0 B11R1.41 CCOC1=CC=CC=C1C#N SY017064 [0,0,0,0,0,0|4,0,0]=4 1 B11R1.41 CNCC1=CC=CC=C1CO SY021761 [0,0,0,0,0,0|4,0,0]=4 2 B11R1.41 CNCC1=CC=CC=C1OC SY107300 [0,0,0,0,0,0|2,0,0]=2 3 B11R1.41 COC1=C(OCCl)C=CC=C1 SY298549 [0,0,0,0,0,0|2,0,0]=2 4 B11R1.41 COC1=CC=CC=C1CC=O SY022663 [0,0,0,0,0,0|1,0,1]=2 5 B11R1.41 COC1=CC=CC=C1CCO SY023218 [0,0,0,0,0,0|1,0,0]=1 6 B11R1.41 COC1=CC=CC=C1N=C=O SY048800 [0,0,0,0,0,0|2,0,1]=3 7 B11R1.41 COC1=NC=CC=C1CON SY281633 [0,0,0,0,0,0|2,0,0]=2 8 B11R1.41 COC1=NC=CC=C1CON SY281634 [0,0,0,0,0,0|2,0,0]=2 9 B11R1.41 N#CCC1=CC=CC=C1C#N SY019041 [0,0,0,0,0,0|2,0,2]=4 10 B10R1.4 CC1=CC=CC=C1CCO SY036944 [1,0,0,0,0,0|1,0,0]=2 11 B10R1.4 CC1=CC=CC=C1OCCl SY298330 [1,0,0,0,0,0|2,0,0]=3 12 B10R1.4 CCOC1=C(Br)C=CC=C1 SY018463 [1,0,0,0,0,0|3,0,0]=4 13 B10R1.4 CCOC1=C(C)C=CN=C1 SY129406 [1,0,0,0,0,0|3,0,0]=4 14 B10R1.4 CNCC1=C(Br)C=CC=C1 SY005450 [1,0,0,0,0,0|3,0,0]=4 15 B10R1.4 CNCC1=CC=CC=C1C SY021461 [1,0,0,0,0,0|2,0,0]=3 16 B10R1.4 CNCC1=CC=CC=C1Cl SY023323 [1,0,0,0,0,0|3,0,0]=4 17 B10R1.4 CNCC1=CC=CC=C1F SY005451 [1,0,0,0,0,0|3,0,0]=4 18 B10R1.4 CNCC1=CC=CN=C1C SY031590 [1,0,0,0,0,0|3,0,0]=4 19 B10R1.4 COCC1=CC=CC=C1O SY026429 [1,0,0,0,0,0|2,0,0]=3 20 B10R1.4 ClC1=C(CCBr)C=CC=C1 SY004845 [1,0,0,0,0,0|2,0,0]=3 21 B10R1.4 ClCOC1=C(I)C=CC=C1 SY298441 [1,0,0,0,0,0|3,0,0]=4 22 B10R1.4 ClCOC1=CC=CC=C1Br SY298326 [1,0,0,0,0,0|3,0,0]=4 23 B10R1.4 ClCOC1=CC=CC=C1Cl SY298558 [1,0,0,0,0,0|3,0,0]=4 24 B10R1.4 FC1=CC=CC=C1CCCl SY035952 [1,0,0,0,0,0|2,0,0]=3 25 B10R1.4 N#CCC1=C(N)C=CC=C1 SY011031 [1,0,0,0,0,0|1,0,2]=4 26 B10R1.4 N#CCC1=CC=CC=C1I SY101179 [1,0,0,0,0,0|1,0,2]=4 27 B10R1.4 N#CCC1=CC=CC=C1O SY012295 [1,0,0,0,0,0|0,0,2]=3 28 B10R1.4 NCCC1=CC=CC=C1N SY104426 [1,0,0,0,0,0|1,0,0]=2 29 B10R1.4 NCCC1=CC=CC=C1O SY040467 [1,0,0,0,0,0|0,0,0]=1 30 B10R1.4 NNCC1=CC=CC=C1Br SY048078 [1,0,0,0,0,0|2,0,0]=3 31 B10R1.4 NNCC1=CC=CC=C1Cl SY040715 [1,0,0,0,0,0|2,0,0]=3 32 B10R1.4 NNCC1=CC=CC=C1F SY033589 [1,0,0,0,0,0|2,0,0]=3 33 B10R1.4 NOCC1=C(Br)C=NC=C1 SY281604 [1,0,0,0,0,0|3,0,0]=4 34 B10R1.4 NOCC1=C(Br)C=NC=C1 SY281605 [1,0,0,0,0,0|3,0,0]=4 35 B10R1.4 NOCC1=C(F)C=NC=C1 SY281606 [1,0,0,0,0,0|3,0,0]=4 36 B10R1.4 NOCC1=C(F)C=NC=C1 SY281607 [1,0,0,0,0,0|3,0,0]=4 37 B10R1.4 NOCC1=CC=CC=C1Br SY281558 [1,0,0,0,0,0|2,0,0]=3 38 B10R1.4 NOCC1=CC=CC=C1Br SY281559 [1,0,0,0,0,0|2,0,0]=3 39 B10R1.4 NOCC1=CC=CC=C1Cl SY281561 [1,0,0,0,0,0|2,0,0]=3 40 B10R1.4 NOCC1=CC=CC=C1F SY047853 [1,0,0,0,0,0|2,0,0]=3 41 B10R1.4 NOCC1=CC=CC=C1F SY281571 [1,0,0,0,0,0|2,0,0]=3 42 B10R1.4 NOCC1=CC=CC=C1I SY281752 [1,0,0,0,0,0|2,0,0]=3 43 B10R1.4 NOCC1=NC=CC=C1F SY281659 [1,0,0,0,0,0|3,0,0]=4 44 B10R1.4 NOCC1=NC=CC=C1F SY281660 [1,0,0,0,0,0|3,0,0]=4 45 B10R1.4 OCCC1=C(Br)C=CC=C1 SY011299 [1,0,0,0,0,0|2,0,0]=3 46 B10R1.4 OCCC1=C(Cl)C=CC=C1 SY005018 [1,0,0,0,0,0|2,0,0]=3 47 B10R1.4 OCCC1=CC=CC=C1F SY021828 [1,0,0,0,0,0|2,0,0]=3 48 B10R1.4 OCCC1=CC=CC=C1I SY096684 [1,0,0,0,0,0|2,0,0]=3 49 B10R1.4 OCCC1=CC=CC=C1O SY066615 [1,0,0,0,0,0|1,0,0]=2 50 B10R1.20 C#CC1=CC=CC=C1OC SY036898 [1,0,0,0,0,0|0,0,2]=3 51 B10R1.20 CCC1=CC=CC=C1C=O SY066602 [1,0,0,0,0,0|2,0,0]=3 52 B10R1.20 CCC1=CC=CC=C1ON SY282222 [1,0,0,0,0,0|1,0,0]=2 53 B10R1.20 CCC1=CC=CC=C1ON SY282223 [1,0,0,0,0,0|1,0,0]=2 54 B10R1.20 CCC1=NC=CN=C1OC SY032230 [1,0,0,0,0,0|2,0,0]=3 55 B10R1.20 CNC1=CC=CC=C1C#N SY034561 [1,0,0,0,0,0|1,0,2]=4 56 B10R1.20 CNC1=NC=CC=C1CO SY030421 [1,0,0,0,0,0|3,0,0]=4 57 B10R1.20 COC1=C(C#N)C=CC=N1 SY039103 [1,0,0,0,0,0|1,0,2]=4 58 B10R1.20 COC1=C(CCl)C=CC=C1 SY018869 [1,0,0,0,0,0|1,0,0]=2 59 B10R1.20 COC1=C(CO)C=CC=C1 SY019123 [1,0,0,0,0,0|1,0,0]=2 60 B10R1.20 COC1=C(CO)C=CC=N1 SY039815 [1,0,0,0,0,0|2,0,0]=3 61 B10R1.20 COC1=CC=CC=C1C=O SY001108 [1,0,0,0,0,0|1,0,1]=3 62 B10R1.20 COC1=CC=CC=C1OC SY001445 [1,0,0,0,0,0|1,0,0]=2 63 B10R1.20 COC1=CC=CC=C1ON SY282052 [1,0,0,0,0,0|1,0,0]=2 64 B10R1.20 COC1=CC=CC=C1ON SY282053 [1,0,0,0,0,0|1,0,0]=2 65 B10R1.20 COC1=CC=CN=C1C#N SY032382 [1,0,0,0,0,0|1,0,2]=4 66 B10R1.20 COC1=CC=CN=C1CCl SY245277 [1,0,0,0,0,0|2,0,0]=3 67 B10R1.20 COC1=CC=CN=C1CN SY032383 [1,0,0,0,0,0|1,0,0]=2 68 B10R1.20 COC1=CC=CN=C1OC SY038240 [1,0,0,0,0,0|2,0,0]=3 69 B10R1.20 COC1=NC=CC=C1C=O SY022300 [1,0,0,0,0,0|2,0,1]=4 70 B10R1.20 COC1=NC=CC=C1CN SY031860 [1,0,0,0,0,0|1,0,0]=2 71 B10R1.20 COC1=NC=CC=C1ON SY282518 [1,0,0,0,0,0|2,0,0]=3 72 B10R1.20 COC1=NC=CC=C1ON