C1 SY002578 [0,2,0,0,0,0|1,0,1]=4 1062 B12R1.371 COC(=O)CC1=C(O)C=CC=C1 SY032006 [0,2,0,0,0,0|0,0,0]=2 1063 B12R1.371 COC(=O)CC1=CC=CC=C1Br SY023296 [0,2,0,0,0,0|0,0,0]=2 1064 B12R1.371 COC(=O)CC1=CC=CC=C1C SY106492 [0,2,0,0,0,0|0,0,0]=2 1065 B12R1.371 COC(=O)CC1=CC=CC=C1Cl SY021282 [0,2,0,0,0,0|0,0,0]=2 1066 B12R1.371 COC(=O)CC1=CC=CC=C1F SY258978 [0,2,0,0,0,0|0,0,0]=2 1067 B12R1.371 COC(=O)CC1=CC=CC=C1I SY311934 [0,2,0,0,0,0|0,0,0]=2 1068 B12R1.75 CC(=O)NC1=CC=CC=C1CO SY011672 [0,2,0,0,0,0|2,0,0]=4 1069 B12R1.75 CC(=O)OC1=CC=CC=C1CBr SY119613 [0,2,0,0,0,0|2,0,0]=4 1070 B12R1.75 CCC1=CC=CC=C1OC(=O)Cl SY296970 [0,2,0,0,0,0|2,0,0]=4 1071 B12R1.75 COC1=C(CC(=O)O)C=CC=C1 SY014484 [0,2,0,0,0,0|0,0,0]=2 1072 B12R1.75 COC1=CC=CC=C1NC(C)=O SY107302 [0,2,0,0,0,0|2,0,0]=4 1073 B12R1.75 COC1=CC=CC=C1OC(=O)Cl SY297050 [0,2,0,0,0,0|2,0,0]=4 1074 B12R1.75 CSC1=CC=CC=C1OC(=O)Cl SY296822 [0,2,0,0,0,0|2,0,0]=4 1075 B12R1.75 N#CC1=CC=CC=C1CC(=O)O SY013014 [0,2,0,0,0,0|0,0,0]=2 1076 B12R1.75 NCC1=CC=CC=C1CC(=O)O SY020261 [0,2,0,0,0,0|0,0,0]=2 1077 B12R1.75 O=C(O)CC1=CC=CC=C1CBr SY266812 [0,2,0,0,0,0|0,0,0]=2 1078 B12R1.127 CC(=O)NC1=CC(C)=CC=C1C SY036049 [0,2,0,0,0,0|2,0,0]=4 1079 B12R1.127 CC(=O)NC1=CC(C)=CC=C1O SY001813 [0,2,0,0,0,0|2,0,0]=4 1080 B12R1.127 CC(=O)NC1=CC(F)=CC=C1C SY005884 [0,2,0,0,0,0|2,0,0]=4 1081 B12R1.127 CC(=O)OC1=CC(N)=CC=C1Cl SY250781 [0,2,0,0,0,0|2,0,0]=4 1082 B12R1.127 CC1=CC(OC(=O)Cl)=C(C)C=C1 SY296809 [0,2,0,0,0,0|2,0,0]=4 1083 B12R1.127 CC1=CC=C(Br)C(OC(=O)Cl)=C1 SY296928 [0,2,0,0,0,0|2,0,0]=4 1084 B12R1.127 CC1=CC=C(Br)C=C1OC(=O)Cl SY296926 [0,2,0,0,0,0|2,0,0]=4 1085 B12R1.127 CC1=CC=C(C)C(CC(=O)O)=C1 SY020969 [0,2,0,0,0,0|0,0,0]=2 1086 B12R1.127 CC1=CC=C(Cl)C=C1OC(=O)Cl SY296919 [0,2,0,0,0,0|2,0,0]=4 1087 B12R1.127 CC1=CC=C(F)C(OC(=O)Cl)=C1 SY296850 [0,2,0,0,0,0|2,0,0]=4 1088 B12R1.127 CC1=CC=C(F)C=C1OC(=O)Cl SY296813 [0,2,0,0,0,0|2,0,0]=4 1089 B12R1.127 O=C(Cl)OC1=CC(Br)=CC=C1Br SY296849 [0,2,0,0,0,0|2,0,0]=4 1090 B12R1.127 O=C(Cl)OC1=CC(Br)=CC=C1F SY296821 [0,2,0,0,0,0|2,0,0]=4 1091 B12R1.127 O=C(Cl)OC1=CC(Cl)=CC=C1F SY296917 [0,2,0,0,0,0|2,0,0]=4 1092 B12R1.127 O=C(Cl)OC1=CC(F)=CC=C1Br SY296965 [0,2,0,0,0,0|2,0,0]=4 1093 B12R1.127 O=C(Cl)OC1=CC(F)=CC=C1Cl SY296932 [0,2,0,0,0,0|2,0,0]=4 1094 B12R1.127 O=C(Cl)OC1=CC(F)=CC=C1F SY296907 [0,2,0,0,0,0|2,0,0]=4 1095 B12R1.127 O=C(O)CC1=CC(Br)=CC=C1Br SY047633 [0,2,0,0,0,0|0,0,0]=2 1096 B12R1.127 O=C(O)CC1=CC(Br)=CC=C1F SY021838 [0,2,0,0,0,0|0,0,0]=2 1097 B12R1.127 O=C(O)CC1=CC(Cl)=CC=C1Br SY017471 [0,2,0,0,0,0|0,0,0]=2 1098 B12R1.127 O=C(O)CC1=CC(Cl)=CC=C1F SY047594 [0,2,0,0,0,0|0,0,0]=2 1099 B12R1.127 O=C(O)CC1=CC(Cl)=CC=C1O SY198913 [0,2,0,0,0,0|0,0,0]=2 