0 B11R1.21 CC(=O)C1=CC(F)=C(O)C=C1 SY008859 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.21 CC(=O)C1=CC=C(Br)C(C)=C1 SY104680 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.21 CC(=O)C1=CC=C(Br)C(F)=C1 SY008735 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.21 CC(=O)C1=CC=C(C)C(C)=C1 SY061591 [0,0,0,0,0,0|2,0,1]=3 4 B11R1.21 CC(=O)C1=CC=C(C)C(N)=C1 SY024093 [0,0,0,0,0,0|2,0,1]=3 5 B11R1.21 CC(=O)C1=CC=C(Cl)C(C)=C1 SY062023 [0,0,0,0,0,0|3,0,1]=4 6 B11R1.21 CC(=O)C1=CC=C(Cl)C(Cl)=C1 SY003529 [0,0,0,0,0,0|3,0,1]=4 7 B11R1.21 CC(=O)C1=CC=C(F)C(Br)=C1 SY003533 [0,0,0,0,0,0|3,0,1]=4 8 B11R1.21 CC(=O)C1=CC=C(F)C(C)=C1 SY030422 [0,0,0,0,0,0|3,0,1]=4 9 B11R1.21 CC(=O)C1=CC=C(F)C(Cl)=C1 SY023313 [0,0,0,0,0,0|3,0,1]=4 10 B11R1.21 CC(=O)C1=CC=C(F)C(N)=C1 SY011608 [0,0,0,0,0,0|3,0,1]=4 11 B11R1.21 CC(=O)C1=CC=C(F)C(O)=C1 SY035220 [0,0,0,0,0,0|2,0,1]=3 12 B11R1.21 CC(=O)C1=CC=C(N)C(Cl)=C1 SY237270 [0,0,0,0,0,0|3,0,1]=4 13 B11R1.21 CC(=O)C1=CC=C(N)C(F)=C1 SY029029 [0,0,0,0,0,0|3,0,1]=4 14 B11R1.21 CC(=O)C1=CC=C(N)C(I)=C1 SY237308 [0,0,0,0,0,0|3,0,1]=4 15 B11R1.21 CC(=O)C1=CC=C(O)C(Br)=C1 SY212901 [0,0,0,0,0,0|3,0,1]=4 16 B11R1.21 CC(=O)C1=CC=C(O)C(C)=C1 SY018355 [0,0,0,0,0,0|3,0,1]=4 17 B11R1.21 CC(=O)C1=CC=C(O)C(O)=C1 SY038279 [0,0,0,0,0,0|2,0,1]=3 18 B11R1.21 CC(C)C1=CC(Br)=C(N)C=C1 SY017092 [0,0,0,0,0,0|2,0,0]=2 19 B11R1.21 CC(O)C1=CC=C(Cl)C(Cl)=C1 SY005064 [0,0,0,0,0,0|3,0,0]=3 20 B11R1.21 CC(O)C1=CC=C(F)C(Br)=C1 SY005066 [0,0,0,0,0,0|3,0,0]=3 21 B11R1.21 CC(O)C1=CC=C(F)C(F)=C1 SY005063 [0,0,0,0,0,0|3,0,0]=3 22 B11R1.21 CC1=C(Br)C=C([N+](=O)[O-])C=C1 SY007277 [0,0,0,0,0,0|4,0,0]=4 23 B11R1.21 CC1=CC(C(F)F)=CC=C1Br SY265881 [0,0,0,0,0,0|4,0,0]=4 24 B11R1.21 CC1=CC(C(F)F)=CC=C1F SY265841 [0,0,0,0,0,0|4,0,0]=4 25 B11R1.21 CC1=CC=C(B(O)O)C=C1C SY018103 [0,0,0,0,0,0|4,0,0]=4 26 B11R1.21 CC1=CC=C(B(O)O)C=C1Cl SY007911 [0,0,0,0,0,0|4,0,0]=4 27 B11R1.21 CC1=CC=C(B(O)O)C=C1F SY007913 [0,0,0,0,0,0|4,0,0]=4 28 B11R1.21 CC1=CC=C(B(O)O)C=C1N SY022542 [0,0,0,0,0,0|4,0,0]=4 29 B11R1.21 CC1=CC=C(B(O)O)C=C1O SY033404 [0,0,0,0,0,0|3,0,0]=3 30 B11R1.21 CC1=CC=C(C(=O)O)C=C1C SY001153 [0,0,0,0,0,0|3,0,1]=4 31 B11R1.21 CC1=CC=C(C(=O)O)C=C1Cl SY003397 [0,0,0,0,0,0|3,0,1]=4 32 B11R1.21 CC1=CC=C(C(=O)O)C=C1F SY013052 [0,0,0,0,0,0|3,0,1]=4 33 B11R1.21 CC1=CC=C(C(=O)O)C=C1I SY002748 [0,0,0,0,0,0|3,0,1]=4 34 B11R1.21 CC1=CC=C(C(=O)O)C=C1N SY001489 [0,0,0,0,0,0|3,0,1]=4 35 B11R1.21 CC1=CC=C(C(=O)O)C=C1O SY003068 [0,0,0,0,0,0|2,0,1]=3 36 B11R1.21 CC1=CC=C(C(F)F)C=C1Br SY265956 [0,0,0,0,0,0|3,0,0]=3 37 B11R1.21 CC1=CC=C(C(F)F)C=C1C SY265743 [0,0,0,0,0,0|3,0,0]=3 38 B11R1.21 CC1=CC=C(C(F)F)C=C1Cl SY266010 [0,0,0,0,0,0|3,0,0]=3 39 B11R1.21 CC1=CC=C(C(F)F)C=C1F SY265857 [0,0,0,0,0,0|3,0,0]=3 40 B11R1.21 CC1=CC=C([N+](=O)[O-])C=C1I SY029960 [0,0,0,0,0,0|4,0,0]=4 41 B11R1.21 CN(C)C1=CC=C(Br)C(I)=C1 SY288330 [0,0,0,0,0,0|3,0,0]=3 42 B11R1.21 CN(C)C1=CC=C(Br)C(N)=C1 SY288675 [0,0,0,0,0,0|3,0,0]=3 43 B11R1.21 CN(C)C1=CC=C(I)C(Br)=C1 SY288331 [0,0,0,0,0,0|3,0,0]=3 44 B11R1.21 FC(F)C1=CC=C(Br)C(Br)=C1 SY265990 [0,0,0,0,0,0|4,0,0]=4 45 B11R1.21 FC(F)C1=CC=C(Br)C(Cl)=C1 SY071240 [0,0,0,0,0,0|4,0,0]=4 46 B11R1.21 FC(F)C1=CC=C(Cl)C(Cl)=C1 SY265658 [0,0,0,0,0,0|4,0,0]=4 47 B11R1.21 NC(=O)C1=CC=C(Br)C(O)=C1 SY039306 [0,0,0,0,0,0|3,0,1]=4 48 B11R1.21 NC1=CC=C(C(=O)O)C=C1O SY018797 [0,0,0,0,0,0|3,0,1]=4 49 B11R1.21 O=C(O)C1=CC(O)=C(Br)C=C1 SY012255 [0,0,0,0,0,0|3,0,1]=4 50 B11R1.21 O=C(O)C1=CC=C(Cl)C(O)=C1 SY021851 [0,0,0,0,0,0|3,0,1]=4 51 B11R1.21 O=C(O)C1=CC=C(F)C(O)=C1 SY003002 [0,0,0,0,0,0|3,0,1]=4 52 B11R1.21 O=C(O)C1=CC=C(I)C(O)=C1 SY041688 [0,0,0,0,0,0|3,0,1]=4 53 B11R1.21 O=C(O)C1=CC=C(O)C(O)=C1 SY014104 [0,0,0,0,0,0|3,0,1]=4 54 B11R1.21 O=[N+]([O-])C1=CC=C(Br)C(O)=C1 SY019904 [0,0,0,0,0,0|4,0,0]=4 55 B11R1.21 O=[N+]([O-])C1=CC=C(Cl)C(O)=C1 SY003235 [0,0,0,0,0,0|4,0,0]=4 56 B11R1.21 O=[N+]([O-])C1=CC=C(F)C(O)=C1 SY007437 [0,0,0,0,0,0|4,0,0]=4 57 B11R1.21 O=[N+]([O-])C1=CC=C(O)C(O)=C1 SY045280 [0,0,0,0,0,0|4,0,0]=4 58 B11R1.21 OB(O)C1=CC(O)=C(F)C=C1 SY007719 [0,0,0,0,0,0|4,0,0]=4 59 B11R1.21 OB(O)C1=CC=C(Cl)C(O)=C1 SY030235 [0,0,0,0,0,0|4,0,0]=4 60 B11R1.21 OB(O)C1=CC=C(O)C(O)=C1 SY033406 [0,0,0,0,0,0|4,0,0]=4 61 B10R1.13 C1=CC(Cl)=CC=C1N(C)C SY246299 [1,0,0,0,0,0|2,0,0]=3 62 B10R1.13 C1=CC(F)=CC=C1N(C)C SY246298 [1,0,0,0,0,0|2,0,0]=3 63 B10R1.13 C=C(C)C1=CC=C(Br)C=C1 SY225322 [1,0,0,0,0,0|1,0,2]=4 64 B10R1.13 