SY282519 [1,0,0,0,0,0|2,0,0]=3 73 B10R1.20 CSC1=CC=CC=C1ON SY282194 [1,0,0,0,0,0|1,1,0]=3 74 B10R1.20 CSC1=CC=CC=C1ON SY282195 [1,0,0,0,0,0|1,1,0]=3 75 B10R1.20 N#CC1=CC=CC=C1CN SY027401 [1,0,0,0,0,0|2,0,0]=3 76 B10R1.20 N#CC1=CC=CC=C1CO SY025433 [1,0,0,0,0,0|3,0,0]=4 77 B10R1.20 NCC1=CC=CC=C1CO SY021933 [1,0,0,0,0,0|2,0,0]=3 78 B10R1.20 O=CC1=CC=CC=C1CBr SY260825 [1,0,0,0,0,0|3,0,0]=4 79 B10R1.20 OCC1=CC=CC=C1CO SY026742 [1,0,0,0,0,0|3,0,0]=4 80 B12R1.75 COC1=C(CC(=O)O)C=CC=C1 SY014484 [0,1,0,0,0,0|1,0,1]=3 81 B12R1.75 COC1=CC=CC=C1NC(C)=O SY107302 [0,1,0,0,0,0|2,0,1]=4 82 B12R1.75 COC1=CC=CC=C1NC(N)=S SY038446 [0,1,0,0,0,0|1,0,1]=3 83 B12R1.75 COC1=CC=CC=C1OC(=O)Cl SY297050 [0,1,0,0,0,0|2,0,1]=4 84 B12R1.77 C#CC(O)C1=CC=CC=C1OC SY045241 [0,1,0,0,0,0|1,0,1]=3 85 B12R1.77 CCC(C)C1=NC=CN=C1OC SY015398 [0,1,0,0,0,0|3,0,0]=4 86 B12R1.77 COC(=O)C1=CC=CC=C1OC SY048778 [0,1,0,0,0,0|2,0,1]=4 87 B12R1.77 COC1=CC=CC=C1C(=O)CO SY130983 [0,1,0,0,0,0|1,0,1]=3 88 B12R1.77 COC1=CC=CC=C1C(=O)NN SY061614 [0,1,0,0,0,0|1,0,1]=3 89 B12R1.112 COC1=C(OCCl)C=CC(Br)=C1 SY298334 [0,1,0,0,0,0|2,0,0]=3 90 B12R1.112 COC1=C(OCCl)C=CC(C)=C1 SY298546 [0,1,0,0,0,0|2,0,0]=3 91 B12R1.121 COC1=CC=CC=C1OCCN SY021331 [0,1,0,0,0,0|0,0,0]=1 92 B12R1.121 CSC1=C(OCC#N)C=CC=C1 SY011012 [0,1,0,0,0,0|0,1,2]=4 93 B12R1.121 CSC1=CC=CC=C1OCCN SY008287 [0,1,0,0,0,0|0,1,0]=2 94 B12R1.121 N#CC1=CC=CC=C1OCCN SY008281 [0,1,0,0,0,0|2,0,0]=3 95 B12R1.169 CCOC1=CC=CC=C1OCC SY047589 [0,1,0,0,0,0|2,0,0]=3 96 B12R1.169 CCOC1=CC=CC=C1OCCl SY298548 [0,1,0,0,0,0|2,0,0]=3 97 B12R1.268 CCOC1=CC(Br)=CC=C1OC SY263068 [0,1,0,0,0,0|2,0,0]=3 98 B12R1.268 COC1=C(OCCl)C=C(F)C=C1 SY298520 [0,1,0,0,0,0|2,0,0]=3 99 B12R1.268 COC1=CC=C(F)C=C1CON SY281854 [0,1,0,0,0,0|1,0,0]=2 100 B12R1.268 COC1=CC=C(F)C=C1CON SY281855 [0,1,0,0,0,0|1,0,0]=2 101 B12R1.283 CC(C)C1=C(OCCl)C=CC=C1 SY298421 [0,1,0,0,0,0|3,0,0]=4 102 B12R1.283 NCCC1=CC=CC=C1C(=O)O SY139425 [0,1,0,0,0,0|2,0,0]=3 103 B12R1.283 NCCC1=CC=CC=C1[N+](=O)[O-] SY163217 [0,1,0,0,0,0|2,0,0]=3 104 B12R1.283 NOCC1=CC=CC=C1[N+](=O)[O-] SY281882 [0,1,0,0,0,0|3,0,0]=4 105 B12R1.283 NOCC1=CC=CC=C1[N+](=O)[O-] SY281883 [0,1,0,0,0,0|3,0,0]=4 106 B12R1.283 O=[N+]([O-])C1=CC=CC=C1CCO SY032578 [0,1,0,0,0,0|3,0,0]=4 107 B12R2.1 ClCC1=COC2=CC=CC=C12 SY045686 [0,0,0,1,0,0|1,0,2]=4 108 B12R2.1 NCC1=CNC2=C1C=CC=C2 SY026632 [0,0,0,1,0,0|1,0,2]=4 109 B12R2.1 NCC1=COC2=CC=CC=C12 SY026635 [0,0,0,1,0,0|0,0,2]=3 110 B12R2.1 NCC1=CSC2=CC=CC=C12 SY027010 [0,0,0,1,0,0|0,1,2]=4 111 B12R2.1 NCC1=NNC2=C1C=CC=C2 SY006135 [0,0,0,1,0,0|2,0,1]=4 112 B12R2.1 NCC1=NNC2=C1C=CC=C2 SY018527 [0,0,0,1,0,0|2,0,1]=4 113 B12R2.1 NCC1CNC2=C1C=CC=C2 SY022297 [0,0,0,1,0,0|1,0,0]=2 114 B12R2.1 NCC1CNC2=C1C=CC=C2 SY022653 [0,0,0,1,0,0|1,0,0]=2 115 B12R2.1 OCC1=COC2=CC=CC=C12 SY045671 [0,0,0,1,0,0|1,0,2]=4 116 B12R2.1 OCC1CCC2=C1C=CC=C2 SY030168 [0,0,0,1,0,0|2,0,0]=3 117 B12R2.18 CC1CC2=C(C=CC=C2)C1=O SY081370 [0,0,0,1,0,0|3,0,0]=4 118 B12R2.18 CN1C(=O)CC2=C1C=CC=C2 SY042826 [0,0,0,1,0,0|2,0,1]=4 119 B12R2.18 NC1C2=CC=CC=C2CC1O SY003676 [0,0,0,1,0,0|3,0,0]=4 120 B12R2.18 N[C@@H]1C2=C(C=CC=C2)C[C@@H]1O SY007785 [0,0,0,1,0,0|3,0,0]=4 121 B12R2.18 N[C@@H]1C2=C(C=CC=C2)C[C@H]1O SY007747 [0,0,0,1,0,0|3,0,0]=4 122 B12R2.18 N[C@H]1C2=C(C=CC=C2)C[C@@H]1O SY007896 [0,0,0,1,0,0|3,0,0]=4 123 B12R2.18 N[C@H]1C2=C(C=CC=C2)C[C@H]1O SY009651 [0,0,0,1,0,0|3,0,0]=4 124 B12R2.18 N[C@H]1C2=C(C=CC=C2)C[C@H]1O SY279293 [0,0,0,1,0,0|3,0,0]=4 125 B12R2.18 O[C@@H]1C2=C(C=CC=C2)C[C@H]1Br SY015553 [0,0,0,1,0,0|3,0,0]=4 126 B12R2.24 BrC1CCC2=C(C=CC=C2)C1 SY297477 [0,0,0,1,0,0|2,0,0]=3 127 B12R2.24 CC1CCC2=C(C=CC=C2)N1 SY045570 [0,0,0,1,0,0|3,0,0]=4 128 B12R2.24 NC1CCC2=C(C=CC=C2)C1 SY031850 [0,0,0,1,0,0|1,0,0]=2 129 B12R2.24 N[C@@H]1CCC2=C(C=CC=C2)C1 SY118721 [0,0,0,1,0,0|1,0,0]=2 130 B12R2.24 N[C@@H]1COC2=C(C=CC=C2)C1 SY021954 [0,0,0,1,0,0|0,0,0]=1 131 B12R2.24 O=C1CNC2=C(C=CC=C2)C1 SY292612 [0,0,0,1,0,0|2,0,1]=4 132 B12R2.24 O=C1COC2=C(C=CC=C2)N1 SY007578 [0,0,0,1,0,0|2,0,1]=4 133 B12R2.24 O=C1CSC2=C(C=CC=C2)C1 SY033162 [0,0,0,1,0,0|1,1,1]=4 134 B12R2.24 OC1CC2=C(C=CC=C2)CO1 SY293993 [0,0,0,1,0,0|3,0,0]=4 135 B12R2.24 OC1CCC2=C(C=CC=C2)C1 SY056861 [0,0,0,1,0,0|2,0,0]=3 136 B12R2.41 C1=CC=C2CNCCCC2=C1 SY047638 [0,0,0,1,0,0|3,0,0]=4 137 B12R2.41 C1=CC=C2NCCCCC2=C1 SY012221 [0,0,0,1,0,0|2,0,0]=3 138 B12R2.41 C1=CC=C2OCCCOC2=C1 