1100 B12R1.127 O=C(O)CC1=CC(F)=CC=C1Br SY021839 [0,2,0,0,0,0|0,0,0]=2 1101 B12R1.127 O=C(O)CC1=CC(F)=CC=C1F SY021881 [0,2,0,0,0,0|0,0,0]=2 1102 B12R1.151 CC(C)(O)CC1=CC=CC=C1Cl SY035186 [0,2,0,0,0,0|1,0,1]=4 1103 B12R1.224 CC1=C(Cl)C=CC=C1OC(=O)Cl SY296929 [0,2,0,0,0,0|2,0,0]=4 1104 B12R1.224 CC1=C(F)C(OC(=O)Cl)=CC=C1 SY296848 [0,2,0,0,0,0|2,0,0]=4 1105 B12R1.224 CC1=C(F)C=CC=C1OC(=O)Cl SY297037 [0,2,0,0,0,0|2,0,0]=4 1106 B12R1.224 O=C(Cl)OC1=CC=CC(Cl)=C1F SY296854 [0,2,0,0,0,0|2,0,0]=4 1107 B12R1.224 O=C(Cl)OC1=CC=CC(F)=C1Br SY296967 [0,2,0,0,0,0|2,0,0]=4 1108 B12R1.224 O=C(Cl)OC1=CC=CC(F)=C1Cl SY296935 [0,2,0,0,0,0|2,0,0]=4 1109 B12R1.224 O=C(Cl)OC1=CC=CC(F)=C1F SY296961 [0,2,0,0,0,0|2,0,0]=4 1110 B12R1.224 O=C(O)CC1=C(Cl)C(Cl)=CC=C1 SY003596 [0,2,0,0,0,0|0,0,0]=2 1111 B12R1.224 O=C(O)CC1=C(F)C(F)=CC=C1 SY005482 [0,2,0,0,0,0|0,0,0]=2 1112 B12R1.224 O=C(O)CC1=CC=CC(Cl)=C1F SY035509 [0,2,0,0,0,0|0,0,0]=2 1113 B12R1.224 O=C(O)CC1=CC=CC(F)=C1Br SY032195 [0,2,0,0,0,0|0,0,0]=2 1114 B12R1.1009 CC(=O)NC1=C(C)C=CC=C1C SY061310 [0,2,0,0,0,0|2,0,0]=4 1115 B12R1.1009 CC(=O)OC1=C(C)C=CC=C1C SY294412 [0,2,0,0,0,0|2,0,0]=4 1116 B12R1.1009 CC1=C(OC(=O)Cl)C(Cl)=CC=C1 SY296921 [0,2,0,0,0,0|2,0,0]=4 1117 B12R1.1009 O=C(Cl)OC1=C(Br)C=CC=C1Br SY296837 [0,2,0,0,0,0|2,0,0]=4 1118 B12R1.1009 O=C(Cl)OC1=C(Cl)C=CC=C1Cl SY293022 [0,2,0,0,0,0|2,0,0]=4 1119 B12R1.1009 O=C(Cl)OC1=C(F)C=CC=C1Cl SY296857 [0,2,0,0,0,0|2,0,0]=4 1120 B12R1.1009 O=C(Cl)OC1=C(F)C=CC=C1F SY293021 [0,2,0,0,0,0|2,0,0]=4 1121 B12R1.1009 O=C(O)CC1=C(Cl)C=CC=C1Cl SY002771 [0,2,0,0,0,0|0,0,0]=2 1122 B12R1.1009 O=C(O)CC1=C(Cl)C=CC=C1F SY016335 [0,2,0,0,0,0|0,0,0]=2 1123 B12R1.1009 O=C(O)CC1=C(F)C=CC=C1F SY021812 [0,2,0,0,0,0|0,0,0]=2 1124 B12R1.101 CC1=CC(C)=CC(OC(=O)Cl)=C1 SY296905 [0,2,0,0,0,0|2,0,0]=4 1125 B12R1.101 CC1=CC(Cl)=CC(OC(=O)Cl)=C1 SY296856 [0,2,0,0,0,0|2,0,0]=4 1126 B12R1.101 O=C(Cl)OC1=CC(Br)=CC(Br)=C1 SY296971 [0,2,0,0,0,0|2,0,0]=4 1127 B12R1.101 O=C(Cl)OC1=CC(Cl)=CC(Br)=C1 SY296817 [0,2,0,0,0,0|2,0,0]=4 1128 B12R1.101 O=C(Cl)OC1=CC(Cl)=CC(Cl)=C1 SY296855 [0,2,0,0,0,0|2,0,0]=4 1129 B12R1.101 O=C(Cl)OC1=CC(F)=CC(Br)=C1 SY296820 [0,2,0,0,0,0|2,0,0]=4 1130 B12R1.101 O=C(Cl)OC1=CC(F)=CC(Cl)=C1 SY296934 [0,2,0,0,0,0|2,0,0]=4 1131 B12R1.101 O=C(Cl)OC1=CC(F)=CC(F)=C1 SY296819 [0,2,0,0,0,0|2,0,0]=4 1132 B12R1.101 O=C(O)CC1=CC(Br)=CC(Br)=C1 SY024104 [0,2,0,0,0,0|0,0,0]=2 1133 B12R1.101 O=C(O)CC1=CC(Br)=NC(F)=C1 SY284123 [0,2,0,0,0,0|1,0,0]=3 1134 B12R1.101 O=C(O)CC1=CC(Cl)=CC(Cl)=C1 SY021382 [0,2,0,0,0,0|0,0,0]=2 1135 B12R1.101 O=C(O)CC1=CC(F)=CC(Br)=C1 SY026874 [0,2,0,0,0,0|0,0,0]=2 1136 B12R1.101 O=C(O)CC1=CC(F)=CC(F)=C1 SY004255 [0,2,0,0,0,0|0,0,0]=2 