C=C(C)C1=CC=C(Cl)C=C1 SY048599 [1,0,0,0,0,0|1,0,2]=4 65 B10R1.13 C=C(C)C1=CC=C(F)C=C1 SY048549 [1,0,0,0,0,0|1,0,2]=4 66 B10R1.13 C=C(C)C1=CC=C(I)C=C1 SY225345 [1,0,0,0,0,0|1,0,2]=4 67 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 SY001458 [1,0,0,0,0,0|2,0,1]=4 68 B10R1.13 CC(=O)C1=CC=C(C)C=N1 SY005233 [1,0,0,0,0,0|2,0,1]=4 69 B10R1.13 CC(=O)C1=CC=C(C)N=C1 SY063969 [1,0,0,0,0,0|2,0,1]=4 70 B10R1.13 CC(=O)C1=CC=C(I)C=C1 SY011859 [1,0,0,0,0,0|2,0,1]=4 71 B10R1.13 CC(=O)C1=CC=C(N)C=C1 SY011145 [1,0,0,0,0,0|2,0,1]=4 72 B10R1.13 CC(=O)C1=CC=C(O)C=C1 SY009665 [1,0,0,0,0,0|2,0,1]=4 73 B10R1.13 CC(C)C1=CC=C(Br)C=C1 SY002711 [1,0,0,0,0,0|1,0,0]=2 74 B10R1.13 CC(Cl)C1=CC=C(F)C=C1 SY029740 [1,0,0,0,0,0|2,0,0]=3 75 B10R1.13 CC(N)C1=CC=C(Br)C=C1 SY020147 [1,0,0,0,0,0|2,0,0]=3 76 B10R1.13 CC(N)C1=CC=C(F)C=C1 SY002633 [1,0,0,0,0,0|2,0,0]=3 77 B10R1.13 CC(N)C1=CC=C(F)N=C1 SY249602 [1,0,0,0,0,0|3,0,0]=4 78 B10R1.13 CC(N)C1=NC=C(Br)C=C1 SY046404 [1,0,0,0,0,0|3,0,0]=4 79 B10R1.13 CC(O)C1=CC=C(Br)C=C1 SY005047 [1,0,0,0,0,0|2,0,0]=3 80 B10R1.13 CC(O)C1=CC=C(Cl)C=C1 SY005059 [1,0,0,0,0,0|2,0,0]=3 81 B10R1.13 CC(O)C1=CC=C(F)C=C1 SY005049 [1,0,0,0,0,0|2,0,0]=3 82 B10R1.13 CC1=CC=C(B(O)O)C=C1 SY002147 [1,0,0,0,0,0|3,0,0]=4 83 B10R1.13 CC1=CC=C(C(=O)O)C=C1 SY003713 [1,0,0,0,0,0|2,0,1]=4 84 B10R1.13 CC1=CC=C(C(C)N)C=C1 SY002631 [1,0,0,0,0,0|1,0,0]=2 85 B10R1.13 CC1=CC=C(C(C)O)C=C1 SY005050 [1,0,0,0,0,0|1,0,0]=2 86 B10R1.13 CC1=CC=C(C(F)F)C=C1 SY265627 [1,0,0,0,0,0|2,0,0]=3 87 B10R1.13 CC1=CC=C(S(=O)O)C=C1 SY113268 [1,0,0,0,0,0|3,0,0]=4 88 B10R1.13 CC1=CC=C(S(=O)[O-])C=C1 SY013741 [1,0,0,0,0,0|3,0,0]=4 89 B10R1.13 CC1=CC=C(S(N)=O)C=C1 SY261118 [1,0,0,0,0,0|3,0,0]=4 90 B10R1.13 CC1=CC=C([S@@](N)=O)C=C1 SY114833 [1,0,0,0,0,0|3,0,0]=4 91 B10R1.13 CC1=CN=C(C(F)F)C=C1 SY265896 [1,0,0,0,0,0|3,0,0]=4 92 B10R1.13 CC1=NC=C(C(F)F)C=C1 SY265924 [1,0,0,0,0,0|3,0,0]=4 93 B10R1.13 CN(C)C1=CC=C(Br)C=C1 SY013736 [1,0,0,0,0,0|2,0,0]=3 94 B10R1.13 CN(C)C1=CC=C(Cl)C=C1 SY027100 [1,0,0,0,0,0|2,0,0]=3 95 B10R1.13 CN(C)C1=NC=C(Br)C=C1 SY024322 [1,0,0,0,0,0|3,0,0]=4 96 B10R1.13 CN(C)C1=NC=C(I)C=C1 SY096673 [1,0,0,0,0,0|3,0,0]=4 97 B10R1.13 CS(=O)C1=CC=C(Br)C=C1 SY253160 [1,0,0,0,0,0|3,0,0]=4 98 B10R1.13 C[C@@H](N)C1=CC=C(Br)C=C1 SY009358 [1,0,0,0,0,0|2,0,0]=3 99 B10R1.13 C[C@@H](N)C1=CC=C(Br)C=C1 SY031357 [1,0,0,0,0,0|2,0,0]=3 100 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 SY007454 [1,0,0,0,0,0|2,0,0]=3 101 B10R1.13 C[C@@H](O)C1=CC=C(Br)C=C1 SY024772 [1,0,0,0,0,0|2,0,0]=3 102 B10R1.13 C[C@@H](O)C1=CC=C(Cl)C=C1 SY116631 [1,0,0,0,0,0|2,0,0]=3 103 B10R1.13 C[C@@H](O)C1=CC=C(F)C=C1 SY009324 [1,0,0,0,0,0|2,0,0]=3 104 B10R1.13 C[C@H](N)C1=CC=C(Br)C=C1 SY009349 [1,0,0,0,0,0|2,0,0]=3 105 B10R1.13 C[C@H](N)C1=CC=C(F)C=C1 SY007451 [1,0,0,0,0,0|2,0,0]=3 106 B10R1.13 C[C@H](O)C1=CC=C(Br)C=C1 SY024771 [1,0,0,0,0,0|2,0,0]=3 107 B10R1.13 C[C@H](O)C1=CC=C(F)C=C1 SY009323 [1,0,0,0,0,0|2,0,0]=3 108 B10R1.13 Cc1ccc(C(C)C)cc1 SY010591 [1,0,0,0,0,0|0,0,0]=1 109 B10R1.13 Cc1ccc(C(C)C)cc1 SY010592 [1,0,0,0,0,0|0,0,0]=1 110 B10R1.13 FC(F)C1=CC=C(Br)C=C1 SY041190 [1,0,0,0,0,0|3,0,0]=4 111 B10R1.13 FC1=CC=C(C(Cl)Cl)C=C1 SY036853 [1,0,0,0,0,0|3,0,0]=4 112 B10R1.13 NC1=CC=C(C(F)F)C=C1 SY265648 [1,0,0,0,0,0|3,0,0]=4 113 B10R1.113 C=C(C)C1=CC(C)=CC=C1 SY225337 [1,0,0,0,0,0|1,0,2]=4 114 B10R1.113 C=C(C)C1=CC=CC(Br)=C1 SY225323 [1,0,0,0,0,0|1,0,2]=4 115 B10R1.113 C=C(C)C1=CC=CC(Cl)=C1 SY225324 [1,0,0,0,0,0|1,0,2]=4 116 B10R1.113 CC(=O)C1=CC=CC(Br)=C1 SY001472 [1,0,0,0,0,0|2,0,1]=4 117 B10R1.113 CC(=O)C1=CC=CC(F)=C1 SY007259 [1,0,0,0,0,0|2,0,1]=4 118 B10R1.113 CC(=O)C1=CC=CC(I)=C1 SY109511 [1,0,0,0,0,0|2,0,1]=4 119 B10R1.113 CC(=O)C1=CC=CC(N)=C1 SY001475 [1,0,0,0,0,0|2,0,1]=4 120 B10R1.113 CC(=O)C1=CC=CC(O)=C1 SY004849 [1,0,0,0,0,0|1,0,1]=3 121 B10R1.113 CC(C)C1=CC(Br)=NC=C1 SY224430 [1,0,0,0,0,0|2,0,0]=3 122 B10R1.113 CC(C)C1=CC=CC(Br)=N1 SY006302 [1,0,0,0,0,0|2,0,0]=3 123 B10R1.113 CC(C)C1=CC=CC(N)=C1 SY005822 [1,0,0,0,0,0|1,0,0]=2 124 B10R1.113 CC(C)C1=CC=CC(N)=N1 SY006009 [1,0,0,0,0,0|2,0,0]=3 125 B10R1.113 CC(C)C1=NC(Cl)=NC=C1 SY023339 [1,0,0,0,0,0|3,0,0]=4 126 B10R1.113 CC(N)C1=CC(Br)=NC=C1 SY248318 [1,0,0,0,0,0|3,0,0]=4 127 B10R1.113 CC(N)C1=CC=CC(Br)=C1 SY023019 [1,0,0,0,0,0|2,0,0]=3 128 B10R1.113 CC(N)C1=CC=CC(Br)=C1 SY037546 [1,0,0,0,0,0|2,0,0]=3 129 B10R1.113 CC(N)C1=CC=CC(Cl)=C1 SY027082 [1,0,0,0,0,0|2,0,0]=3 130 B10R1.113 CC(O)C1=CC=CC(Br)=C1 