SY003809 [0,0,0,1,0,0|2,0,0]=3 139 B12R2.41 C1=CC=C2OCCNCC2=C1 SY104284 [0,0,0,1,0,0|2,0,0]=3 140 B12R2.315 COC1=CC=CC2=C1C=CN2 SY001984 [0,0,0,1,0,0|0,0,2]=3 141 B12R2.315 COC1=CC=CC2=C1C=NN2 SY020405 [0,0,0,1,0,0|1,0,1]=3 142 B12R2.315 COC1=CC=CC2=C1CNC2 SY111497 [0,0,0,1,0,0|2,0,0]=3 143 B12R2.315 COC1=CC=CC2=C1NC=C2 SY009284 [0,0,0,1,0,0|2,0,1]=4 144 B12R2.315 COC1=CC=CC2=C1NCC2 SY235533 [0,0,0,1,0,0|2,0,0]=3 145 B12R2.315 COC1=CC=CC2=C1NN=C2 SY032798 [0,0,0,1,0,0|3,0,0]=4 146 B12R2.315 COC1=CC=NC2=C1C=CN2 SY033609 [0,0,0,1,0,0|1,0,2]=4 147 B12R2.1081 CC1NCCC2=C1C=CC=C2 SY027949 [0,0,0,1,0,0|1,0,0]=2 148 B12R2.1081 CN1CCNC2=C1C=CC=C2 SY022100 [0,0,0,1,0,0|3,0,0]=4 149 B12R2.1081 NC1CCCC2=C1C=CC=C2 SY004141 [0,0,0,1,0,0|3,0,0]=4 150 B12R2.1081 N[C@@H]1CCCC2=C1C=CC=C2 SY045443 [0,0,0,1,0,0|3,0,0]=4 151 B12R2.1081 N[C@H]1CCCC2=C1C=CC=C2 SY001972 [0,0,0,1,0,0|3,0,0]=4 152 B12R2.1081 O=C1CCCC2=C1C=CC=C2 SY001538 [0,0,0,1,0,0|3,0,0]=4 153 B12R2.1081 O=C1NCCC2=C1C=CC=C2 SY021304 [0,0,0,1,0,0|2,0,0]=3 154 B12R2.1081 O=C1OCCC2=C1C=CC=C2 SY031574 [0,0,0,1,0,0|3,0,0]=4 155 B12R2.1081 OC1CCCC2=CC=CC=C21 SY009329 [0,0,0,1,0,0|3,0,0]=4 156 B12R2.1081 O[C@H]1CCCC2=C1C=CC=C2 SY104799 [0,0,0,1,0,0|3,0,0]=4 157 B12R2.2048 CCC1=CC=CC=C1C2CC2 SY263893 [0,0,0,1,0,0|2,0,0]=3 158 B12R2.2048 COC1=CC=CC=C1C2CC2 SY263878 [0,0,0,1,0,0|1,0,0]=2 159 B12R2.2048 COC1=CC=CC=C1C2CO2 SY252925 [0,0,0,1,0,0|1,0,0]=2 160 B12R2.2048 N#CC1=CC=CC=C1C2CC2 SY239618 [0,0,0,1,0,0|3,0,0]=4 161 B9R1.8 BrCCC1=NC=CC=C1 SY004999 [2,0,0,0,0,0|2,0,0]=4 162 B9R1.8 CCCC1=NC=CC=C1 SY035538 [2,0,0,0,0,0|2,0,0]=4 163 B9R1.8 COCC1=CC=CC=C1 SY049310 [2,0,0,0,0,0|2,0,0]=4 164 B9R1.8 NCCC1=CC=CN=C1 SY003234 [2,0,0,0,0,0|1,0,0]=3 165 B9R1.8 NNCC1=CC=CC=C1 SY004756 [2,0,0,0,0,0|1,0,0]=3 166 B9R1.8 NNCC1=CC=CC=C1 SY004764 [2,0,0,0,0,0|1,0,0]=3 167 B9R1.8 NNCC1=NC=CC=C1 SY042125 [2,0,0,0,0,0|2,0,0]=4 168 B9R1.8 NOCC1=CC=CC=C1 SY005671 [2,0,0,0,0,0|1,0,0]=3 169 B9R1.8 NOCC1=CC=CC=C1 SY018100 [2,0,0,0,0,0|1,0,0]=3 170 B9R1.8 NOCC1=CC=CN=C1 SY029692 [2,0,0,0,0,0|2,0,0]=4 171 B9R1.8 NOCC1=CC=CN=C1 SY281597 [2,0,0,0,0,0|2,0,0]=4 172 B9R1.8 NOCC1=CC=NC=C1 SY281602 [2,0,0,0,0,0|2,0,0]=4 173 B9R1.8 NOCC1=CC=NC=C1 SY281603 [2,0,0,0,0,0|2,0,0]=4 174 B9R1.8 NOCC1=NC=CC=C1 SY281576 [2,0,0,0,0,0|2,0,0]=4 175 B9R1.8 NOCC1=NC=CC=C1 SY281577 [2,0,0,0,0,0|2,0,0]=4 176 B9R1.8 OCCC1=CC=CN=C1 SY004170 [2,0,0,0,0,0|2,0,0]=4 177 B9R1.8 OCCC1=CC=NC=C1 SY001138 [2,0,0,0,0,0|2,0,0]=4 178 B9R1.8 ONCC1=CC=CC=C1 SY019534 [2,0,0,0,0,0|2,0,0]=4 179 B9R1.8 ONCC1=CC=CC=C1 SY024088 [2,0,0,0,0,0|2,0,0]=4 180 B9R1.8 SCCC1=CC=CC=C1 SY039368 [2,0,0,0,0,0|1,0,0]=3 181 B9R1.15 C#CC1=CC=CC=C1C SY253599 [2,0,0,0,0,0|0,0,2]=4 182 B9R1.15 C#CC1=CC=CC=C1N SY066830 [2,0,0,0,0,0|1,0,1]=4 183 B9R1.15 C#CC1=CC=CC=C1O SY032039 [2,0,0,0,0,0|0,0,2]=4 184 B9R1.15 CC1=C(CO)C=CC=C1 SY013626 [2,0,0,0,0,0|1,0,0]=3 185 B9R1.15 CC1=C(NN)C=CC=C1 SY004795 [2,0,0,0,0,0|1,0,0]=3 186 B9R1.15 CC1=C(ON)C=NC=C1 SY282524 [2,0,0,0,0,0|2,0,0]=4 187 B9R1.15 CC1=C(ON)C=NC=C1 SY282525 [2,0,0,0,0,0|2,0,0]=4 188 B9R1.15 CC1=CC=CC=C1C=O SY001303 [2,0,0,0,0,0|1,0,1]=4 189 B9R1.15 CC1=CC=CC=C1ON SY282054 [2,0,0,0,0,0|1,0,0]=3 190 B9R1.15 CC1=CC=CC=C1ON SY282055 [2,0,0,0,0,0|1,0,0]=3 191 B9R1.15 CC1=NC=CC=C1CN SY035172 [2,0,0,0,0,0|1,0,0]=3 192 B9R1.15 CC1=NC=CC=C1NN SY026023 [2,0,0,0,0,0|2,0,0]=4 193 B9R1.15 CCC1=C(Br)C=NC=C1 SY029943 [2,0,0,0,0,0|2,0,0]=4 194 B9R1.15 CCC1=CC=CC=C1O SY012952 [2,0,0,0,0,0|0,0,0]=2 195 B9R1.15 CCC1=NC=CC=C1Br SY029944 [2,0,0,0,0,0|2,0,0]=4 196 B9R1.15 CNC1=C(N)C=NC=C1 SY059863 [2,0,0,0,0,0|2,0,0]=4 197 B9R1.15 CNC1=CC=CC=C1Br SY246165 [2,0,0,0,0,0|2,0,0]=4 198 B9R1.15 CNC1=CC=CC=C1Cl SY048562 [2,0,0,0,0,0|2,0,0]=4 199 B9R1.15 CNC1=CC=CC=C1F SY018442 [2,0,0,0,0,0|2,0,0]=4 200 B9R1.15 CNC1=CC=CC=C1N SY045512 [2,0,0,0,0,0|1,0,0]=3 201 B9R1.15 COC1=C(Br)C=NC=C1 SY039028 [2,0,0,0,0,0|2,0,0]=4 202 B9R1.15 COC1=C(I)C=CC=C1 SY017939 [2,0,0,0,0,0|1,0,0]=3 203 B9R1.15 COC1=C(N)C=NC=C1 SY019773 [2,0,0,0,0,0|1,0,0]=3 204 B9R1.15 COC1=CC=CC=C1Cl SY026857 [2,0,0,0,0,0|1,0,0]=3 205 B9R1.15 COC1=CC=CC=C1N SY277586 [2,0,0,0,0,0|0,0,0]=2 206 B9R1.15 COC1=CC=CC=C1O SY048708 [2,0,0,0,0,0|1,0,0]=3 207 B9R1.15 COC1=CC=CN=C1Br SY017484 [2,0,0,0,0,0|2,0,0]=4 208 B9R1.15 COC1=CC=CN=C1Cl SY005476 [2,0,0,0,0,0|2,0,0]=4 209 B9R1.15 COC1=CC=CN=C1F SY035894 [2,0,0,0,0,0|2,0,0]=4 210 B9R1.15 COC1=CC=CN=C1N SY023972 [2,0,0,0,0,0|1,0,0]=3 211 B9R1.15 COC1=CC=CNC1=O SY009058 [2,0,0,0,0,0|2,0,0]=4 212 B9R1.15 COC1=CN=CN=C1N SY037449 [2,0,0,0,0,0|2,0,0]=4 213 B9R1.15 COC1=NC=CC=C1Br SY007904 [2,0,0,0,0,0|2,0,0]=4 214 B9R1.15 COC1=NC=CC=C1Cl SY022136 [2,0,0,0,0,0|2,0,0]=4 215 B9R1.15 COC1=NC=CC=C1I SY022129 [2,0,0,0,0,0|2,0,0]=4 216 B9R1.15 COC1=NC=CC=C1N SY009589 [2,0,0,0,0,0|1,0,0]=3 217 B9R1.15 COC1=NC=CC=C1O SY068872 [2,0,0,0,0,0|2,0,0]=4 218 B9R1.15 COC1=NC=CN=C1N SY021285 [2,0,0,0,0,0|2,0,0]=4 219 B9R1.15 CSC1=C(N)C=NC=C1 SY138200 [2,0,0,0,0,0|1,1,0]=4 220 B9R1.15 CSC1=C(O)C=CC=C1 SY008439 [2,0,0,0,0,0|1,0,0]=3 221 B9R1.15 CSC1=CC=CN=C1N SY213869 [2,0,0,0,0,0|1,1,0]=4 222 B9R1.15 CSC1=NC=CC=C1N SY283974 [2,0,0,0,0,0|1,1,0]=4 223 B9R1.15 NC1=C(C=O)C=CC=C1 SY024955 [2,0,0,0,0,0|2,0,0]=4 224 B9R1.15 NC1=C(CO)C=CC=C1 SY006439 [2,0,0,0,0,0|2,0,0]=4 225 B9R1.15 NCC1=C(Br)C=NC=C1 SY035350 [2,0,0,0,0,0|2,0,0]=4 226 B9R1.15 NCC1=C(Cl)C=NC=C1 SY035349 [2,0,0,0,0,0|2,0,0]=4 227 B9R1.15 NCC1=C(F)C=NC=C1 SY035166 [2,0,0,0,0,0|2,0,0]=4 228 B9R1.15 NCC1=CC=CC=C1I SY041411 [2,0,0,0,0,0|1,0,0]=3 229 B9R1.15 NCC1=CC=CC=C1O SY018673 [2,0,0,0,0,0|0,0,0]=2 230 B9R1.15 NCC1=CC=CN=C1F SY163261 [2,0,0,0,0,0|2,0,0]=4 231 B9R1.15 NCC1=NC=CC=C1F SY035457 [2,0,0,0,0,0|2,0,0]=4 232 B9R1.15 NCC1=NC=CC=C1F SY042134 [2,0,0,0,0,0|2,0,0]=4 233 B9R1.15 NCC1=NC=CC=C1F SY047766 [2,0,0,0,0,0|2,0,0]=4 234 B9R1.15 NCC1=NC=CC=C1N SY035169 [2,0,0,0,0,0|2,0,0]=4 235 B9R1.15 NNC1=CC=CC=C1F SY022145 [2,0,0,0,0,0|2,0,0]=4 236 B9R1.15 NOC1=CC=CC=C1Br SY282434 [2,0,0,0,0,0|2,0,0]=4 237 B9R1.15 NOC1=CC=CC=C1Br SY282435 [2,0,0,0,0,0|2,0,0]=4 238 B9R1.15 NOC1=CC=CC=C1Cl SY199224 [2,0,0,0,0,0|2,0,0]=4 239 B9R1.15 NOC1=CC=CC=C1Cl SY282090 [2,0,0,0,0,0|2,0,0]=4 240 B9R1.15 NOC1=CC=CC=C1F SY164880 [2,0,0,0,0,0|2,0,0]=4 241 B9R1.15 NOC1=CC=CC=C1F SY199220 [2,0,0,0,0,0|2,0,0]=4 242 B9R1.15 OCC1=C(Br)C=CC=C1 SY006444 [2,0,0,0,0,0|2,0,0]=4 243 B9R1.15 OCC1=C(Cl)C=CC=C1 SY003561 [2,0,0,0,0,0|2,0,0]=4 244 B9R1.15 OCC1=C(I)C=CC=C1 SY013872 [2,0,0,0,0,0|2,0,0]=4 245 B9R1.15 OCC1=C(O)C=CC=C1 SY012296 [2,0,0,0,0,0|1,0,0]=3 246 B9R1.15 OCC1=C(O)C=NC=C1 SY277434 [2,0,0,0,0,0|2,0,0]=4 247 B9R1.15 OCC1=CC=CC=C1F SY032653 [2,0,0,0,0,0|2,0,0]=4 248 B11R1.13 C=CCC1=CC=CC(C)=C1O SY251122 [1,1,0,0,0,0|1,0,1]=4 249 B11R1.13 CC1=C(C)C(OCCl)=CC=C1 SY298418 [1,1,0,0,0,0|2,0,0]=4 250 B11R1.13 NCCC1=CC=CC(O)=C1O SY271550 [1,1,0,0,0,0|0,0,0]=2 251 B11R1.13 NOCC1=CC=CC(Cl)=C1Cl SY281841 [1,1,0,0,0,0|2,0,0]=4 252 B11R1.13 NOCC1=CC=CC(Cl)=C1Cl SY281842 [1,1,0,0,0,0|2,0,0]=4 253 B11R1.13 NOCC1=CC=CC(Cl)=C1F SY281762 [1,1,0,0,0,0|2,0,0]=4 254 B11R1.13 NOCC1=CC=CC(Cl)=C1F SY281763 [1,1,0,0,0,0|2,0,0]=4 255 B11R1.13 NOCC1=CC=CC(F)=C1Cl SY281806 [1,1,0,0,0,0|2,0,0]=4 256 B11R1.13 NOCC1=CC=CC(F)=C1Cl SY281807 [1,1,0,0,0,0|2,0,0]=4 257 B11R1.17 C=CCOC1=CC=CC=C1O SY115738 [1,1,0,0,0,0|1,0,1]=4 258 B11R1.17 CC1=C(OCC#N)C=CC=C1 SY010990 [1,1,0,0,0,0|0,0,2]=4 259 B11R1.17 CC1=C(OCCN)C=CC=C1 SY008284 [1,1,0,0,0,0|0,0,0]=2 260 B11R1.17 CC1=CC=CC=C1NCCO SY012279 [1,1,0,0,0,0|1,0,0]=3 261 B11R1.17 CCCOC1=C(N)C=CC=C1 SY023299 [1,1,0,0,0,0|2,0,0]=4 262 B11R1.17 CCCOC1=CC=CC=C1N SY027786 [1,1,0,0,0,0|2,0,0]=4 263 B11R1.17 CCNCC1=CC=CC=C1O SY018670 [1,1,0,0,0,0|1,0,0]=3 264 B11R1.17 CNCCC1=CC=CC=C1F SY002937 [1,1,0,0,0,0|1,0,0]=3 265 B11R1.17 NCCCC1=CC=CC=C1Br SY030070 [1,1,0,0,0,0|1,0,0]=3 266 B11R1.17 NCCOC1=C(Cl)C=CC=C1 SY008278 [1,1,0,0,0,0|1,0,0]=3 267 B11R1.17 NCCOC1=C(F)C=CC=C1 SY008272 [1,1,0,0,0,0|1,0,0]=3 268 B11R1.17 OCCCC1=CC=CC=C1Br SY021684 [1,1,0,0,0,0|2,0,0]=4 269 B11R1.81 CC1=C(OCCl)C=CC(F)=C1 SY298522 [1,1,0,0,0,0|2,0,0]=4 270 B11R1.81 CC1=CC(Br)=CC=C1CC#N SY043217 [1,1,0,0,0,0|0,0,2]=4 271 B11R1.81 CC1=CC(F)=CC=C1CC#N SY104445 [1,1,0,0,0,0|0,0,2]=4 272 B11R1.81 CC1=CC=C(CON)C(C)=C1 SY281864 [1,1,0,0,0,0|1,0,0]=3 273 B11R1.81 CC1=CC=C(CON)C(C)=C1 SY281865 [1,1,0,0,0,0|1,0,0]=3 274 B11R1.81 ClC1=CC=C(CCBr)C(Cl)=C1 SY272654 [1,1,0,0,0,0|2,0,0]=4 275 B11R1.81 FC1=CC(Br)=CC=C1CCBr SY262898 [1,1,0,0,0,0|2,0,0]=4 276 B11R1.81 NCCC1=C(Br)C=C(Br)C=C1 SY024168 [1,1,0,0,0,0|1,0,0]=3 277 B11R1.81 NCCC1=CC=C(Cl)C=C1Br SY026059 [1,1,0,0,0,0|1,0,0]=3 278 B11R1.81 NCCC1=CC=C(Cl)C=C1Cl SY016934 [1,1,0,0,0,0|1,0,0]=3 279 B11R1.81 NCCC1=CC=C(F)C=C1Br SY026084 [1,1,0,0,0,0|1,0,0]=3 