1137 B12R1.438 CC(=O)CC1=CC(C#N)=CC=C1 SY026405 [0,2,0,0,0,0|1,0,0]=3 1138 B12R1.438 CC(=O)NC1=CC(CN)=CC=C1 SY025408 [0,2,0,0,0,0|2,0,0]=4 1139 B12R1.438 CC(=O)OC1=CC(CBr)=CC=C1 SY121402 [0,2,0,0,0,0|2,0,0]=4 1140 B12R1.438 COC1=CC(CC(=O)O)=CC=C1 SY001372 [0,2,0,0,0,0|0,0,0]=2 1141 B12R1.438 COC1=CC(NC(C)=O)=CC=C1 SY038667 [0,2,0,0,0,0|2,0,0]=4 1142 B12R1.438 COC1=CC(OC(=O)Cl)=CC=C1 SY296962 [0,2,0,0,0,0|2,0,0]=4 1143 B12R1.438 COC1=CC=CC(CC(=O)O)=N1 SY032645 [0,2,0,0,0,0|1,0,0]=3 1144 B12R1.438 COC1=NC=CC(CC(=O)O)=C1 SY119840 [0,2,0,0,0,0|1,0,0]=3 1145 B12R1.438 O=C(O)CC1=CC=CC(CBr)=C1 SY258304 [0,2,0,0,0,0|0,0,0]=2 1146 B10R1.66 O=C(O)CCC1=CC=CS1 SY005413 [0,0,1,1,0,0|1,0,1]=4 1147 B10R1.66 O=C(O)CCC1=CSC=C1 SY122984 [0,0,1,1,0,0|1,0,1]=4 1148 B10R1.66 O=C(O)CCN1C=CC=C1 SY010374 [0,0,1,1,0,0|1,0,1]=4 1149 B10R1.66 O=C(O)\C=C/C1=CC=CO1 SY056646 [0,0,1,1,0,0|1,0,1]=4 1150 B10R1.66 O=C(O)\C=C\C1=CC=CO1 SY009542 [0,0,1,1,0,0|1,0,1]=4 1151 B10R1.66 O=C(O)\C=C\C1=COC=C1 SY278590 [0,0,1,1,0,0|1,0,1]=4 1152 B10R2.6 C1=CC=C([C@@H]2CO2)C=C1 SY033347 [1,0,0,1,0,0|0,0,1]=3 1153 B10R2.6 C1=CC=C([C@H]2CO2)C=C1 SY032955 [1,0,0,1,0,0|0,0,1]=3 1154 B10R2.7 C1=CC2=C(C=C1)CNC2 SY006502 [1,0,0,1,0,0|2,0,0]=4 1155 B10R2.7 C1=CC2=C(C=C1)NCC2 SY012760 [1,0,0,1,0,0|1,0,1]=4 1156 B10R2.7 C1=CC2=C(C=C1)OCC2 SY003884 [1,0,0,1,0,0|0,0,1]=3 1157 B10R2.7 C1=CC2=C(C=N1)N=CO2 SY129985 [1,0,0,1,0,0|2,0,0]=4 1158 B10R2.7 C1=CC=C2CNCC2=C1 SY006104 [1,0,0,1,0,0|2,0,0]=4 1159 B10R2.7 C1=CC=C2CSCC2=C1 SY143431 [1,0,0,1,0,0|2,0,0]=4 1160 B10R2.7 C1=CC=C2NC=NC2=C1 SY012765 [1,0,0,1,0,0|2,0,0]=4 1161 B10R2.7 C1=CC=C2SC=CC2=C1 SY246286 [1,0,0,1,0,0|0,1,1]=4 1162 B10R2.7 C1=CC=C2[Se]C=CC2=C1 SY263659 [1,0,0,1,0,0|0,1,1]=4 1163 B10R2.7 C1=CN=C2C=COC2=C1 SY097654 [1,0,0,1,0,0|1,0,1]=4 1164 B10R2.7 C1=CN=C2CCOC2=C1 SY285018 [1,0,0,1,0,0|1,0,1]=4 1165 B10R2.7 C1=CN=C2N=COC2=C1 SY018742 [1,0,0,1,0,0|2,0,0]=4 1166 B10R2.7 C1=CN=C2OC=NC2=C1 SY018739 [1,0,0,1,0,0|2,0,0]=4 1167 B10R2.320 O=C1CC2=CC=CC=C12 SY031738 [1,0,0,1,0,0|0,0,0]=2 1168 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 SY029843 [0,0,0,1,0,1|1,0,0]=3 1169 B12R2.24 O=C1CC2=C(C=CC=C2)CO1 SY036247 [0,0,0,1,0,1|1,0,0]=3 1170 B12R2.24 O=C1CCC2=CC=NC=C2N1 SY249512 [0,0,0,1,0,1|2,0,0]=4 1171 B12R2.24 O=C1CNC2=C(C=CC=C2)C1 SY292612 [0,0,0,1,0,1|1,0,0]=3 1172 B12R2.24 O=C1CNC2=C(C=CC=C2)N1 SY018411 [0,0,0,1,0,1|1,0,0]=3 1173 B12R2.24 O=C1CNC2=CC=CC=C2O1 SY292600 [0,0,0,1,0,1|0,0,0]=2 1174 B12R2.24 O=C1COC2=C(C=CC=C2)N1 SY007578 [0,0,0,1,0,1|1,0,0]=3 1175 B12R2.24 O=C1COC2=C(C=NC=C2)N1 SY130715 [0,0,0,1,0,1|2,0,0]=4 1176 B12R2.24 O=C1COC2=C(N=CC=C2)N1 SY007983 [0,0,0,1,0,1|2,0,0]=4 1177 