SY005048 [1,0,0,0,0,0|2,0,0]=3 131 B10R1.113 CC(O)C1=CC=CC(Cl)=C1 SY005051 [1,0,0,0,0,0|2,0,0]=3 132 B10R1.113 CC(O)C1=CC=CC(O)=C1 SY005071 [1,0,0,0,0,0|1,0,0]=2 133 B10R1.113 CC(O)C1=NC=CC(Br)=C1 SY037352 [1,0,0,0,0,0|3,0,0]=4 134 B10R1.113 CC1=CC(C(F)F)=CC=C1 SY265638 [1,0,0,0,0,0|3,0,0]=4 135 B10R1.113 CN(C)C1=CC(O)=CC=C1 SY003817 [1,0,0,0,0,0|1,0,0]=2 136 B10R1.113 CN(C)C1=CC=CC(Br)=C1 SY101188 [1,0,0,0,0,0|2,0,0]=3 137 B10R1.113 CN(C)C1=CC=CC(I)=C1 SY290789 [1,0,0,0,0,0|2,0,0]=3 138 B10R1.113 CN(C)C1=CC=CC(N)=C1 SY010751 [1,0,0,0,0,0|2,0,0]=3 139 B10R1.113 CN(C)C1=CC=CC(N)=C1 SY044787 [1,0,0,0,0,0|2,0,0]=3 140 B10R1.113 CN(C)C1=NC=CC(Br)=C1 SY037279 [1,0,0,0,0,0|3,0,0]=4 141 B10R1.113 C[C@@H](N)C1=CC(F)=CC=C1 SY008725 [1,0,0,0,0,0|2,0,0]=3 142 B10R1.113 C[C@@H](N)C1=CC=CC(Br)=C1 SY110609 [1,0,0,0,0,0|2,0,0]=3 143 B10R1.113 C[C@@H](N)C1=CC=CC(Cl)=C1 SY239977 [1,0,0,0,0,0|2,0,0]=3 144 B10R1.113 C[C@@H](O)C1=CC=CC(Br)=C1 SY107032 [1,0,0,0,0,0|2,0,0]=3 145 B10R1.113 C[C@H](N)C1=CC=CC(Br)=C1 SY029286 [1,0,0,0,0,0|2,0,0]=3 146 B10R1.113 C[C@H](N)C1=CC=CC(Br)=C1 SY029288 [1,0,0,0,0,0|2,0,0]=3 147 B10R1.113 C[C@H](N)C1=CC=CC(Cl)=C1 SY258403 [1,0,0,0,0,0|2,0,0]=3 148 B10R1.113 FC(F)C1=CC=CC(Br)=C1 SY103994 [1,0,0,0,0,0|3,0,0]=4 149 B10R1.113 FC(F)C1=CC=CC(Cl)=C1 SY265663 [1,0,0,0,0,0|3,0,0]=4 150 B10R1.113 FC(F)C1=CC=CC(I)=C1 SY124950 [1,0,0,0,0,0|3,0,0]=4 151 B10R1.113 NC(=O)C1=CC(O)=CC=C1 SY004825 [1,0,0,0,0,0|2,0,1]=4 152 B10R1.113 OB(O)C1=CC(O)=CC=C1 SY003747 [1,0,0,0,0,0|3,0,0]=4 153 B10R1.176 C=CC1=CC=C(O)C(O)=C1 SY298155 [1,0,0,0,0,0|1,0,2]=4 154 B10R1.176 CC1=C(Br)C=C(C#N)C=C1 SY013763 [1,0,0,0,0,0|2,0,1]=4 155 B10R1.176 CC1=C(F)C=C(CO)C=N1 SY031725 [1,0,0,0,0,0|3,0,0]=4 156 B10R1.176 CC1=C(N)C=C(C#N)C=C1 SY018351 [1,0,0,0,0,0|2,0,1]=4 157 B10R1.176 CC1=CC(CO)=CC=C1Br SY025541 [1,0,0,0,0,0|3,0,0]=4 158 B10R1.176 CC1=CC=C(C#N)C=C1O SY030296 [1,0,0,0,0,0|1,0,1]=3 159 B10R1.176 CC1=CC=C(C=O)C=C1Br SY035903 [1,0,0,0,0,0|2,0,1]=4 160 B10R1.176 CC1=CC=C(C=O)C=C1C SY004808 [1,0,0,0,0,0|2,0,1]=4 161 B10R1.176 CC1=CC=C(C=O)C=C1Cl SY109951 [1,0,0,0,0,0|2,0,1]=4 162 B10R1.176 CC1=CC=C(C=O)C=C1F SY018906 [1,0,0,0,0,0|2,0,1]=4 163 B10R1.176 CC1=CC=C(CN)C=C1Br SY028613 [1,0,0,0,0,0|2,0,0]=3 164 B10R1.176 CC1=CC=C(CN)C=C1C SY002791 [1,0,0,0,0,0|2,0,0]=3 165 B10R1.176 CC1=CC=C(CO)C=C1Br SY030171 [1,0,0,0,0,0|2,0,0]=3 166 B10R1.176 CC1=CC=C(CO)C=C1C SY005661 [1,0,0,0,0,0|2,0,0]=3 167 B10R1.176 CC1=CC=C(NN)C=C1C SY013634 [1,0,0,0,0,0|3,0,0]=4 168 B10R1.176 CC1=CC=C(NN)C=C1Cl SY024669 [1,0,0,0,0,0|3,0,0]=4 169 B10R1.176 CC1=CC=C(ON)C=C1C SY282226 [1,0,0,0,0,0|3,0,0]=4 170 B10R1.176 CC1=CC=C(ON)C=C1C SY282227 [1,0,0,0,0,0|3,0,0]=4 171 B10R1.176 CC1=CC=C(ON)C=C1Cl SY282110 [1,0,0,0,0,0|3,0,0]=4 172 B10R1.176 CC1=CC=C(ON)C=C1Cl SY282111 [1,0,0,0,0,0|3,0,0]=4 173 B10R1.176 CC1=CC=C(ON)C=C1F SY282114 [1,0,0,0,0,0|3,0,0]=4 174 B10R1.176 CC1=CC=C(ON)C=C1F SY282115 [1,0,0,0,0,0|3,0,0]=4 175 B10R1.176 CC1=CN=C(CCl)C=C1N SY270525 [1,0,0,0,0,0|3,0,0]=4 176 B10R1.176 CC1=CN=C(CO)C=C1Br SY030242 [1,0,0,0,0,0|3,0,0]=4 177 B10R1.176 CC1=CN=C(CO)C=C1N SY238259 [1,0,0,0,0,0|3,0,0]=4 178 B10R1.176 CCC1=CC=C(N)C(Br)=C1 SY123282 [1,0,0,0,0,0|2,0,0]=3 179 B10R1.176 CNC1=CC=C(Br)C(Cl)=C1 SY238011 [1,0,0,0,0,0|3,0,0]=4 180 B10R1.176 COC1=CC(Br)=C(O)C=C1 SY018293 [1,0,0,0,0,0|3,0,0]=4 181 B10R1.176 COC1=CC(C)=C(Br)C=C1 SY009132 [1,0,0,0,0,0|3,0,0]=4 182 B10R1.176 COC1=CC(Cl)=C(Br)C=C1 SY013462 [1,0,0,0,0,0|3,0,0]=4 183 B10R1.176 COC1=CC(Cl)=C(O)C=C1 SY018292 [1,0,0,0,0,0|3,0,0]=4 184 B10R1.176 COC1=CC(N)=C(Br)C=C1 SY014318 [1,0,0,0,0,0|3,0,0]=4 185 B10R1.176 COC1=CC=C(Br)C(Br)=C1 SY040793 [1,0,0,0,0,0|3,0,0]=4 186 B10R1.176 COC1=CC=C(Br)C(F)=C1 SY018626 [1,0,0,0,0,0|3,0,0]=4 187 B10R1.176 COC1=CC=C(Br)C(O)=C1 SY019932 [1,0,0,0,0,0|2,0,0]=3 188 B10R1.176 COC1=CC=C(C)C(Br)=C1 SY027574 [1,0,0,0,0,0|2,0,0]=3 189 B10R1.176 COC1=CC=C(C)C(C)=C1 SY027665 [1,0,0,0,0,0|2,0,0]=3 190 B10R1.176 COC1=CC=C(C)C(Cl)=C1 SY031465 [1,0,0,0,0,0|2,0,0]=3 191 B10R1.176 COC1=CC=C(C)C(N)=C1 SY013870 [1,0,0,0,0,0|2,0,0]=3 192 B10R1.176 COC1=CC=C(C)C(O)=C1 SY047880 [1,0,0,0,0,0|1,0,0]=2 193 B10R1.176 COC1=CC=C(Cl)C(Br)=C1 SY017620 [1,0,0,0,0,0|3,0,0]=4 194 B10R1.176 COC1=CC=C(Cl)C(C)=C1 SY012336 [1,0,0,0,0,0|3,0,0]=4 195 B10R1.176 COC1=CC=C(Cl)C(Cl)=C1 SY235910 [1,0,0,0,0,0|3,0,0]=4 196 B10R1.176 COC1=CC=C(Cl)C(I)=C1 SY041742 [1,0,0,0,0,0|3,0,0]=4 