280 B11R1.81 NCCC1=CC=C(F)C=C1F SY025989 [1,1,0,0,0,0|1,0,0]=3 281 B11R1.81 NNCC1=CC=C(Br)C=C1F SY048094 [1,1,0,0,0,0|2,0,0]=4 282 B11R1.81 NNCC1=CC=C(Cl)C=C1Cl SY026144 [1,1,0,0,0,0|2,0,0]=4 283 B11R1.81 NNCC1=CC=C(F)C=C1Br SY048101 [1,1,0,0,0,0|2,0,0]=4 284 B11R1.81 NNCC1=CC=C(F)C=C1Cl SY048095 [1,1,0,0,0,0|2,0,0]=4 285 B11R1.81 NNCC1=CC=C(F)C=C1F SY040720 [1,1,0,0,0,0|2,0,0]=4 286 B11R1.81 NOCC1=CC=C(Br)C=C1F SY281756 [1,1,0,0,0,0|2,0,0]=4 287 B11R1.81 NOCC1=CC=C(Br)C=C1F SY281757 [1,1,0,0,0,0|2,0,0]=4 288 B11R1.81 NOCC1=CC=C(F)C=C1Cl SY281760 [1,1,0,0,0,0|2,0,0]=4 289 B11R1.81 NOCC1=CC=C(F)C=C1F SY281565 [1,1,0,0,0,0|2,0,0]=4 290 B11R1.81 NOCC1=CC=C(F)C=C1F SY281566 [1,1,0,0,0,0|2,0,0]=4 291 B11R1.81 OCCC1=CC=C(Cl)C=C1Cl SY021862 [1,1,0,0,0,0|2,0,0]=4 292 B11R1.86 CC(C)CC1=CC=CC=C1N SY036357 [1,1,0,0,0,0|2,0,0]=4 293 B11R1.86 CC(C)OC1=CC=CC=C1O SY062038 [1,1,0,0,0,0|2,0,0]=4 294 B11R1.86 CC1=CC=CC=C1CC(=O)O SY003130 [1,1,0,0,0,0|1,0,1]=4 295 B11R1.86 N=C(N)CC1=C(Cl)C=CC=C1 SY003979 [1,1,0,0,0,0|1,0,1]=4 296 B11R1.86 NC(=O)CC1=CC=CC=C1Cl SY016301 [1,1,0,0,0,0|1,0,1]=4 297 B11R1.182 CC1=C(OCCl)C=C(Br)C=C1 SY298463 [1,1,0,0,0,0|2,0,0]=4 298 B11R1.182 CC1=CC=C(C)C(OCCl)=C1 SY298328 [1,1,0,0,0,0|2,0,0]=4 299 B11R1.182 CC1=CC=C(F)C=C1CC#N SY033875 [1,1,0,0,0,0|0,0,2]=4 300 B11R1.182 CNCC1=CC(Br)=CC=C1O SY018706 [1,1,0,0,0,0|2,0,0]=4 301 B11R1.182 CNCC1=CC(Cl)=CC=C1O SY018708 [1,1,0,0,0,0|2,0,0]=4 302 B11R1.182 CNCC1=CC(F)=CC=C1O SY018704 [1,1,0,0,0,0|2,0,0]=4 303 B11R1.182 NNCC1=CC(Br)=CC=C1F SY048100 [1,1,0,0,0,0|2,0,0]=4 304 B11R1.182 NNCC1=CC(Cl)=CC=C1Br SY048099 [1,1,0,0,0,0|2,0,0]=4 305 B11R1.182 NNCC1=CC(F)=CC=C1Cl SY048096 [1,1,0,0,0,0|2,0,0]=4 306 B11R1.182 NOCC1=CC(Cl)=CC=C1Br SY281792 [1,1,0,0,0,0|2,0,0]=4 307 B11R1.182 NOCC1=CC(Cl)=CC=C1Br SY281793 [1,1,0,0,0,0|2,0,0]=4 308 B11R1.182 NOCC1=CC(Cl)=CC=C1Cl SY281694 [1,1,0,0,0,0|2,0,0]=4 309 B11R1.182 NOCC1=CC(Cl)=CC=C1Cl SY281695 [1,1,0,0,0,0|2,0,0]=4 310 B11R1.182 NOCC1=CC(Cl)=CC=C1F SY281679 [1,1,0,0,0,0|2,0,0]=4 311 B11R1.182 NOCC1=CC(Cl)=CC=C1F SY281680 [1,1,0,0,0,0|2,0,0]=4 312 B11R1.182 NOCC1=CC(F)=CC=C1Br SY281764 [1,1,0,0,0,0|2,0,0]=4 313 B11R1.182 NOCC1=CC(F)=CC=C1Br SY281765 [1,1,0,0,0,0|2,0,0]=4 314 B11R1.182 NOCC1=CC(F)=CC=C1F SY281719 [1,1,0,0,0,0|2,0,0]=4 315 B11R1.182 NOCC1=CC(F)=CC=C1F SY281720 [1,1,0,0,0,0|2,0,0]=4 316 B11R1.222 C#CC(O)C1=CC=CC=C1C SY045248 [1,1,0,0,0,0|1,0,1]=4 317 B11R1.222 C#CC(O)C1=CC=CC=C1O SY045252 [1,1,0,0,0,0|1,0,1]=4 318 B11R1.222 CC1=CC=CC=C1C(=O)CO SY130976 [1,1,0,0,0,0|1,0,1]=4 319 B11R1.222 CCC(=O)C1=C(O)C=CC=C1 SY015244 [1,1,0,0,0,0|1,0,1]=4 320 B11R1.222 NCC(O)C1=CC=CC=C1Cl SY034840 [1,1,0,0,0,0|1,0,0]=3 321 B11R1.222 NCC(O)C1=CC=CC=C1Cl SY034841 [1,1,0,0,0,0|1,0,0]=3 322 B11R1.222 OC[C@@H](O)C1=CC=CC=C1Cl SY033747 [1,1,0,0,0,0|2,0,0]=4 323 B11R1.605 CC1=CC=CC(C)=C1CON SY281856 [1,1,0,0,0,0|1,0,0]=3 324 B11R1.605 CC1=CC=CC(C)=C1CON SY281857 [1,1,0,0,0,0|1,0,0]=3 325 B11R1.605 NCCC1=C(Cl)C=CC=C1Cl SY016995 [1,1,0,0,0,0|1,0,0]=3 326 B11R1.605 NOCC1=C(F)C=CC=C1Cl SY281681 [1,1,0,0,0,0|2,0,0]=4 327 B11R1.605 NOCC1=C(F)C=CC=C1F SY281754 [1,1,0,0,0,0|2,0,0]=4 328 B11R1.605 NOCC1=C(F)C=CC=C1F SY281755 [1,1,0,0,0,0|2,0,0]=4 329 B11R1.605 OCCC1=C(Cl)C=CC=C1Cl SY021863 [1,1,0,0,0,0|2,0,0]=4 330 B11R1.37 COC1=C(C#N)C=C(N)C=C1 SY018771 [1,1,0,0,0,0|0,0,2]=4 331 B11R1.37 COC1=C(C=O)C=C(F)C=C1 SY008065 [1,1,0,0,0,0|1,0,1]=4 332 B11R1.37 COC1=C(OC)C=C(Br)C=C1 SY004442 [1,1,0,0,0,0|1,0,0]=3 333 B11R1.37 COC1=CC(Br)=CC=C1C#N SY023678 [1,1,0,0,0,0|0,0,2]=4 334 B11R1.37 COC1=CC(Br)=CC=C1C=O SY015357 [1,1,0,0,0,0|1,0,1]=4 335 B11R1.37 COC1=CC(Br)=CC=C1CO SY066923 [1,1,0,0,0,0|1,0,0]=3 336 B11R1.37 COC1=CC(Br)=CN=C1OC SY258509 [1,1,0,0,0,0|2,0,0]=4 337 B11R1.37 COC1=CC(Cl)=CC=C1C=O SY110293 [1,1,0,0,0,0|1,0,1]=4 338 B11R1.37 COC1=CC(Cl)=CC=C1ON SY282299 [1,1,0,0,0,0|1,0,0]=3 339 B11R1.37 COC1=CC(Cl)=CC=C1ON SY282300 [1,1,0,0,0,0|1,0,0]=3 340 B11R1.37 COC1=CC(F)=CC=C1C#N SY022697 [1,1,0,0,0,0|0,0,2]=4 341 B11R1.37 COC1=CC(F)=CC=C1C=O SY022944 [1,1,0,0,0,0|1,0,1]=4 342 B11R1.37 COC1=CC(F)=CC=C1CBr SY035410 [1,1,0,0,0,0|1,0,0]=3 343 B11R1.37 COC1=CC(F)=CC=C1ON SY282207 [1,1,0,0,0,0|1,0,0]=3 344 B11R1.37 COC1=CC(F)=CC=C1ON SY282208 [1,1,0,0,0,0|1,0,0]=3 345 B11R1.37 COC1=CC(O)=CC=C1C=O SY041931 [1,1,0,0,0,0|1,0,1]=4 346 B11R1.37 COC1=CC=C(Br)C=C1C#N