B12R2.24 O=C1CSC2=C(C=CC=C2)C1 SY033162 [0,0,0,1,0,1|1,0,0]=3 1178 B12R2.24 O=C1NC2=C(C=CN=C2)CO1 SY129221 [0,0,0,1,0,1|2,0,0]=4 1179 B12R2.24 O=C1NC2=C(C=NC=C2)CO1 SY129222 [0,0,0,1,0,1|2,0,0]=4 1180 B12R2.24 O=C1NC2=CC=CC=C2CO1 SY129148 [0,0,0,1,0,1|1,0,0]=3 1181 B12R2.24 O=C1NC2=NC=CC=C2CO1 SY129220 [0,0,0,1,0,1|2,0,0]=4 1182 B12R2.24 OC1=CC2=C(C=CC=C2)N=C1 SY009024 [0,0,0,1,0,1|1,0,1]=4 1183 B12R2.24 OC1=CC2=CC=CC=C2C=N1 SY005563 [0,0,0,1,0,1|1,0,1]=4 1184 B12R2.24 OC1=NC2=C(C=CC=C2)C=C1 SY003693 [0,0,0,1,0,1|1,0,1]=4 1185 B12R2.24 OC1=NC2=C(C=CC=C2)N=C1 SY013680 [0,0,0,1,0,1|1,0,1]=4 1186 B12R2.24 OC1CC2=C(C=CC=C2)CO1 SY293993 [0,0,0,1,0,1|1,0,1]=4 1187 B12R2.24 OC1CCC2=C(C=CC=C2)C1 SY056861 [0,0,0,1,0,1|1,0,1]=4 1188 B12R2.2057 C1=CC=C(OCC2CO2)C=C1 SY246293 [0,0,0,1,0,1|1,0,1]=4 1189 B12R2.2403 CC1(O)COC2=CC=CC=C21 SY308287 [0,0,0,1,0,1|1,0,1]=4 1190 B12R2.3190 O=C(O)C1CC2=CC=CC=C21 SY185508 [0,0,0,1,0,1|0,0,0]=2 1191 B12R2.606 CC1=CC2=C(C=C1)CC(=O)N2 SY020777 [0,1,0,1,0,0|1,0,0]=3 1192 B12R2.606 CC1=CC2=C(C=C1)OC(C)=N2 SY018752 [0,1,0,1,0,0|2,0,0]=4 1193 B12R2.606 CC1=CC2=CC(N)=CC=C2O1 SY045624 [0,1,0,1,0,0|1,0,1]=4 1194 B12R2.606 CC1=CC=C2N=C(C)OC2=C1 SY130000 [0,1,0,1,0,0|2,0,0]=4 1195 B12R2.606 CC1=CC=C2N=C(Cl)OC2=C1 SY130045 [0,1,0,1,0,0|2,0,0]=4 1196 B12R2.606 CC1=CC=C2N=C(N)OC2=C1 SY084800 [0,1,0,1,0,0|2,0,0]=4 1197 B12R2.606 CC1=CC=C2NC(=O)NC2=C1 SY045908 [0,1,0,1,0,0|2,0,0]=4 1198 B12R2.606 CC1=CC=C2NC(=O)OC2=C1 SY081557 [0,1,0,1,0,0|1,0,0]=3 1199 B12R2.606 CC1=CC=C2NC(=S)OC2=C1 SY130029 [0,1,0,1,0,0|1,1,0]=4 1200 B12R2.606 CC1=NC2=C(C=CC(Br)=C2)O1 SY018737 [0,1,0,1,0,0|2,0,0]=4 1201 B12R2.606 CC1=NC2=CC(F)=CC=C2O1 SY018734 [0,1,0,1,0,0|2,0,0]=4 1202 B12R2.606 CC1=NC2=CC(N)=CC=C2O1 SY064769 [0,1,0,1,0,0|2,0,0]=4 1203 B12R2.606 CC1=NC2=CC(O)=CC=C2O1 SY102193 [0,1,0,1,0,0|2,0,0]=4 1204 B12R2.606 CC1=NC2=CC=C(Cl)C=C2O1 SY018758 [0,1,0,1,0,0|2,0,0]=4 1205 B12R2.606 CC1=NC2=CC=C(F)C=C2O1 SY129999 [0,1,0,1,0,0|2,0,0]=4 1206 B12R2.606 ClC1=CC2=C(C=C1)N=C(Cl)O2 SY005172 [0,1,0,1,0,0|2,0,0]=4 1207 B12R2.606 ClC1=NC2=CC(Br)=CC=C2O1 SY029225 [0,1,0,1,0,0|2,0,0]=4 1208 B12R2.606 ClC1=NC2=CC=C(Br)C=C2O1 SY029221 [0,1,0,1,0,0|2,0,0]=4 1209 B12R2.606 FC1=CC=C2N=C(Cl)OC2=C1 SY112662 [0,1,0,1,0,0|2,0,0]=4 1210 B12R2.606 FC1=CC=C2NC(=S)OC2=C1 SY130031 [0,1,0,1,0,0|1,1,0]=4 1211 B12R2.606 FC1=CC=C2OC(=S)NC2=C1 SY067559 [0,1,0,1,0,0|1,1,0]=4 1212 B12R2.606 FC1=CC=C2OC(Cl)=NC2=C1 SY130047 [0,1,0,1,0,0|2,0,0]=4 1213 B12R2.606 NC1=CC2=C(C=C1)CC(=O)N2 SY030708 [0,1,0,1,0,0|1,0,0]=3 1214 B12R2.606 NC1=CC2=C(C=C1)NC(=O)C2 SY031781 [0,1,0,1,0,0|1,0,0]=3 1215 B12R2.606 NC1=CC=C2N=C(N)OC2=C1 SY130064 [0,1,0,1,0,0|2,0,0]=4 