197 B10R1.176 COC1=CC=C(Cl)C(N)=C1 SY008447 [1,0,0,0,0,0|3,0,0]=4 198 B10R1.176 COC1=CC=C(Cl)C(N)=C1 SY008448 [1,0,0,0,0,0|3,0,0]=4 199 B10R1.176 COC1=CC=C(F)C(Br)=C1 SY021984 [1,0,0,0,0,0|3,0,0]=4 200 B10R1.176 COC1=CC=C(F)C(C)=C1 SY016987 [1,0,0,0,0,0|3,0,0]=4 201 B10R1.176 COC1=CC=C(I)C(Br)=C1 SY041747 [1,0,0,0,0,0|3,0,0]=4 202 B10R1.176 COC1=CC=C(N)C(Br)=C1 SY046594 [1,0,0,0,0,0|3,0,0]=4 203 B10R1.176 COC1=CC=C(N)C(Cl)=C1 SY024403 [1,0,0,0,0,0|3,0,0]=4 204 B10R1.176 COC1=CC=C(N)C(F)=C1 SY030541 [1,0,0,0,0,0|3,0,0]=4 205 B10R1.176 COC1=CC=C(N)C(N)=C1 SY032808 [1,0,0,0,0,0|3,0,0]=4 206 B10R1.176 COC1=CC=C(N)C(O)=C1 SY019008 [1,0,0,0,0,0|2,0,0]=3 207 B10R1.176 COC1=CC=C(N)C(S)=C1 SY036295 [1,0,0,0,0,0|2,1,0]=4 208 B10R1.176 COC1=CC=C(O)C(N)=C1 SY035371 [1,0,0,0,0,0|3,0,0]=4 209 B10R1.176 CSC1=CC=C(F)C(Br)=C1 SY284841 [1,0,0,0,0,0|3,0,0]=4 210 B10R1.176 CSC1=NC=C(C)C(O)=N1 SY238220 [1,0,0,0,0,0|3,0,0]=4 211 B10R1.176 FC1=CC=C(CBr)C=C1Br SY021845 [1,0,0,0,0,0|3,0,0]=4 212 B10R1.176 N#CC1=CC=C(Br)C(O)=C1 SY028258 [1,0,0,0,0,0|2,0,1]=4 213 B10R1.176 N#CC1=CC=C(N)C(O)=C1 SY102836 [1,0,0,0,0,0|2,0,1]=4 214 B10R1.176 N#CC1=CC=C(O)C(O)=C1 SY001648 [1,0,0,0,0,0|2,0,1]=4 215 B10R1.176 NC1=CC(CO)=CC=C1Br SY208857 [1,0,0,0,0,0|3,0,0]=4 216 B10R1.176 NC1=CC(CO)=CC=C1Cl SY181541 [1,0,0,0,0,0|3,0,0]=4 217 B10R1.176 NC1=CC=C(C=O)C=C1O SY274222 [1,0,0,0,0,0|2,0,1]=4 218 B10R1.176 NCC1=CC(Cl)=C(Cl)C=C1 SY004246 [1,0,0,0,0,0|3,0,0]=4 219 B10R1.176 NCC1=CC=C(Br)C(F)=C1 SY070857 [1,0,0,0,0,0|3,0,0]=4 220 B10R1.176 NCC1=CC=C(Cl)C(Br)=C1 SY028630 [1,0,0,0,0,0|3,0,0]=4 221 B10R1.176 NCC1=CC=C(F)C(Br)=C1 SY033336 [1,0,0,0,0,0|3,0,0]=4 222 B10R1.176 NCC1=CC=C(F)C(Cl)=C1 SY003467 [1,0,0,0,0,0|3,0,0]=4 223 B10R1.176 NCC1=CC=C(O)C(F)=C1 SY296796 [1,0,0,0,0,0|3,0,0]=4 224 B10R1.176 O=CC1=CC=C(Cl)C(O)=C1 SY104928 [1,0,0,0,0,0|2,0,1]=4 225 B10R1.176 O=CC1=CC=C(O)C(O)=C1 SY001411 [1,0,0,0,0,0|2,0,1]=4 226 B10R1.176 OCC1=CC=C(Br)C(Cl)=C1 SY030332 [1,0,0,0,0,0|3,0,0]=4 227 B10R1.176 OCC1=CC=C(Br)C(F)=C1 SY041366 [1,0,0,0,0,0|3,0,0]=4 228 B10R1.176 OCC1=CC=C(Br)C(O)=C1 SY047299 [1,0,0,0,0,0|2,0,0]=3 229 B10R1.176 OCC1=CC=C(Cl)C(Br)=C1 SY024945 [1,0,0,0,0,0|3,0,0]=4 230 B10R1.176 OCC1=CC=C(Cl)C(F)=C1 SY032304 [1,0,0,0,0,0|3,0,0]=4 231 B10R1.176 OCC1=CC=C(F)C(Br)=C1 SY033285 [1,0,0,0,0,0|3,0,0]=4 232 B10R1.176 OCC1=CC=C(F)C(Cl)=C1 SY032303 [1,0,0,0,0,0|3,0,0]=4 233 B10R1.176 OCC1=CC=C(F)C(F)=C1 SY023668 [1,0,0,0,0,0|3,0,0]=4 234 B12R1.23 CC(C)(C)C1=CC(N)=C(O)C=C1 SY018795 [0,1,0,0,0,0|2,0,0]=3 235 B12R1.23 CC(C)(C)C1=CC=C(Br)C(Cl)=C1 SY102417 [0,1,0,0,0,0|2,0,0]=3 236 B12R1.23 CC(C)(C)C1=CC=C(N)C(Br)=C1 SY063902 [0,1,0,0,0,0|2,0,0]=3 237 B12R1.23 CC(C)(C)C1=CC=C(O)C(Br)=C1 SY032407 [0,1,0,0,0,0|2,0,0]=3 238 B12R1.23 CC1=CC=C(C(C)(C)C)C=C1C SY049883 [0,1,0,0,0,0|1,0,0]=2 239 B12R1.23 CC1=CC=C(C(F)(F)F)C=C1Br SY035110 [0,1,0,0,0,0|3,0,0]=4 240 B12R1.23 CC1=CC=C(C(F)(F)F)C=C1N SY032231 [0,1,0,0,0,0|3,0,0]=4 241 B12R1.23 CC1=CC=C(C(F)(F)F)C=C1O SY228685 [0,1,0,0,0,0|2,0,0]=3 242 B12R1.23 CC1=CC=C(S(C)(=O)=O)C=C1Br SY096694 [0,1,0,0,0,0|3,0,0]=4 243 B12R1.23 CC1=CC=C(S(C)(=O)=O)C=C1F SY007188 [0,1,0,0,0,0|3,0,0]=4 244 B12R1.23 CC1=CC=C(S(C)(=O)=O)C=C1N SY030782 [0,1,0,0,0,0|3,0,0]=4 245 B12R1.23 NC1=CC=C(C(F)(F)F)C=C1O SY239152 [0,1,0,0,0,0|3,0,0]=4 246 B12R1.23 OC1=CC(C(F)(F)F)=CC=C1Br SY021481 [0,1,0,0,0,0|3,0,0]=4 247 B12R1.48 CC(=O)C1=CC=C(CBr)C(Br)=C1 SY249415 [0,1,0,0,0,0|2,0,1]=4 248 B12R1.48 CC(=O)C1=CC=C(CO)C(Br)=C1 SY249416 [0,1,0,0,0,0|2,0,1]=4 249 B12R1.48 CC(C)C1=CC=C(C=O)C(O)=C1 SY027240 [0,1,0,0,0,0|0,0,1]=2 250 B12R1.48 CN(C)C1=CC=C(C=O)C(O)=C1 SY029359 [0,1,0,0,0,0|1,0,1]=3 251 B12R1.48 COC1=C(Br)C=C(C(C)=O)C=C1 SY019705 [0,1,0,0,0,0|2,0,1]=4 252 B12R1.48 COC1=CC=C(C(=O)O)C=C1O SY001558 [0,1,0,0,0,0|2,0,1]=4 253 B12R1.48 COC1=CC=C(C(C)=O)C=C1F SY007295 [0,1,0,0,0,0|2,0,1]=4 254 B12R1.48 COC1=CC=C(C(C)=O)C=C1O SY023193 [0,1,0,0,0,0|1,0,1]=3 255 B12R1.48 COC1=CC=C(C(F)F)C=C1Br SY265813 [0,1,0,0,0,0|3,0,0]=4 256 B12R1.48 COC1=CC=C(C(F)F)C=C1C SY265886 [0,1,0,0,0,0|3,0,0]=4 257 B12R1.48 COC1=CC=C(C(F)F)C=C1F SY265739 [0,1,0,0,0,0|3,0,0]=4 258 B12R1.48 COC1=CC=C([N+](=O)[O-])C=C1O SY017638 [0,1,0,0,0,0|3,0,0]=4 259 B12R1.56 COC1=CC(B(O)O)=CC=C1C SY110376 [0,1,0,0,0,0|3,0,0]=4 260 B12R1.56 COC1=CC(C(=O)O)=CC=C1C SY005692 [0,1,0,0,0,0|2,0,1]=4 261 B12R1.56 COC1=CC(C(C)=O)=CC=C1Br SY035677 [0,1,0,0,0,0|2,0,1]=4 