SY030630 [1,1,0,0,0,0|0,0,2]=4 347 B11R1.37 COC1=CC=C(Br)C=C1C=O SY015223 [1,1,0,0,0,0|1,0,1]=4 348 B11R1.37 COC1=CC=C(Br)C=C1CO SY034750 [1,1,0,0,0,0|1,0,0]=3 349 B11R1.37 COC1=CC=C(C)C=C1OC SY012769 [1,1,0,0,0,0|1,0,0]=3 350 B11R1.37 COC1=CC=C(Cl)C=C1C#N SY047038 [1,1,0,0,0,0|0,0,2]=4 351 B11R1.37 COC1=CC=C(Cl)C=C1C=O SY034456 [1,1,0,0,0,0|1,0,1]=4 352 B11R1.37 COC1=CC=C(Cl)C=C1ON SY282197 [1,1,0,0,0,0|1,0,0]=3 353 B11R1.37 COC1=CC=C(Cl)C=C1ON SY282198 [1,1,0,0,0,0|1,0,0]=3 354 B11R1.37 COC1=CC=C(F)C=C1CO SY025581 [1,1,0,0,0,0|1,0,0]=3 355 B11R1.37 COC1=CC=C(F)C=C1OC SY046523 [1,1,0,0,0,0|1,0,0]=3 356 B11R1.37 COC1=CC=C(O)C=C1C=O SY104272 [1,1,0,0,0,0|1,0,1]=4 357 B11R1.37 COC1=CC=C(O)C=C1OC SY017636 [1,1,0,0,0,0|1,0,0]=3 358 B11R1.37 COC1=CN=C(Br)C=C1OC SY300037 [1,1,0,0,0,0|2,0,0]=4 359 B11R1.37 COC1=NC=C(Br)C=C1CO SY021803 [1,1,0,0,0,0|2,0,0]=4 360 B11R1.37 CSC1=CC(Br)=CC=C1CO SY264851 [1,1,0,0,0,0|1,1,0]=4 361 B11R1.37 N#CC1=CC(F)=CC=C1CN SY296785 [1,1,0,0,0,0|2,0,0]=4 362 B11R1.53 CC(C)C1=CC=CC=C1C=O SY109589 [1,1,0,0,0,0|2,0,0]=4 363 B11R1.53 CC(C)C1=CC=CC=C1ON SY282339 [1,1,0,0,0,0|1,0,0]=3 364 B11R1.53 CC(C)C1=CC=CC=C1ON SY282340 [1,1,0,0,0,0|1,0,0]=3 365 B11R1.53 CCC1=CC=CC=C1B(O)O SY018048 [1,1,0,0,0,0|2,0,0]=4 366 B11R1.53 CCC1=CC=CC=C1C(=O)O SY014274 [1,1,0,0,0,0|2,0,0]=4 367 B11R1.53 COC1=C(C(=O)O)C=CC=C1 SY003594 [1,1,0,0,0,0|1,0,1]=4 368 B11R1.53 COC1=CC=CC=C1B(O)O SY002864 [1,1,0,0,0,0|2,0,0]=4 369 B11R1.53 COC1=CC=CC=C1C(C)=O SY036008 [1,1,0,0,0,0|0,0,1]=3 370 B11R1.53 COC1=CC=CC=C1C(C)N SY026500 [1,1,0,0,0,0|0,0,0]=2 371 B11R1.53 COC1=CC=CC=C1C(C)O SY011446 [1,1,0,0,0,0|0,0,0]=2 372 B11R1.53 COC1=CC=CC=C1C(F)F SY265634 [1,1,0,0,0,0|1,0,0]=3 373 B11R1.53 COC1=NC=CC=C1C(C)=O SY038106 [1,1,0,0,0,0|1,0,1]=4 374 B11R1.53 COC1=NC=CC=C1C(C)N SY249589 [1,1,0,0,0,0|1,0,0]=3 375 B11R1.53 COC1=NC=CC=C1C(F)F SY265900 [1,1,0,0,0,0|2,0,0]=4 376 B11R1.53 NCC1=CC=CC=C1C(F)F SY027874 [1,1,0,0,0,0|2,0,0]=4 377 B11R1.265 COC1=C(Br)C=CC=C1C#N SY110672 [1,1,0,0,0,0|0,0,2]=4 378 B11R1.265 COC1=C(C#N)C(N)=CC=C1 SY035418 [1,1,0,0,0,0|0,0,2]=4 379 B11R1.265 COC1=C(C=O)C(Br)=CC=C1 SY039526 [1,1,0,0,0,0|1,0,1]=4 380 B11R1.265 COC1=C(CN)C(F)=CC=C1 SY065760 [1,1,0,0,0,0|0,0,0]=2 381 B11R1.265 COC1=C(CO)C(N)=CC=C1 SY129168 [1,1,0,0,0,0|1,0,0]=3 382 B11R1.265 COC1=C(Cl)C=CC=C1ON SY282472 [1,1,0,0,0,0|1,0,0]=3 383 B11R1.265 COC1=C(Cl)C=CC=C1ON SY282473 [1,1,0,0,0,0|1,0,0]=3 384 B11R1.265 COC1=C(O)C=CC=C1C=O SY025931 [1,1,0,0,0,0|1,0,1]=4 385 B11R1.265 COC1=C(OC)C(N)=CC=C1 SY030638 [1,1,0,0,0,0|1,0,0]=3 386 B11R1.265 COC1=C(OC)C(S)=CC=C1 SY279960 [1,1,0,0,0,0|1,0,0]=3 387 B11R1.265 COC1=C(ON)C(F)=CC=C1 SY282218 [1,1,0,0,0,0|1,0,0]=3 388 B11R1.265 COC1=C(ON)C(F)=CC=C1 SY282219 [1,1,0,0,0,0|1,0,0]=3 389 B13R1.51 COC1=CC(Br)=CC=C1CC(=O)O SY100492 [0,2,0,0,0,0|1,0,1]=4 390 B13R1.91 COC(=O)CC1=CC=CC=C1OC SY053750 [0,2,0,0,0,0|1,0,1]=4 391 B13R1.380 CC(=O)NC1=C(CCO)C=CC=C1 SY011654 [0,2,0,0,0,0|2,0,0]=4 392 B13R1.622 COC1=CC=CC=C1OC(C)(C)C SY298982 [0,2,0,0,0,0|2,0,0]=4 393 B13R1.3089 COC1=CC=C(C)C=C1CC(=O)O SY151994 [0,2,0,0,0,0|1,0,1]=4 394 B13R1.3089 COC1=CC=C(Cl)C=C1CC(=O)O SY014174 [0,2,0,0,0,0|1,0,1]=4 395 B13R1.3089 COC1=CC=C(F)C=C1CC(=O)O SY101492 [0,2,0,0,0,0|1,0,1]=4 396 B13R1.382 COC(=O)C1=CC=CC=C1CC#N SY052799 [0,2,0,0,0,0|0,0,2]=4 397 B13R1.382 COC(=O)C1=CC=CC=C1CCBr SY029958 [0,2,0,0,0,0|1,0,0]=3 398 B13R1.547 C[C@@H](CN)C1=CC=CC=C1[N+](=O)[O-] SY264193 [0,2,0,0,0,0|2,0,0]=4 399 B13R1.2209 COC1=CC=C(Cl)C=C1C(=O)NN SY278770 [0,2,0,0,0,0|1,0,1]=4 400 B13R1.2209 COC1=CC=C(F)C=C1C(=O)CO SY131016 [0,2,0,0,0,0|1,0,1]=4 401 B13R1.2357 CCC(=O)C1=C(OC)C=CC=C1F SY269597 [0,2,0,0,0,0|1,0,1]=4 402 B13R1.1249 CCOC1=CC=C(C=O)C=C1OC SY048300 [0,2,0,0,0,0|2,0,0]=4 403 B13R1.1249 CNCC1=CC=C(OC)C=C1OC SY045940 [0,2,0,0,0,0|2,0,0]=4 404 B13R1.1249 CNCC1=CC=C(OC)C=C1OC SY262840 [0,2,0,0,0,0|2,0,0]=4 405 B13R1.1249 COC1=CC=C(CC#N)C(OC)=C1 SY045102 [0,2,0,0,0,0|0,0,2]=4 406 B13R1.84 COC1=CC=CC=C1OCCCN SY008297 [0,2,0,0,0,0|0,0,0]=2 407 B13R1.84 N#CC1=CC=CC=C1OCCCN SY008303 [0,2,0,0,0,0|2,0,0]=4 408 B13R1.90 COC1=C(CCC(=O)O)C=CC=C1 SY014884 [0,2,0,0,0,0|1,0,0]=3 409 B13R1.90 COC1=C(OCC(=O)O)C=CC=C1 SY008335 [0,2,0,0,0,0|1,0,1]=4 410 B13R1.90 COC1=CC=CC=C1OCC(C)=O SY126446 [0,2,0,0,0,0|1,0,1]=4 411 B13R1.485 CCOC1=CC=CC=C1OCCBr SY030339 [0,2,0,0,0,0|1,0,0]=3 