1216 B12R2.606 NC1=CC=C2NC(=O)NC2=C1 SY007179 [0,1,0,1,0,0|2,0,0]=4 1217 B12R2.606 NC1=CC=C2NC(=O)OC2=C1 SY031786 [0,1,0,1,0,0|1,0,0]=3 1218 B12R2.606 NC1=CC=C2NC(=O)SC2=C1 SY031792 [0,1,0,1,0,0|1,1,0]=4 1219 B12R2.606 NC1=CC=C2NC(=S)OC2=C1 SY130021 [0,1,0,1,0,0|1,1,0]=4 1220 B12R2.606 NC1=CC=C2OC(=O)NC2=C1 SY043261 [0,1,0,1,0,0|1,0,0]=3 1221 B12R2.606 NC1=CC=C2OC(N)=NC2=C1 SY130062 [0,1,0,1,0,0|2,0,0]=4 1222 B12R2.606 NC1=CC=C2OC(S)=NC2=C1 SY130025 [0,1,0,1,0,0|1,1,0]=4 1223 B12R2.606 NC1=NC2=C(C=C(Cl)C=C2)O1 SY005591 [0,1,0,1,0,0|2,0,0]=4 1224 B12R2.606 NC1=NC2=CC(Br)=CC=C2O1 SY013293 [0,1,0,1,0,0|2,0,0]=4 1225 B12R2.606 NC1=NC2=CC(F)=CC=C2O1 SY130059 [0,1,0,1,0,0|2,0,0]=4 1226 B12R2.606 NC1=NC2=CC=C(Br)C=C2O1 SY017659 [0,1,0,1,0,0|2,0,0]=4 1227 B12R2.606 NC1=NC2=CC=C(F)C=C2O1 SY086886 [0,1,0,1,0,0|2,0,0]=4 1228 B12R2.606 O=C1CC2=C(C=C(Br)C=C2)C1 SY040582 [0,1,0,1,0,0|1,0,0]=3 1229 B12R2.606 O=C1CC2=C(C=C(Cl)C=C2)N1 SY002545 [0,1,0,1,0,0|1,0,0]=3 1230 B12R2.606 O=C1CC2=C(C=C(Cl)N=C2)N1 SY031690 [0,1,0,1,0,0|2,0,0]=4 1231 B12R2.606 O=C1CC2=C(C=C(F)C=C2)N1 SY028412 [0,1,0,1,0,0|1,0,0]=3 1232 B12R2.606 O=C1CC2=C(C=C(O)C=C2)N1 SY023129 [0,1,0,1,0,0|1,0,0]=3 1233 B12R2.606 O=C1CC2=C(C=CC(Br)=C2)N1 SY008441 [0,1,0,1,0,0|1,0,0]=3 1234 B12R2.606 O=C1CC2=C(C=CC(F)=C2)N1 SY002547 [0,1,0,1,0,0|1,0,0]=3 1235 B12R2.606 O=C1CC2=C(C=CC(I)=C2)N1 SY004828 [0,1,0,1,0,0|1,0,0]=3 1236 B12R2.606 O=C1CC2=C(N=CC(Br)=C2)N1 SY005427 [0,1,0,1,0,0|2,0,0]=4 1237 B12R2.606 O=C1CC2=CC(Cl)=CC=C2O1 SY285548 [0,1,0,1,0,0|0,0,0]=2 1238 B12R2.606 O=C1CC2=CC=C(Br)C=C2N1 SY004439 [0,1,0,1,0,0|1,0,0]=3 1239 B12R2.606 O=C1CC2=CC=C(Cl)N=C2N1 SY031668 [0,1,0,1,0,0|2,0,0]=4 1240 B12R2.606 O=C1CC2=NC=C(Cl)C=C2N1 SY033632 [0,1,0,1,0,0|2,0,0]=4 1241 B12R2.606 O=C1NC2=CC(Br)=CC=C2O1 SY038495 [0,1,0,1,0,0|1,0,0]=3 1242 B12R2.606 O=C1NC2=CC(Br)=CN=C2O1 SY059599 [0,1,0,1,0,0|2,0,0]=4 1243 B12R2.606 O=C1NC2=CC(Cl)=CN=C2O1 SY130169 [0,1,0,1,0,0|2,0,0]=4 1244 B12R2.606 O=C1NC2=CC(F)=CC=C2O1 SY101449 [0,1,0,1,0,0|1,0,0]=3 1245 B12R2.606 O=C1NC2=CC(I)=CC=C2O1 SY268394 [0,1,0,1,0,0|1,0,0]=3 1246 B12R2.606 O=C1NC2=CC=C(Br)C=C2N1 SY004487 [0,1,0,1,0,0|2,0,0]=4 1247 B12R2.606 O=C1NC2=CC=C(Br)C=C2O1 SY038492 [0,1,0,1,0,0|1,0,0]=3 1248 B12R2.606 O=C1NC2=CC=C(Br)C=C2S1 SY026443 [0,1,0,1,0,0|1,1,0]=4 1249 B12R2.606 O=C1NC2=CC=C(F)C=C2N1 SY039596 [0,1,0,1,0,0|2,0,0]=4 1250 B12R2.606 O=C1NC2=CC=C(O)C=C2S1 SY261696 [0,1,0,1,0,0|1,1,0]=4 1251 B12R2.606 O=C1NC2=NC(Br)=CC=C2O1 SY059597 [0,1,0,1,0,0|2,0,0]=4 1252 B12R2.606 O=C1NC2=NC=C(Br)C=C2O1 SY007993 [0,1,0,1,0,0|2,0,0]=4 1253 B12R2.606 O=C1NC2=NC=C(Cl)C=C2O1 SY028333 [0,1,0,1,0,0|2,0,0]=4 1254 B12R2.606 OC1CC2=C(C=C(Br)C=C2)C1 