262 B12R1.56 COC1=CC(C(F)F)=CC=C1Br SY265977 [0,1,0,0,0,0|3,0,0]=4 263 B12R1.56 COC1=CC(C(F)F)=CC=C1Cl SY265893 [0,1,0,0,0,0|3,0,0]=4 264 B12R1.56 COC1=CC(C(F)F)=CC=C1F SY265706 [0,1,0,0,0,0|3,0,0]=4 265 B12R1.56 COC1=CC([N+](=O)[O-])=CC=C1C SY008149 [0,1,0,0,0,0|3,0,0]=4 266 B12R1.232 CC1=CC(F)=C([N+](=O)[O-])C=C1O SY036015 [0,1,0,0,0,0|3,0,0]=4 267 B12R1.367 COC(=O)C1=CC(I)=C(C)C=C1 SY012267 [0,1,0,0,0,0|2,0,1]=4 268 B12R1.367 COC(=O)C1=CC(O)=C(N)C=C1 SY015994 [0,1,0,0,0,0|2,0,1]=4 269 B12R1.367 COC(=O)C1=CC(O)=C(O)C=C1 SY016131 [0,1,0,0,0,0|2,0,1]=4 270 B12R1.367 COC(=O)C1=CC=C(Br)C(O)=C1 SY034465 [0,1,0,0,0,0|2,0,1]=4 271 B12R1.367 COC(=O)C1=CC=C(C)C(Br)=C1 SY007622 [0,1,0,0,0,0|2,0,1]=4 272 B12R1.367 COC(=O)C1=CC=C(C)C(Cl)=C1 SY003376 [0,1,0,0,0,0|2,0,1]=4 273 B12R1.367 COC(=O)C1=CC=C(C)C(F)=C1 SY030649 [0,1,0,0,0,0|2,0,1]=4 274 B12R1.367 COC(=O)C1=CC=C(C)C(N)=C1 SY003661 [0,1,0,0,0,0|2,0,1]=4 275 B12R1.367 COC(=O)C1=CC=C(Cl)C(O)=C1 SY023753 [0,1,0,0,0,0|2,0,1]=4 276 B12R1.367 COC(=O)C1=CC=C(I)C(O)=C1 SY110541 [0,1,0,0,0,0|2,0,1]=4 277 B12R1.367 N[C@H](CO)C1=CC=C(F)C(Cl)=C1 SY253691 [0,1,0,0,0,0|3,0,0]=4 278 B12R1.367 O=C(CCl)C1=CC=C(O)C(O)=C1 SY049311 [0,1,0,0,0,0|2,0,1]=4 279 B12R2.291 CC1=CC(C2CC2)=CC=C1Cl SY264054 [0,0,0,1,0,0|2,0,0]=3 280 B12R2.291 CC1=CC(C2CC2)=CC=C1F SY263984 [0,0,0,1,0,0|2,0,0]=3 281 B12R2.291 CC1=CC(C2CC2)=CC=C1N SY199714 [0,0,0,1,0,0|2,0,0]=3 282 B12R2.291 CC1=CC=C(C2CC2)C=C1C SY263869 [0,0,0,1,0,0|1,0,0]=2 283 B12R2.291 CC1=CC=C(C2CC2)C=C1Cl SY263994 [0,0,0,1,0,0|1,0,0]=2 284 B12R2.291 CC1=CC=C(C2CC2)C=C1F SY263872 [0,0,0,1,0,0|1,0,0]=2 285 B12R2.291 CC1=CC=C(C2CC2)C=C1N SY264031 [0,0,0,1,0,0|1,0,0]=2 286 B12R2.291 ClC1=CC=C(C2CC2)C=C1Cl SY264093 [0,0,0,1,0,0|2,0,0]=3 287 B12R2.291 FC1=CC(C2CC2)=CC=C1Cl SY264057 [0,0,0,1,0,0|2,0,0]=3 288 B12R2.291 FC1=CC=C(C2CC2)C=C1Cl SY263936 [0,0,0,1,0,0|2,0,0]=3 289 B12R2.291 FC1=CC=C(C2CC2)C=C1F SY263939 [0,0,0,1,0,0|2,0,0]=3 290 B12R2.291 FC1=CC=C(C2CO2)C=C1F SY032641 [0,0,0,1,0,0|3,0,0]=4 291 B12R2.291 NC1=CC(C2CC2)=CC=C1F SY263929 [0,0,0,1,0,0|2,0,0]=3 292 B12R2.291 NC1=CC=C(C2CC2)C=C1Cl SY263864 [0,0,0,1,0,0|2,0,0]=3 293 B12R2.291 NC1=CC=C(C2CC2)C=C1F SY249480 [0,0,0,1,0,0|2,0,0]=3 294 B12R2.291 NC1=CC=C(C2CC2)C=C1N SY263858 [0,0,0,1,0,0|2,0,0]=3 295 B12R1.19 CC(=O)NC1=CC=C(C)C(I)=C1 SY246514 [0,0,0,0,0,1|2,0,1]=4 296 B9R1.1 CC1=CC=C(ON)C=C1 SY282046 [2,0,0,0,0,0|2,0,0]=4 297 B9R1.1 CC1=CC=C(ON)C=C1 SY282047 [2,0,0,0,0,0|2,0,0]=4 298 B9R1.1 CC1=CN=C(CBr)C=C1 SY253141 [2,0,0,0,0,0|2,0,0]=4 299 B9R1.1 CC1=CN=C(CN)C=C1 SY032973 [2,0,0,0,0,0|2,0,0]=4 300 B9R1.1 CC1=CN=C(CO)C=C1 SY025498 [2,0,0,0,0,0|2,0,0]=4 301 B9R1.1 CC1=NC=C(CN)C=C1 SY034719 [2,0,0,0,0,0|2,0,0]=4 302 B9R1.1 CC1=NC=C(CO)C=C1 SY028280 [2,0,0,0,0,0|2,0,0]=4 303 B9R1.1 CCC1=CC=C(C)C=C1 SY035727 [2,0,0,0,0,0|0,0,0]=2 304 B9R1.1 CCC1=CC=C(I)C=C1 SY101013 [2,0,0,0,0,0|1,0,0]=3 305 B9R1.1 CCC1=CC=C(N)C=C1 SY012867 [2,0,0,0,0,0|1,0,0]=3 306 B9R1.1 CCC1=CN=C(N)C=C1 SY025370 [2,0,0,0,0,0|2,0,0]=4 307 B9R1.1 CCC1=NC=C(Br)C=C1 SY096806 [2,0,0,0,0,0|2,0,0]=4 308 B9R1.1 CNC1=CC=C(Br)C=C1 SY050556 [2,0,0,0,0,0|2,0,0]=4 309 B9R1.1 COC1=CC=C(Cl)C=C1 SY005701 [2,0,0,0,0,0|2,0,0]=4 310 B9R1.1 COC1=CC=C(I)C=C1 SY001036 [2,0,0,0,0,0|2,0,0]=4 311 B9R1.1 COC1=NC=C(C)C=C1 SY030140 [2,0,0,0,0,0|2,0,0]=4 312 B9R1.1 NC1=CC=C(CO)C=C1 SY015076 [2,0,0,0,0,0|2,0,0]=4 313 B9R1.1 NCC1=CC=C(I)C=C1 SY050233 [2,0,0,0,0,0|2,0,0]=4 314 B9R1.1 NCC1=CC=C(N)C=C1 SY058286 [2,0,0,0,0,0|2,0,0]=4 315 B9R1.1 NCC1=CC=C(O)C=C1 SY026754 [2,0,0,0,0,0|2,0,0]=4 316 B9R1.1 OCC1=CC=C(Br)C=C1 SY006440 [2,0,0,0,0,0|2,0,0]=4 317 B9R1.1 OCC1=CC=C(Cl)C=C1 SY001234 [2,0,0,0,0,0|2,0,0]=4 318 B9R1.1 OCC1=CC=C(F)C=C1 SY006438 [2,0,0,0,0,0|2,0,0]=4 319 B9R1.1 OCC1=CC=C(I)C=C1 SY019171 [2,0,0,0,0,0|2,0,0]=4 320 B9R1.1 OCC1=CC=C(O)C=C1 SY003753 [2,0,0,0,0,0|2,0,0]=4 321 B9R1.6 CC(C)C1=CC=CCC1 SY292102 [2,0,0,0,0,0|0,0,2]=4 322 B9R1.6 CC(C)C1=CCCC=C1 SY292103 [2,0,0,0,0,0|0,0,2]=4 323 B9R1.6 CC(N)C1=CC=CN=C1 SY005518 [2,0,0,0,0,0|2,0,0]=4 324 B9R1.6 CC(N)C1=CC=NC=C1 SY005514 [2,0,0,0,0,0|2,0,0]=4 325 B9R1.6 CC(N)C1=NC=CC=C1 SY005425 [2,0,0,0,0,0|2,0,0]=4 326 B9R1.6 CC(N)C1=NC=CC=C1 SY023696 [2,0,0,0,0,0|2,0,0]=4 327 B9R1.6 CC(O)C1=CC=CN=C1 SY006085 [2,0,0,0,0,0|2,0,0]=4 328 B9R1.6 CC(O)C1=CC=NC=C1 SY006084 [2,0,0,0,0,0|2,0,0]=4 329 B9R1.6 CC(O)C1=NC=CC=C1 SY004070 [2,0,0,0,0,0|2,0,0]=4 330 B9R1.6 C[C@@H](N)C1=CC=CN=C1 