412 B13R1.572 NCCOC1=CC=CC=C1C(N)=O SY008286 [0,2,0,0,0,0|2,0,0]=4 413 B13R1.572 NCCOC1=CC=CC=C1[N+](=O)[O-] SY010507 [0,2,0,0,0,0|2,0,0]=4 414 B13R1.355 CCOC1=CC(C#N)=CC=C1OC SY056573 [0,2,0,0,0,0|2,0,0]=4 415 B13R1.355 CCOC1=CC(C=O)=CC=C1OC SY004271 [0,2,0,0,0,0|2,0,0]=4 416 B13R1.381 CS(=O)(=O)C1=CC=CC=C1CCN SY028987 [0,2,0,0,0,0|0,1,0]=3 417 B11R2.10 BrC1CC2=C(C=CC=C2)C1 SY185759 [1,0,0,1,0,0|1,0,0]=3 418 B11R2.10 CC1CC2=C(C=CC=C2)N1 SY014921 [1,0,0,1,0,0|2,0,0]=4 419 B11R2.10 NC1=NC2=C(C=CC=C2)O1 SY010713 [1,0,0,1,0,0|1,0,1]=4 420 B11R2.10 O=C1CC2=C(C=CC=C2)C1 SY001481 [1,0,0,1,0,0|1,0,1]=4 421 B11R2.10 O=C1CC2=C(C=CC=C2)O1 SY038967 [1,0,0,1,0,0|1,0,1]=4 422 B11R2.10 OC1CC2=C(C=CC=C2)C1 SY033139 [1,0,0,1,0,0|1,0,0]=3 423 B11R2.20 C1=CC2=C(C=C1)CCC=C2 SY050004 [1,0,0,1,0,0|1,0,1]=4 424 B11R2.20 C1=CC2=C(C=C1)CCN=C2 SY025255 [1,0,0,1,0,0|0,0,2]=4 425 B11R2.20 C1=CC2=C(C=C1)CNCC2 SY001156 [1,0,0,1,0,0|0,0,0]=2 426 B11R2.20 C1=CC2=C(C=C1)CNNC2 SY022231 [1,0,0,1,0,0|1,0,0]=3 427 B11R2.20 C1=CC2=C(C=C1)COCC2 SY018228 [1,0,0,1,0,0|1,0,0]=3 428 B11R2.20 C1=CC2=C(C=C1)CSCC2 SY286030 [1,0,0,1,0,0|1,0,0]=3 429 B11R2.20 C1=CC2=C(C=C1)NCCC2 SY001847 [1,0,0,1,0,0|2,0,0]=4 430 B11R2.20 C1=CC2=C(C=C1)OCCC2 SY174231 [1,0,0,1,0,0|1,0,0]=3 431 B11R2.20 C1=CC2=C(C=C1)OCCN2 SY011618 [1,0,0,1,0,0|2,0,0]=4 432 B11R2.20 C1=CC2=C(CCCC2)N=C1 SY004991 [1,0,0,1,0,0|2,0,0]=4 433 B11R2.20 C1=CC2=C(CCNC2)N=C1 SY022463 [1,0,0,1,0,0|1,0,0]=3 434 B11R2.20 C1=CC2=C(CNCC2)N=C1 SY114285 [1,0,0,1,0,0|1,0,0]=3 435 B11R2.20 C1=CC=C2OCCOC2=C1 SY032893 [1,0,0,1,0,0|2,0,0]=4 436 B11R2.20 C1=CN=C2CCNCC2=C1 SY022124 [1,0,0,1,0,0|1,0,0]=3 437 B11R2.20 C1=NC=C2CNCCC2=C1 SY102429 [1,0,0,1,0,0|1,0,0]=3 438 B11R2.20 C1=NC=C2CNCCC2=N1 SY025899 [1,0,0,1,0,0|2,0,0]=4 439 B11R2.55 BrC1=CC=CC=C1C2CC2 SY024558 [1,0,0,1,0,0|2,0,0]=4 440 B11R2.55 CC1=CC=CC=C1C2CC2 SY263839 [1,0,0,1,0,0|1,0,0]=3 441 B11R2.55 CC1=CC=CN=C1C2CC2 SY264189 [1,0,0,1,0,0|2,0,0]=4 442 B11R2.55 NC1=CC=CC=C1C2CC2 SY249445 [1,0,0,1,0,0|2,0,0]=4 443 B11R2.106 BrC1=CC=CC2=C1CCC2 SY022574 [1,0,0,1,0,0|2,0,0]=4 444 B11R2.106 BrC1=CC=CC2=C1CCN2 SY012369 [1,0,0,1,0,0|1,0,0]=3 445 B11R2.106 BrC1=CC=CC2=C1CCN2 SY023050 [1,0,0,1,0,0|1,0,0]=3 446 B11R2.106 CC1=C2C=NNC2=CC=C1 SY014098 [1,0,0,1,0,0|1,0,1]=4 447 B11R2.106 CC1=C2N=CNC2=CC=C1 SY025070 [1,0,0,1,0,0|1,0,1]=4 448 B11R2.106 CC1=C2N=CNC2=CC=C1 SY025119 [1,0,0,1,0,0|1,0,1]=4 449 B11R2.106 CC1=CC=CC2=C1C=CN2 SY005776 [1,0,0,1,0,0|0,0,2]=4 450 B11R2.106 CC1=CC=CC2=C1CCN2 SY019161 [1,0,0,1,0,0|0,0,0]=2 451 B11R2.106 CC1=CC=CC2=C1NCC2 SY107457 [1,0,0,1,0,0|2,0,0]=4 452 B11R2.106 FC1=CC=CC2=C1CCN2 SY129312 [1,0,0,1,0,0|1,0,0]=3 453 B11R2.106 NC1=C2CCOC2=CC=C1 SY033411 [1,0,0,1,0,0|2,0,0]=4 454 B11R2.106 NC1=CC=CC2=C1CCC2 SY106803 [1,0,0,1,0,0|2,0,0]=4 455 B11R2.106 OC1=C2N=CNC2=CC=C1 SY102128 [1,0,0,1,0,0|1,0,1]=4 456 B11R2.106 OC1=CC=CC2=C1C=CN2 SY001960 [1,0,0,1,0,0|0,0,2]=4 457 B11R2.106 OC1=CC=CC2=C1C=NN2 SY005229 [1,0,0,1,0,0|1,0,1]=4 458 B11R2.106 OC1=CC=CC2=C1CCC2 SY107623 [1,0,0,1,0,0|1,0,0]=3 459 B11R2.1 C=C1CCC2=C1C=CC=C2 SY031740 [1,0,0,1,0,0|1,0,1]=4 460 B11R2.1 CC1=COC2=CC=CC=C12 SY028461 [1,0,0,1,0,0|0,0,2]=4 461 B11R2.1 CC1CNC2=C1C=CC=C2 SY178552 [1,0,0,1,0,0|1,0,0]=3 462 B11R2.1 CN1CNC2=CC=CC=C21 SY289611 [1,0,0,1,0,0|2,0,0]=4 463 B11R2.1 NC1=NOC2=CC=CC=C21 SY034280 [1,0,0,1,0,0|1,0,1]=4 464 B11R2.1 NC1CCC2=C1C=CC=C2 SY004953 [1,0,0,1,0,0|1,0,0]=3 465 B11R2.1 NC1CCC2=CC=CC=C21 SY004234 [1,0,0,1,0,0|1,0,0]=3 466 B11R2.1 NC1COC2=CC=CC=C21 SY283285 [1,0,0,1,0,0|0,0,0]=2 467 B11R2.1 NN1CCC2=C1C=CC=C2 SY096651 [1,0,0,1,0,0|2,0,0]=4 468 B11R2.1 N[C@@H]1CCC2=C1C=CC=C2 SY030463 [1,0,0,1,0,0|1,0,0]=3 469 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 SY028017 [1,0,0,1,0,0|1,0,0]=3 470 B11R2.1 O=C1CCC2=C1C=CC=C2 SY001380 [1,0,0,1,0,0|2,0,0]=4 471 B11R2.1 O=C1COC2=C1C=CC=C2 SY011530 [1,0,0,1,0,0|1,0,1]=4 472 B11R2.1 O=C1NCC2=C1C=CC=C2 SY020116 [1,0,0,1,0,0|2,0,0]=4 473 B11R2.1 OC1CCC2=C1C=CC=C2 SY014889 [1,0,0,1,0,0|2,0,0]=4 474 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 SY275070 [1,0,0,1,0,0|2,0,0]=4 475 B13R2.581 COC1=C2N=C(Cl)NC2=CC=C1 SY280220 [0,1,0,1,0,0|1,0,1]=4 476 B13R2.581 COC1=C2N=C(N)NC2=CC=C1 SY211929 [0,1,0,1,0,0|1,0,1]=4 477 B13R2.581 COC1=C2N=C(N)SC2=CC=C1 SY031704 [0,1,0,1,0,0|1,0,1]=4 478 B13R2.581 COC1=CC=CC2=C1CC(=O)N2 