SY101935 [0,1,0,1,0,0|1,0,1]=4 1255 B12R2.606 S=C1NC2=CC(Br)=CC=C2O1 SY113276 [0,1,0,1,0,0|1,1,0]=4 1256 B12R2.606 SC1=NC2=CC=C(Br)C=C2O1 SY047815 [0,1,0,1,0,0|1,1,0]=4 1257 B12R2.18 CC1CC2=C(C=CC=C2)C1=O SY081370 [0,1,0,1,0,0|1,0,1]=4 1258 B12R2.18 CN1C(=O)CC2=C1C=CC=C2 SY042826 [0,1,0,1,0,0|1,0,0]=3 1259 B12R2.18 CN1C(=O)NC2=CC=CC=C21 SY045893 [0,1,0,1,0,0|2,0,0]=4 1260 B12R2.18 NC1C2=CC=CC=C2CC1O SY003676 [0,1,0,1,0,0|1,0,1]=4 1261 B12R2.18 N[C@@H]1C2=C(C=CC=C2)C[C@@H]1O SY007785 [0,1,0,1,0,0|1,0,1]=4 1262 B12R2.18 N[C@@H]1C2=C(C=CC=C2)C[C@H]1O SY007747 [0,1,0,1,0,0|1,0,1]=4 1263 B12R2.18 N[C@H]1C2=C(C=CC=C2)C[C@@H]1O SY007896 [0,1,0,1,0,0|1,0,1]=4 1264 B12R2.18 N[C@H]1C2=C(C=CC=C2)C[C@H]1O SY009651 [0,1,0,1,0,0|1,0,1]=4 1265 B12R2.18 N[C@H]1C2=C(C=CC=C2)C[C@H]1O SY279293 [0,1,0,1,0,0|1,0,1]=4 1266 B12R2.18 O=C1CC2=C(C=CC=C2)C1=O SY016747 [0,1,0,1,0,0|0,0,1]=3 1267 B12R2.18 O=C1NC2=CC=CC=C2C1=O SY005277 [0,1,0,1,0,0|1,0,1]=4 1268 B12R2.18 O=C1OC2=CC=CC=C2C1=O SY023499 [0,1,0,1,0,0|0,0,1]=3 1269 B12R2.18 O[C@@H]1C2=C(C=CC=C2)C[C@H]1Br SY015553 [0,1,0,1,0,0|1,0,1]=4 1270 B12R2.32 BrCC1=CC2=CC=CC=C2O1 SY045637 [0,1,0,1,0,0|1,0,1]=4 1271 B12R2.32 CCC1=CC2=CC=CC=C2O1 SY067362 [0,1,0,1,0,0|1,0,1]=4 1272 B12R2.32 ClCC1=CC2=CC=CC=C2O1 SY045662 [0,1,0,1,0,0|1,0,1]=4 1273 B12R2.32 NCC1=CC2=CC=CC=C2O1 SY026572 [0,1,0,1,0,0|1,0,1]=4 1274 B12R2.32 NCC1=NC2=CC=CC=C2O1 SY026571 [0,1,0,1,0,0|2,0,0]=4 1275 B12R2.32 O=CC1=CC2=C(C=CC=C2)N1 SY042244 [0,1,0,1,0,0|1,0,1]=4 1276 B12R2.32 O=CC1=CC2=CC=CC=C2O1 SY013762 [0,1,0,1,0,0|0,0,1]=3 1277 B12R2.32 O=CC1=CC2=CC=CC=C2S1 SY019968 [0,1,0,1,0,0|0,1,1]=4 1278 B12R2.32 O=CC1=NC2=CC=CC=C2N1 SY025423 [0,1,0,1,0,0|2,0,0]=4 1279 B12R2.32 O=CC1=NC2=CC=CC=C2O1 SY206427 [0,1,0,1,0,0|1,0,0]=3 1280 B12R2.32 O=CC1=NC2=CC=CC=C2S1 SY059450 [0,1,0,1,0,0|1,1,0]=4 1281 B12R2.32 OCC1=CC2=C(C=CC=C2)N1 SY045599 [0,1,0,1,0,0|1,0,1]=4 1282 B12R2.32 OCC1=CC2=CC=CC=C2O1 SY122875 [0,1,0,1,0,0|0,0,2]=4 1283 B12R2.32 OCC1=CC2=CC=CC=C2S1 SY021579 [0,1,0,1,0,0|0,1,1]=4 1284 B12R2.32 OCC1=NC2=CC=CC=C2N1 SY003368 [0,1,0,1,0,0|2,0,0]=4 1285 B12R2.32 OCC1=NC2=CC=CC=C2S1 SY096627 [0,1,0,1,0,0|1,1,0]=4 1286 B12R2.32 OCC1CC2=CC=CC=C2O1 SY045474 [0,1,0,1,0,0|0,0,2]=4 1287 B12R2.32 OC[C@@H]1CC2=C(C=CC=C2)N1 SY038508 [0,1,0,1,0,0|1,0,1]=4 1288 B12R2.202 CC1=C2N=C(Cl)OC2=CC=C1 SY130043 [0,1,0,1,0,0|2,0,0]=4 1289 B12R2.202 CC1=C2N=C(N)OC2=CC=C1 SY130057 [0,1,0,1,0,0|2,0,0]=4 1290 B12R2.202 CC1=C2NC(=O)OC2=CC=C1 SY130158 [0,1,0,1,0,0|1,0,0]=3 1291 B12R2.202 CC1=C2NC(=S)OC2=CC=C1 SY086235 [0,1,0,1,0,0|1,1,0]=4 1292 B12R2.202 CC1=CC2=C(C1)C(Br)=CC=C2 SY035152 [0,1,0,1,0,0|2,0,0]=4 1293 B12R2.202 CC1=CC2=CC=CC(Br)=C2O1 