SY105422 [2,0,0,0,0,0|2,0,0]=4 331 B9R1.6 C[C@@H](N)C1=CC=NC=C1 SY011547 [2,0,0,0,0,0|2,0,0]=4 332 B9R1.6 C[C@@H](N)C1=CC=NC=C1 SY253760 [2,0,0,0,0,0|2,0,0]=4 333 B9R1.6 C[C@@H](N)C1=NC=CC=C1 SY016895 [2,0,0,0,0,0|2,0,0]=4 334 B9R1.6 C[C@@H](O)C1=CC=CC=C1 SY007833 [2,0,0,0,0,0|1,0,0]=3 335 B9R1.6 C[C@@H](O)C1=CN=CC=C1 SY008212 [2,0,0,0,0,0|2,0,0]=4 336 B9R1.6 C[C@@H](O)C1=NC=CC=C1 SY009224 [2,0,0,0,0,0|2,0,0]=4 337 B9R1.6 C[C@H](N)C1=CC=CN=C1 SY033903 [2,0,0,0,0,0|2,0,0]=4 338 B9R1.6 C[C@H](N)C1=CC=NC=C1 SY011546 [2,0,0,0,0,0|2,0,0]=4 339 B9R1.6 C[C@H](N)C1=NC=CC=C1 SY010698 [2,0,0,0,0,0|2,0,0]=4 340 B9R1.6 C[C@H](O)C1=CN=CC=C1 SY008211 [2,0,0,0,0,0|2,0,0]=4 341 B9R1.6 FC(F)C1=CC=CC=C1 SY024386 [2,0,0,0,0,0|2,0,0]=4 342 B9R1.2 C#CC1=CC=CC(O)=C1 SY036896 [2,0,0,0,0,0|0,0,2]=4 343 B9R1.2 CC1=CC(CO)=CC=C1 SY049022 [2,0,0,0,0,0|2,0,0]=4 344 B9R1.2 CC1=CC=CC(CN)=C1 SY004247 [2,0,0,0,0,0|2,0,0]=4 345 B9R1.2 CCC1=CC(Br)=CC=C1 SY025138 [2,0,0,0,0,0|1,0,0]=3 346 B9R1.2 CCC1=CC(N)=CC=C1 SY002616 [2,0,0,0,0,0|1,0,0]=3 347 B9R1.2 CCC1=CC=NC(N)=C1 SY008921 [2,0,0,0,0,0|2,0,0]=4 348 B9R1.2 CCC1=NC(C)=CC=C1 SY046027 [2,0,0,0,0,0|2,0,0]=4 349 B9R1.2 CCC1=NC=CC(N)=C1 SY026184 [2,0,0,0,0,0|2,0,0]=4 350 B9R1.2 CNC1=CC=CC(Br)=C1 SY104448 [2,0,0,0,0,0|2,0,0]=4 351 B9R1.2 CNC1=CC=CC(Cl)=C1 SY048376 [2,0,0,0,0,0|2,0,0]=4 352 B9R1.2 COC1=CC(Cl)=CC=C1 SY009231 [2,0,0,0,0,0|2,0,0]=4 353 B9R1.2 COC1=CC=CC(Br)=C1 SY002244 [2,0,0,0,0,0|2,0,0]=4 354 B9R1.2 COC1=CC=CC(I)=C1 SY027986 [2,0,0,0,0,0|2,0,0]=4 355 B9R1.2 COC1=CN=CC(O)=C1 SY004014 [2,0,0,0,0,0|2,0,0]=4 356 B9R1.2 COC1=NC=CC(O)=C1 SY035360 [2,0,0,0,0,0|2,0,0]=4 357 B9R1.2 CSC1=CC(N)=CC=C1 SY001852 [2,0,0,0,0,0|2,0,0]=4 358 B9R1.2 N#CC1=CC=CC(O)=C1 SY008438 [2,0,0,0,0,0|1,0,1]=4 359 B9R1.2 NC1=CC=CC(CF)=C1 SY026432 [2,0,0,0,0,0|2,0,0]=4 360 B9R1.2 NC1=CC=CC(CO)=C1 SY015453 [2,0,0,0,0,0|2,0,0]=4 361 B9R1.2 NCC1=CC(I)=CC=C1 SY008850 [2,0,0,0,0,0|2,0,0]=4 362 B9R1.2 NCC1=CC=CC(Br)=C1 SY004245 [2,0,0,0,0,0|2,0,0]=4 363 B9R1.2 NCC1=CC=CC(O)=C1 SY005415 [2,0,0,0,0,0|1,0,0]=3 364 B9R1.2 O=CC1=CC=CC(O)=C1 SY001091 [2,0,0,0,0,0|1,0,1]=4 365 B9R1.2 OCC1=CC=CC(Br)=C1 SY004527 [2,0,0,0,0,0|2,0,0]=4 366 B9R1.2 OCC1=CC=CC(F)=C1 SY008446 [2,0,0,0,0,0|2,0,0]=4 367 B9R1.2 OCC1=CC=CC(I)=C1 SY049751 [2,0,0,0,0,0|2,0,0]=4 368 B9R1.2 OCC1=CC=CC(O)=C1 SY006445 [2,0,0,0,0,0|1,0,0]=3 369 B9R1.69 CC1=C(F)C=C(Br)C=C1 SY004432 [2,0,0,0,0,0|2,0,0]=4 370 B9R1.69 CC1=C(F)C=C(O)C=C1 SY019309 [2,0,0,0,0,0|2,0,0]=4 371 B9R1.69 CC1=C(O)C=C(N)C=C1 SY007529 [2,0,0,0,0,0|1,0,0]=3 372 B9R1.69 CC1=CC(Br)=C(C)C=C1 SY005952 [2,0,0,0,0,0|1,0,0]=3 373 B9R1.69 CC1=CC(Br)=C(F)C=C1 SY016043 [2,0,0,0,0,0|2,0,0]=4 374 B9R1.69 CC1=CC(C)=C(I)C=C1 SY017104 [2,0,0,0,0,0|2,0,0]=4 375 B9R1.69 CC1=CC(F)=C(I)C=C1 SY020670 [2,0,0,0,0,0|2,0,0]=4 376 B9R1.69 CC1=CC(N)=C(Br)C=C1 SY019865 [2,0,0,0,0,0|2,0,0]=4 377 B9R1.69 CC1=CC(N)=C(Cl)C=C1 SY018334 [2,0,0,0,0,0|2,0,0]=4 378 B9R1.69 CC1=CC(O)=C(F)C=C1 SY020674 [2,0,0,0,0,0|1,0,0]=3 379 B9R1.69 CC1=CC(O)=C(N)C=C1 SY018794 [2,0,0,0,0,0|1,0,0]=3 380 B9R1.69 CC1=CC=C(Br)C(Br)=C1 SY016350 [2,0,0,0,0,0|2,0,0]=4 381 B9R1.69 CC1=CC=C(Br)C(Cl)=C1 SY017742 [2,0,0,0,0,0|2,0,0]=4 382 B9R1.69 CC1=CC=C(Br)C(I)=C1 SY051407 [2,0,0,0,0,0|2,0,0]=4 383 B9R1.69 CC1=CC=C(Br)C(O)=C1 SY020550 [2,0,0,0,0,0|1,0,0]=3 384 B9R1.69 CC1=CC=C(Br)C=C1Br SY018606 [2,0,0,0,0,0|2,0,0]=4 385 B9R1.69 CC1=CC=C(Br)C=C1Cl SY016937 [2,0,0,0,0,0|2,0,0]=4 386 B9R1.69 CC1=CC=C(Br)C=C1I SY040791 [2,0,0,0,0,0|2,0,0]=4 387 B9R1.69 CC1=CC=C(Br)C=C1N SY017942 [2,0,0,0,0,0|2,0,0]=4 388 B9R1.69 CC1=CC=C(Br)C=C1O SY018453 [2,0,0,0,0,0|1,0,0]=3 389 B9R1.69 CC1=CC=C(C)C(Cl)=C1 SY053924 [2,0,0,0,0,0|1,0,0]=3 390 B9R1.69 CC1=CC=C(C)C(Cl)=N1 SY026988 [2,0,0,0,0,0|2,0,0]=4 391 B9R1.69 CC1=CC=C(C)C(N)=N1 SY011904 [2,0,0,0,0,0|2,0,0]=4 392 B9R1.69 CC1=CC=C(Cl)C(Br)=C1 SY017112 [2,0,0,0,0,0|2,0,0]=4 393 B9R1.69 CC1=CC=C(Cl)C(F)=C1 SY013910 [2,0,0,0,0,0|2,0,0]=4 394 B9R1.69 CC1=CC=C(Cl)C=C1Br SY017003 [2,0,0,0,0,0|2,0,0]=4 395 B9R1.69 CC1=CC=C(Cl)C=C1I SY106563 [2,0,0,0,0,0|2,0,0]=4 396 B9R1.69 CC1=CC=C(F)C(C)=C1 SY157707 [2,0,0,0,0,0|2,0,0]=4 397 B9R1.69 CC1=CC=C(F)C=C1Br SY014389 [2,0,0,0,0,0|2,0,0]=4 398 B9R1.69 CC1=CC=C(I)C(Br)=C1 SY014476 [2,0,0,0,0,0|2,0,0]=4 399 B9R1.69 CC1=CC=C(I)C(N)=C1 SY030137 [2,0,0,0,0,0|2,0,0]=4 400 B9R1.69 CC1=CC=C(I)C=C1Br SY017795 [2,0,0,0,0,0|2,0,0]=4 401 B9R1.69 CC1=CC=C(I)C=C1C