SY009387 [0,1,0,1,0,0|0,0,1]=3 479 B13R2.32 CC1CCC2=C(C=CC=C2)N1C SY280205 [0,1,0,1,0,0|2,0,0]=4 480 B13R2.91 COC1=CC=CC=C1C2(N)CC2 SY113895 [0,1,0,1,0,0|1,0,0]=3 481 B13R2.582 COC1=C2C(=O)COC2=CC=C1 SY058300 [0,1,0,1,0,0|1,0,1]=4 482 B13R2.582 COC1=CC=CC2=C1C(=O)CC2 SY005012 [0,1,0,1,0,0|1,0,1]=4 483 B13R2.1613 COC1=C2CCNCC2=NC=N1 SY043084 [0,1,0,1,0,0|2,0,0]=4 484 B13R2.1613 COC1=CC=CC2=C1CNCC2 SY030870 [0,1,0,1,0,0|1,0,0]=3 485 B13R2.1613 N#CC1NCCC2=C1C=CC=C2 SY280312 [0,1,0,1,0,0|1,0,1]=4 486 B13R2.1613 NCC1CCCC2=C1C=CC=C2 SY020543 [0,1,0,1,0,0|1,0,0]=3 487 B13R2.1613 NNC1CCCC2=C1C=CC=C2 SY265142 [0,1,0,1,0,0|2,0,0]=4 488 B13R2.1613 OC[C@@H]1CCCC2=C1C=CC=C2 SY270608 [0,1,0,1,0,0|2,0,0]=4 489 B13R2.1613 OC[C@H]1CCCC2=C1C=CC=C2 SY270607 [0,1,0,1,0,0|2,0,0]=4 490 B13R2.2528 CCC1=CC=CC=C1C2CNC2 SY267259 [0,1,0,1,0,0|1,0,0]=3 491 B13R2.2528 CCC1=CC=CC=C1C2CNC2 SY267260 [0,1,0,1,0,0|1,0,0]=3 492 B13R2.2528 COC1=C(C2CNC2)C=NC=C1 SY267579 [0,1,0,1,0,0|1,0,0]=3 493 B13R2.2528 COC1=C(C2CNC2)C=NC=C1 SY267580 [0,1,0,1,0,0|1,0,0]=3 494 B13R2.2528 COC1=CC=CC=C1C2CNC2 SY267233 [0,1,0,1,0,0|0,0,0]=2 495 B13R2.2528 COC1=CC=CC=C1C2CNC2 SY267234 [0,1,0,1,0,0|0,0,0]=2 496 B13R2.2528 COC1=CC=CN=C1C2CNC2 SY267607 [0,1,0,1,0,0|1,0,0]=3 497 B13R2.2528 COC1=CC=CN=C1C2CNC2 SY267608 [0,1,0,1,0,0|1,0,0]=3 498 B13R2.2528 COC1=NC=CC=C1C2CNC2 SY267571 [0,1,0,1,0,0|1,0,0]=3 499 B13R2.2528 COC1=NC=CC=C1C2CNC2 SY267572 [0,1,0,1,0,0|1,0,0]=3 500 B13R2.2931 CN1N=C(CN)C2=C1C=CC=C2 SY034712 [0,1,0,1,0,0|1,0,1]=4 501 B13R2.5252 O=C1CCCCC2=C1C=CC=C2 SY051585 [0,1,0,1,0,0|2,0,0]=4 502 B13R2.5252 O=C1NCCNC2=CC=CC=C12 SY033892 [0,1,0,1,0,0|2,0,0]=4 503 B13R2.162 CC1NCCC2=C1C=C(Br)C=C2 SY253755 [0,1,0,1,0,0|1,0,0]=3 504 B13R2.162 O=C1NCCC2=C1C=C(Br)C=C2 SY024204 [0,1,0,1,0,0|2,0,0]=4 505 B13R2.623 COC1=C2OCOC2=CC(Br)=C1 SY030601 [0,1,0,1,0,0|2,0,0]=4 506 B13R2.623 COC1=CC(Br)=CC2=C1C=NN2 SY034731 [0,1,0,1,0,0|1,0,1]=4 507 B13R2.2082 COC1=CC(Cl)=CC=C1C2CC2 SY264043 [0,1,0,1,0,0|1,0,0]=3 508 B13R2.2082 COC1=CC(F)=CC=C1C2CC2 SY263963 [0,1,0,1,0,0|1,0,0]=3 509 B13R2.2082 COC1=CC(N)=CC=C1C2CC2 SY264127 [0,1,0,1,0,0|1,0,0]=3 510 B13R2.1 NCCC1=CNC2=CC=CC=C12 SY001383 [0,1,0,1,0,0|1,0,1]=4 511 B13R2.1 OCCC1=COC2=CC=CC=C12 SY045627 [0,1,0,1,0,0|1,0,1]=4 512 B13R2.33 O=C1CCC2=CC=CC=C2CC1 SY036148 [0,1,0,1,0,0|2,0,0]=4 513 B13R2.45 CN1C2=CC=CC=C2N=C1CN SY059029 [0,1,0,1,0,0|1,0,1]=4 514 B13R2.57 NCC1CC2=C(C=CC=C2)CO1 SY250682 [0,1,0,1,0,0|2,0,0]=4 515 B13R2.57 NCC1CC2=C(C=CC=C2)CO1 SY293995 [0,1,0,1,0,0|2,0,0]=4 516 B13R2.57 NCC1CCC2=C(C=CC=C2)O1 SY240524 [0,1,0,1,0,0|1,0,0]=3 517 B13R2.57 NCC1CCC2=C(C=CC=C2)O1 SY250687 [0,1,0,1,0,0|1,0,0]=3 518 B13R2.57 NCC1COC2=C(C=CC=C2)O1 SY014251 [0,1,0,1,0,0|0,0,0]=2 519 B13R2.57 NCC1COC2=CC=CC=C2N1 SY026969 [0,1,0,1,0,0|0,0,0]=2 520 B13R2.57 NCC1COC2=CC=CC=C2O1 SY019804 [0,1,0,1,0,0|0,0,0]=2 521 B13R2.57 NC[C@@H]1COC2=CC=CC=C2O1 SY250683 [0,1,0,1,0,0|0,0,0]=2 522 B13R2.57 NNC1CCC2=C(C=CC=C2)C1 SY265143 [0,1,0,1,0,0|1,0,0]=3 523 B13R2.573 COC1=CC=CC2=C(N)ON=C12 SY298572 [0,1,0,1,0,0|1,0,1]=4 524 B13R2.573 COC1=CC=CC2=C1CCC2=O SY004006 [0,1,0,1,0,0|1,0,0]=3 525 B13R2.573 COC1=CC=CC2=C1CNC2=O SY111297 [0,1,0,1,0,0|1,0,1]=4 526 B13R2.268 CCOC1=CC=CC=C1C2CC2 SY264039 [0,1,0,1,0,0|1,0,0]=3 527 B13R2.66 COC1=CC=C(C)C=C1C2CC2 SY264138 [0,1,0,1,0,0|1,0,0]=3 528 B13R2.66 COC1=CC=C(Cl)C=C1C2CC2 SY263990 [0,1,0,1,0,0|1,0,0]=3 529 B13R2.66 COC1=CC=C(F)C=C1C2CC2 SY263982 [0,1,0,1,0,0|1,0,0]=3 530 B13R2.66 COC1=CC=C(N)C=C1C2CC2 SY264117 [0,1,0,1,0,0|1,0,0]=3 531 B13R2.155 N[C@H]1CCC2=CC=C(O)C=C2C1 SY009732 [0,1,0,1,0,0|1,0,0]=3 532 B13R2.611 COC1=CC=C(Br)C2=C1C=NN2 SY038408 [0,1,0,1,0,0|1,0,1]=4 533 B13R2.5179 O=C1NCCC2=C1C=CC(Br)=C2 SY025396 [0,1,0,1,0,0|2,0,0]=4 534 B13R2.5179 O=C1NCCC2=C1C=CC(F)=C2 SY123746 [0,1,0,1,0,0|2,0,0]=4 535 B13R2.5179 O=C1NCCC2=CC(Cl)=CC=C12 SY014075 [0,1,0,1,0,0|2,0,0]=4 536 B13R2.5514 CN(C)C1=CC=CC=C1C2CC2 SY264120 [0,1,0,1,0,0|2,0,0]=4 537 B13R2.2615 COC1=C(C2CC2)C=CC=C1N SY264151 [0,1,0,1,0,0|1,0,0]=3 538 B13R2.4818 O=C1NCCC2=C1C(Br)=CC=C2 SY111693 [0,1,0,1,0,0|2,0,0]=4 539 B13R2.342 O=C1NCCC2=C1C=CC=C2Br SY111299 [0,1,0,1,0,0|2,0,0]=4 540 B13R2.644 COC1=C(C2CC2)C(F)=CC=C1 SY264002 [0,1,0,1,0,0|1,0,0]=3 541 B9R1.33 CC1=NC=CN1CCN SY033876 [1,0,0,0,1,0|2,0,0]=4 542 B9R1.14 COC1=CSC=C1OC SY046581 [1,0,0,0,1,0|2,0,0]=4