SY045664 [0,1,0,1,0,0|1,0,1]=4 1294 B12R2.202 CC1=CC=CC2=C1CC(=O)N2 SY009386 [0,1,0,1,0,0|1,0,0]=3 1295 B12R2.202 CC1=CC=CC2=C1NC(=O)C2 SY084752 [0,1,0,1,0,0|1,0,0]=3 1296 B12R2.202 CC1=NC2=C(C)C=CC=C2O1 SY018726 [0,1,0,1,0,0|2,0,0]=4 1297 B12R2.202 CC1=NC2=C(F)C=CC=C2O1 SY130014 [0,1,0,1,0,0|2,0,0]=4 1298 B12R2.202 CC1=NC2=C(N)C=CC=C2O1 SY064932 [0,1,0,1,0,0|2,0,0]=4 1299 B12R2.202 CC1=NC2=CC=CC(Br)=C2O1 SY018761 [0,1,0,1,0,0|2,0,0]=4 1300 B12R2.202 CC1=NC2=CC=CC(Cl)=C2O1 SY130010 [0,1,0,1,0,0|2,0,0]=4 1301 B12R2.202 CC1=NC2=CC=CC(F)=C2O1 SY130006 [0,1,0,1,0,0|2,0,0]=4 1302 B12R2.202 CC1=NC2=CC=CC(O)=C2O1 SY274444 [0,1,0,1,0,0|2,0,0]=4 1303 B12R2.202 ClC1=NC2=CC=CC(Br)=C2O1 SY130050 [0,1,0,1,0,0|2,0,0]=4 1304 B12R2.202 ClC1=NC2=CC=CC(Cl)=C2O1 SY130052 [0,1,0,1,0,0|2,0,0]=4 1305 B12R2.202 FC1=C2N=C(Cl)OC2=CC=C1 SY130055 [0,1,0,1,0,0|2,0,0]=4 1306 B12R2.202 FC1=C2NC(=S)OC2=CC=C1 SY130039 [0,1,0,1,0,0|1,1,0]=4 1307 B12R2.202 FC1=C2OC(=S)NC2=CC=C1 SY130032 [0,1,0,1,0,0|1,1,0]=4 1308 B12R2.202 FC1=C2OC(Cl)=NC2=CC=C1 SY130048 [0,1,0,1,0,0|2,0,0]=4 1309 B12R2.202 NC1=C2NC(=O)OC2=CC=C1 SY130163 [0,1,0,1,0,0|1,0,0]=3 1310 B12R2.202 NC1=C2NC(=S)OC2=CC=C1 SY130027 [0,1,0,1,0,0|1,1,0]=4 1311 B12R2.202 NC1=C2OC(=O)NC2=CC=C1 SY055244 [0,1,0,1,0,0|1,0,0]=3 1312 B12R2.202 NC1=CC=CC2=C1NC(=O)C2 SY248415 [0,1,0,1,0,0|1,0,0]=3 1313 B12R2.202 NC1=NC2=C(F)C=CC=C2O1 SY130080 [0,1,0,1,0,0|2,0,0]=4 1314 B12R2.202 NC1=NC2=C(N)C=CC=C2O1 SY130066 [0,1,0,1,0,0|2,0,0]=4 1315 B12R2.202 NC1=NC2=CC=CC(Br)=C2O1 SY116064 [0,1,0,1,0,0|2,0,0]=4 1316 B12R2.202 NC1=NC2=CC=CC(Cl)=C2O1 SY130060 [0,1,0,1,0,0|2,0,0]=4 1317 B12R2.202 NC1=NC2=CC=CC(F)=C2O1 SY130068 [0,1,0,1,0,0|2,0,0]=4 1318 B12R2.202 O=C1CC2=C(Br)C=CN=C2N1 SY033197 [0,1,0,1,0,0|2,0,0]=4 1319 B12R2.202 O=C1CC2=C(C1)C(Br)=CC=C2 SY022357 [0,1,0,1,0,0|1,0,0]=3 1320 B12R2.202 O=C1CC2=C(C=CC=C2Br)N1 SY003107 [0,1,0,1,0,0|1,0,0]=3 1321 B12R2.202 O=C1CC2=C(C=CC=C2Cl)N1 SY009372 [0,1,0,1,0,0|1,0,0]=3 1322 B12R2.202 O=C1CC2=C(C=CC=C2F)N1 SY105094 [0,1,0,1,0,0|1,0,0]=3 1323 B12R2.202 O=C1CC2=C(C=CC=C2I)N1 SY224083 [0,1,0,1,0,0|1,0,0]=3 1324 B12R2.202 O=C1CC2=C(C=CC=C2O)N1 SY036030 [0,1,0,1,0,0|1,0,0]=3 1325 B12R2.202 O=C1CC2=C(N1)C(Br)=CC=C2 SY029304 [0,1,0,1,0,0|1,0,0]=3 1326 B12R2.202 O=C1CC2=C(N1)C(F)=CC=C2 SY029301 [0,1,0,1,0,0|1,0,0]=3 1327 B12R2.202 O=C1CC2=C(N=CC=C2Cl)N1 SY008984 [0,1,0,1,0,0|2,0,0]=4 1328 B12R2.202 O=C1NC2=C(F)C=CC=C2O1 SY130173 [0,1,0,1,0,0|1,0,0]=3 1329 B12R2.202 O=C1NC2=CC=CC(Br)=C2O1 SY077887 [0,1,0,1,0,0|1,0,0]=3 1330 B12R2.202 O=C1NC2=CC=CC(Cl)=C2O1 SY130170 [0,1,0,1,0,0|1,0,0]=3 1331 B12R2.202 O=C1NC2=CC=CC(F)=C2O1 SY130165 [0,1,0,1,0,0|1,0,0]=3 1332 