SY029574 [2,0,0,0,0,0|2,0,0]=4 402 B9R1.69 CC1=CC=C(I)C=C1Cl SY017060 [2,0,0,0,0,0|2,0,0]=4 403 B9R1.69 CC1=CC=C(I)C=C1F SY013795 [2,0,0,0,0,0|2,0,0]=4 404 B9R1.69 CC1=CC=C(I)C=C1N SY019034 [2,0,0,0,0,0|2,0,0]=4 405 B9R1.69 CC1=CC=C(N)C(I)=C1 SY039927 [2,0,0,0,0,0|2,0,0]=4 406 B9R1.69 CC1=CC=C(N)C=C1F SY013813 [2,0,0,0,0,0|2,0,0]=4 407 B9R1.69 CC1=CC=C(N)C=C1I SY051359 [2,0,0,0,0,0|2,0,0]=4 408 B9R1.69 CC1=CC=C(O)C(Br)=C1 SY049117 [2,0,0,0,0,0|2,0,0]=4 409 B9R1.69 CC1=CC=C(O)C(I)=C1 SY041376 [2,0,0,0,0,0|2,0,0]=4 410 B9R1.69 CC1=CC=C(O)C(O)=C1 SY012747 [2,0,0,0,0,0|1,0,0]=3 411 B9R1.69 CC1=CC=C(O)C=C1Br SY020683 [2,0,0,0,0,0|2,0,0]=4 412 B9R1.69 CC1=CC=C(O)C=C1O SY110464 [2,0,0,0,0,0|1,0,0]=3 413 B9R1.69 CC1=CN=C(Cl)C(O)=C1 SY105265 [2,0,0,0,0,0|2,0,0]=4 414 B9R1.69 NC1=CC=C(Br)C=C1O SY015267 [2,0,0,0,0,0|2,0,0]=4 415 B9R1.69 NC1=CC=C(F)C=C1O SY013461 [2,0,0,0,0,0|2,0,0]=4 416 B9R1.69 NC1=CC=C(O)C(O)=C1 SY025949 [2,0,0,0,0,0|2,0,0]=4 417 B9R1.69 NC1=CC=C(O)C=C1O SY028098 [2,0,0,0,0,0|2,0,0]=4 418 B9R1.69 OC1=C(Cl)C=CC(Br)=C1 SY023167 [2,0,0,0,0,0|2,0,0]=4 419 B9R1.69 OC1=C(F)C=CC(Cl)=C1 SY014480 [2,0,0,0,0,0|2,0,0]=4 420 B9R1.69 OC1=C(F)C=CC(F)=C1 SY007690 [2,0,0,0,0,0|2,0,0]=4 421 B9R1.69 OC1=C(O)C=C(Br)C=C1 SY007482 [2,0,0,0,0,0|2,0,0]=4 422 B9R1.69 OC1=CC(Br)=CC=C1Br SY020442 [2,0,0,0,0,0|2,0,0]=4 423 B9R1.69 OC1=CC(Br)=CC=C1F SY008148 [2,0,0,0,0,0|2,0,0]=4 424 B9R1.69 OC1=CC(Br)=CC=C1I SY029590 [2,0,0,0,0,0|2,0,0]=4 425 B9R1.69 OC1=CC(Cl)=CC=C1Br SY024323 [2,0,0,0,0,0|2,0,0]=4 426 B9R1.69 OC1=CC(Cl)=CC=C1I SY041422 [2,0,0,0,0,0|2,0,0]=4 427 B9R1.69 OC1=CC(F)=CC=C1Cl SY022945 [2,0,0,0,0,0|2,0,0]=4 428 B9R1.69 OC1=CC(I)=CC=C1Br SY020343 [2,0,0,0,0,0|2,0,0]=4 429 B9R1.69 OC1=CC(I)=CC=C1Cl SY026861 [2,0,0,0,0,0|2,0,0]=4 430 B9R1.69 OC1=CC(O)=C(O)C=C1 SY004215 [2,0,0,0,0,0|2,0,0]=4 431 B9R1.69 OC1=CC=C(Br)C(O)=C1 SY019114 [2,0,0,0,0,0|2,0,0]=4 432 B9R1.69 OC1=CC=C(Cl)C(O)=C1 SY026641 [2,0,0,0,0,0|2,0,0]=4 433 B9R1.69 OC1=CC=C(F)C(O)=C1 SY027081 [2,0,0,0,0,0|2,0,0]=4 434 B9R1.69 OC1=CC=C(F)C=C1O SY024937 [2,0,0,0,0,0|2,0,0]=4 435 B11R1.3 C#CC1=CC=C(N(C)C)C=C1 SY101325 [1,1,0,0,0,0|1,0,1]=4 436 B11R1.3 C=C(C)C1=CC=C(OC)C=C1 SY204715 [1,1,0,0,0,0|0,0,2]=4 437 B11R1.3 C=CC1=CC=C(N(C)C)C=C1 SY019506 [1,1,0,0,0,0|1,0,1]=4 438 B11R1.3 CC(=O)C1=CC=C(CBr)C=C1 SY039033 [1,1,0,0,0,0|1,0,1]=4 439 B11R1.3 CC(C)C1=CC=C(NN)C=C1 SY011417 [1,1,0,0,0,0|1,0,0]=3 440 B11R1.3 CC(C)C1=CC=C(ON)C=C1 SY282101 [1,1,0,0,0,0|1,0,0]=3 441 B11R1.3 CC(C)C1=CC=C(ON)C=C1 SY282102 [1,1,0,0,0,0|1,0,0]=3 442 B11R1.3 CCC1=CC=C(C(C)=O)C=C1 SY049093 [1,1,0,0,0,0|1,0,1]=4 443 B11R1.3 CN(C)C1=CC=C(C#N)C=C1 SY011434 [1,1,0,0,0,0|1,0,1]=4 444 B11R1.3 CN(C)C1=CC=C(CN)C=C1 SY002797 [1,1,0,0,0,0|1,0,0]=3 445 B11R1.3 COC1=CC=C(C(C)N)C=C1 SY003775 [1,1,0,0,0,0|1,0,0]=3 446 B11R1.3 COC1=CC=C(C(C)N)C=C1 SY005337 [1,1,0,0,0,0|1,0,0]=3 447 B11R1.3 COC1=CC=C(C(F)F)C=C1 SY265653 [1,1,0,0,0,0|2,0,0]=4 448 B11R1.3 COC1=CC=C([C@@H](C)N)C=C1 SY020344 [1,1,0,0,0,0|1,0,0]=3 449 B11R1.3 COC1=CC=C([C@@H](C)O)C=C1 SY114791 [1,1,0,0,0,0|1,0,0]=3 450 B11R1.3 COC1=CC=C([C@H](C)N)C=C1 SY030476 [1,1,0,0,0,0|1,0,0]=3 451 B11R1.3 COC1=CC=C([C@H](C)O)C=C1 SY194794 [1,1,0,0,0,0|1,0,0]=3 452 B11R1.3 C[C@@H](N)C1=CC=C(CO)C=C1 SY259141 [1,1,0,0,0,0|1,0,0]=3 453 B11R1.3 C[C@@H](O)C1=CC=C(C#N)C=C1 SY269304 [1,1,0,0,0,0|1,0,1]=4 454 B11R1.19 CC(C)(Br)C1=CC=C(Br)C=C1 SY251002 [1,1,0,0,0,0|1,0,0]=3 455 B11R1.19 CC(C)(C)C1=CC=C(Br)C=C1 SY010478 [1,1,0,0,0,0|1,0,0]=3 456 B11R1.19 CC(C)(C)C1=CC=C(I)C=C1 SY019191 [1,1,0,0,0,0|1,0,0]=3 457 B11R1.19 CC(C)(C)C1=CC=C(N)C=C1 SY004366 [1,1,0,0,0,0|1,0,0]=3 458 B11R1.19 CC(C)(C)C1=NC=C(Br)C=C1 SY128727 [1,1,0,0,0,0|2,0,0]=4 459 B11R1.19 CC(C)(F)C1=CN=C(Br)C=C1 SY128733 [1,1,0,0,0,0|2,0,0]=4 460 B11R1.19 CC(C)(F)C1=NC=C(Br)C=C1 SY128735 [1,1,0,0,0,0|2,0,0]=4 461 B11R1.19 CC(C)(N)C1=CC=C(Br)C=C1 SY038775 [1,1,0,0,0,0|1,0,0]=3 462 B11R1.19 CC(C)(N)C1=CC=C(F)C=C1 SY185215 [1,1,0,0,0,0|1,0,0]=3 463 B11R1.19 CC(C)(O)C1=CC=C(Br)C=C1 SY036029 [1,1,0,0,0,0|1,0,0]=3 464 B11R1.19 CC(C)(O)C1=CC=C(Br)N=C1 SY096815 [1,1,0,0,0,0|2,0,0]=4 465 B11R1.19 CC(C)(O)C1=CC=C(Cl)N=C1 SY146794 [1,1,0,0,0,0|2,0,0]=4 466 B11R1.19 CC(C)(O)C1=CC=C(N)N=C1 SY252867 [1,1,0,0,0,0|2,0,0]=4 467 B11R1.19 CC(C)(O)C1=CC=C(O)C=C1 SY272686 [1,1,0,0,0,0|1,0,0]=3 468 B11R1.19 CC(C)(O)C1=NC=C(Br)C=C1 SY037447 [1,1,0,0,0,0|2,0,0]=4 469 B11R1.19 CC(F)(F)C1=CC=C(Br)C=C1 