B12R2.202 OC1=CC=CC2=C1NC(=S)O2 SY008400 [0,1,0,1,0,0|1,1,0]=4 1333 B12R2.202 OC1=NC2=C(I)C=CC=C2N1 SY302310 [0,1,0,1,0,0|2,0,0]=4 1334 B12R2.202 OC1CC2=CC=CC(Br)=C2C1 SY022355 [0,1,0,1,0,0|1,0,1]=4 1335 B12R2.202 S=C1NC2=CC=CC(Br)=C2O1 SY130035 [0,1,0,1,0,0|1,1,0]=4 1336 B12R2.202 S=C1NC2=CC=CC(Cl)=C2O1 SY058054 [0,1,0,1,0,0|1,1,0]=4 1337 B12R3.12 C1=CC2=C(C=C1)C3OC3C2 SY272668 [0,0,0,2,0,0|1,0,1]=4 1338 B8R1.8 OCCC1=CSC=C1 SY003714 [1,0,0,0,1,0|1,0,1]=4 1339 B8R1.7 CC(=O)C1=CC=CN1 SY011279 [0,0,0,0,2,0|2,0,0]=4 1340 B8R1.7 CC(=O)C1=CSC=C1 SY009376 [0,0,0,0,2,0|2,0,0]=4 1341 B8R1.7 O=C(O)C1=CC=CN1 SY014890 [0,0,0,0,2,0|1,0,0]=3 1342 B8R1.7 O=C(O)C1=CC=CS1 SY001476 [0,0,0,0,2,0|1,0,0]=3 1343 B8R1.7 O=C(O)C1=CC=NO1 SY018290 [0,0,0,0,2,0|2,0,0]=4 1344 B8R1.7 O=C(O)C1=CC=NS1 SY029089 [0,0,0,0,2,0|2,0,0]=4 1345 B8R1.7 O=C(O)C1=CN=CO1 SY026644 [0,0,0,0,2,0|2,0,0]=4 1346 B8R1.7 O=C(O)C1=CN=CS1 SY006027 [0,0,0,0,2,0|2,0,0]=4 1347 B8R1.7 O=C(O)C1=CNC=C1 SY004601 [0,0,0,0,2,0|1,0,0]=3 1348 B8R1.7 O=C(O)C1=CNC=N1 SY001178 [0,0,0,0,2,0|2,0,0]=4 1349 B8R1.7 O=C(O)C1=CNN=C1 SY018302 [0,0,0,0,2,0|2,0,0]=4 1350 B8R1.7 O=C(O)C1=COC=C1 SY003999 [0,0,0,0,2,0|1,0,0]=3 1351 B8R1.7 O=C(O)C1=COC=N1 SY003724 [0,0,0,0,2,0|2,0,0]=4 1352 B8R1.7 O=C(O)C1=CON=C1 SY029017 [0,0,0,0,2,0|2,0,0]=4 1353 B8R1.7 O=C(O)C1=CSC=C1 SY001582 [0,0,0,0,2,0|1,0,0]=3 1354 B8R1.7 O=C(O)C1=CSC=N1 SY015498 [0,0,0,0,2,0|2,0,0]=4 1355 B8R1.7 O=C(O)C1=CSN=C1 SY022883 [0,0,0,0,2,0|2,0,0]=4 1356 B8R1.7 O=C(O)C1=NC=CN1 SY007870 [0,0,0,0,2,0|2,0,0]=4 1357 B8R1.7 O=C(O)C1=NNC=C1 SY002921 [0,0,0,0,2,0|2,0,0]=4 1358 B8R1.7 O=C(O)C1=NOC=C1 SY031545 [0,0,0,0,2,0|2,0,0]=4 1359 B8R1.7 O=C(O)C1=NSC=C1 SY059468 [0,0,0,0,2,0|2,0,0]=4 1360 B12R1.252 CC(=O)COCC1=CC=CC=C1 SY107427 [0,0,0,0,0,2|1,0,0]=3 1361 B12R1.252 CC(O)COCC1=CC=CC=C1 SY115719 [0,0,0,0,0,2|1,0,1]=4 1362 B12R1.252 C[C@@H](O)CNCC1=CC=CC=C1 SY046157 [0,0,0,0,0,2|1,0,1]=4 1363 B12R1.252 C[C@@H](O)COCC1=CC=CC=C1 SY226247 [0,0,0,0,0,2|1,0,1]=4 1364 B12R1.252 C[C@H](O)COCC1=CC=CC=C1 SY059957 [0,0,0,0,0,2|1,0,1]=4 1365 B12R1.252 O=C(O)CCCC1=CC=CC=C1 SY004771 [0,0,0,0,0,2|0,0,0]=2 1366 B12R1.252 O=C(O)CCCC1=NC=CC=C1 SY110052 [0,0,0,0,0,2|1,0,0]=3 1367 B12R1.252 O=C(O)CCNC1=CC=CC=C1 SY019790 [0,0,0,0,0,2|0,0,0]=2 1368 B12R1.252 O=C(O)CNCC1=CC=CC=C1 SY003481 [0,0,0,0,0,2|0,0,0]=2 1369 B12R1.252 O=C(O)CNCC1=CC=CC=C1 SY015802 [0,0,0,0,0,2|0,0,0]=2 1370 B12R1.252 O=C(O)COCC1=CC=CC=C1 SY002087 [0,0,0,0,0,2|0,0,0]=2 1371 B12R1.252 O=C(O)C\C=C\C1=CC=CC=C1 SY083558 [0,0,0,0,0,2|0,0,0]=2 1372 B12R1.252 O=C([O-])CCCC1=CC=CC=C1 SY067225 [0,0,0,0,0,2|0,0,1]=3 1373 B12R1.252 O=[N+]([O-])CCCC1=CC=CC=C1 SY266519 [0,0,0,0,0,2|1,0,1]=4