SY035975 [1,1,0,0,0,0|2,0,0]=4 470 B11R1.19 CC1=CC=C(S(C)(=O)=O)C=C1 SY002922 [1,1,0,0,0,0|2,0,0]=4 471 B11R1.19 CC1=CC=C(S(C)(=O)=O)C=C1 SY009681 [1,1,0,0,0,0|2,0,0]=4 472 B11R1.19 C[Si](C)(C)C1=CC=C(Br)C=C1 SY045941 [1,1,0,0,0,0|1,1,0]=4 473 B11R1.19 C[Si](C)(C)C1=CC=C(Cl)C=C1 SY248710 [1,1,0,0,0,0|1,1,0]=4 474 B11R1.22 C#CC(O)C1=CC=C(C)C=C1 SY045244 [1,1,0,0,0,0|1,0,1]=4 475 B11R1.22 CC1=CC=C(C(=O)CBr)C=C1 SY022605 [1,1,0,0,0,0|1,0,1]=4 476 B11R1.22 CC1=CC=C(C(=O)CO)C=C1 SY026844 [1,1,0,0,0,0|1,0,1]=4 477 B11R1.22 CCC(=O)C1=CC=C(C)C=C1 SY049111 [1,1,0,0,0,0|1,0,1]=4 478 B11R1.22 NC(CO)C1=CC=C(F)C=C1 SY047985 [1,1,0,0,0,0|2,0,0]=4 479 B11R1.22 NCC(O)C1=CC=C(O)C=C1 SY039785 [1,1,0,0,0,0|2,0,0]=4 480 B11R1.22 N[C@@H](CO)C1=CC=C(Br)C=C1 SY121979 [1,1,0,0,0,0|2,0,0]=4 481 B11R1.22 N[C@@H](CO)C1=CC=C(F)C=C1 SY111431 [1,1,0,0,0,0|2,0,0]=4 482 B11R1.22 N[C@H](CO)C1=CC=C(Cl)C=C1 SY212721 [1,1,0,0,0,0|2,0,0]=4 483 B11R1.166 CC(=O)C1=CC=C(C)C=C1O SY037234 [1,1,0,0,0,0|1,0,1]=4 484 B11R1.166 CC(C)C1=C(Br)C=C(N)C=N1 SY289046 [1,1,0,0,0,0|2,0,0]=4 485 B11R1.166 CC(C)C1=CC=C(N)C=C1O SY260312 [1,1,0,0,0,0|1,0,0]=3 486 B11R1.166 CC(C)C1=CC=C(O)C=C1O SY059257 [1,1,0,0,0,0|1,0,0]=3 487 B11R1.166 CC(C)N1C=CC(Br)=CC1=O SY116068 [1,1,0,0,0,0|2,0,0]=4 488 B11R1.166 CC(O)C1=C(Cl)C=C(Cl)C=C1 SY005062 [1,1,0,0,0,0|2,0,0]=4 489 B11R1.166 CC1=CC(O)=CC=C1C(C)C SY051849 [1,1,0,0,0,0|1,0,0]=3 490 B11R1.166 CC1=CC=C(C(F)F)C(C)=C1 SY265738 [1,1,0,0,0,0|2,0,0]=4 491 B11R1.166 CC1=CC=C(C(F)F)C(Cl)=C1 SY265879 [1,1,0,0,0,0|2,0,0]=4 492 B11R1.166 C[C@@H](N)C1=CC=C(F)C=C1F SY008887 [1,1,0,0,0,0|2,0,0]=4 493 B11R1.23 CCC(=O)C1=CC=CC(O)=C1 SY047086 [1,1,0,0,0,0|1,0,1]=4 494 B11R1.23 COC(=O)C1=CC=CC(O)=C1 SY001617 [1,1,0,0,0,0|1,0,1]=4 495 B11R1.23 NC(CO)C1=CC(Cl)=CC=C1 SY008094 [1,1,0,0,0,0|2,0,0]=4 496 B11R1.23 N[C@H](CO)C1=CC=CC(Cl)=C1 SY116141 [1,1,0,0,0,0|2,0,0]=4 497 B11R1.23 N[C@H](CO)C1=CC=CC(F)=C1 SY120659 [1,1,0,0,0,0|2,0,0]=4 498 B11R1.23 N[C@H](CO)C1=CC=CC(F)=C1 SY253690 [1,1,0,0,0,0|2,0,0]=4 499 B11R1.23 OC[C@H](O)C1=CC=CC(Cl)=C1 SY031948 [1,1,0,0,0,0|2,0,0]=4 500 B11R1.74 CC(=O)C1=CC(O)=CC(O)=C1 SY015793 [1,1,0,0,0,0|1,0,1]=4 501 B11R1.74 CC(C)C1=CC(N)=NC(Cl)=C1 SY293670 [1,1,0,0,0,0|2,0,0]=4 502 B11R1.74 CC(N)C1=CC(Cl)=CC(Cl)=C1 SY028159 [1,1,0,0,0,0|2,0,0]=4 503 B11R1.74 CN(C)C1=CC(Br)=CC(Br)=C1 SY270588 [1,1,0,0,0,0|2,0,0]=4 504 B11R1.74 CN(C)C1=CC(Cl)=CC(Br)=C1 SY265416 [1,1,0,0,0,0|2,0,0]=4 505 B11R1.74 C[C@H](N)C1=CC(Cl)=CC(Cl)=C1 SY245882 [1,1,0,0,0,0|2,0,0]=4 506 B11R1.155 CC(C)(C)C1=CC(Br)=CC=C1 SY035512 [1,1,0,0,0,0|1,0,0]=3 507 B11R1.155 CC(C)(C)C1=CC(Cl)=NC=C1 SY105781 [1,1,0,0,0,0|2,0,0]=4 508 B11R1.155 CC(C)(C)C1=CC(N)=CC=C1 SY018971 [1,1,0,0,0,0|1,0,0]=3 509 B11R1.155 CC(C)(C)C1=CC=CC(Br)=N1 SY110158 [1,1,0,0,0,0|2,0,0]=4 510 B11R1.155 CC(C)(C)C1=NC=CC(O)=C1 SY278090 [1,1,0,0,0,0|1,0,0]=3 511 B11R1.155 CC(C)(N)C1=CC(Br)=NC=C1 SY292040 [1,1,0,0,0,0|2,0,0]=4 512 B11R1.155 CC(C)(N)C1=CC=CC(Br)=C1 SY023021 [1,1,0,0,0,0|1,0,0]=3 513 B11R1.155 CC(C)(O)C1=CC(Br)=CN=C1 SY111489 [1,1,0,0,0,0|2,0,0]=4 514 B11R1.155 CC(C)(O)C1=CC(Br)=CN=C1 SY250265 [1,1,0,0,0,0|2,0,0]=4 515 B11R1.155 CC(C)(O)C1=CC(N)=NC=C1 SY128061 [1,1,0,0,0,0|2,0,0]=4 516 B11R1.155 CC(C)(O)C1=CC(O)=CC=C1 SY111553 [1,1,0,0,0,0|0,0,0]=2 517 B11R1.155 CC(C)(O)C1=CC=CC(Br)=C1 SY059471 [1,1,0,0,0,0|1,0,0]=3 518 B11R1.155 CC(C)(O)C1=CC=CC(N)=C1 SY149903 [1,1,0,0,0,0|1,0,0]=3 519 B11R1.155 CC(C)(O)C1=NC(Br)=CC=C1 SY045747 [1,1,0,0,0,0|2,0,0]=4 520 B11R1.155 CC(C)(O)C1=NC=CC(Br)=C1 SY034845 [1,1,0,0,0,0|2,0,0]=4 521 B11R1.159 CC(O)C1=CC=CC(F)=C1F SY014337 [1,1,0,0,0,0|2,0,0]=4 522 B11R1.159 CC1=C(N)C(C(C)C)=CC=C1 SY058775 [1,1,0,0,0,0|1,0,0]=3 523 B11R1.159 CC1=C(N)C(C(C)C)=NC=C1 SY251570 [1,1,0,0,0,0|2,0,0]=4 524 B11R1.167 CC(=O)C1=C(O)C=CC(O)=C1 SY011591 [1,1,0,0,0,0|1,0,1]=4 525 B11R1.167 CC(C)C1=CC(O)=CC=C1I SY276965 [1,1,0,0,0,0|0,0,0]=2 526 B11R1.167 CC(O)C1=C(Cl)C=CC(Cl)=C1 SY005061 [1,1,0,0,0,0|2,0,0]=4 527 B11R1.167 CC(O)C1=C(O)C=CC(F)=C1 SY005060 [1,1,0,0,0,0|2,0,0]=4 528 B11R1.167 CN(C)C1=CC(Br)=CC=C1F SY059771 [1,1,0,0,0,0|2,0,0]=4 529 B11R1.266 CC(Br)C1=CC(C#N)=CC=C1 SY131057 [1,1,0,0,0,0|2,0,0]=4 530 B11R1.266 CC(C)C1=CC(C#N)=CC=N1 SY263213 [1,1,0,0,0,0|2,0,0]=4 531 B11R1.266 CC(O)C1=CC(C#N)=CC=C1 SY131056 [1,1,0,0,0,0|2,0,0]=4 532 B11R1.266 CN(C)C1=CC(C#N)=CC=C1 SY019121 [1,1,0,0,0,0|2,0,0]=4 533 B11R1.266 CN(C)C1=CC(C=O)=CC=C1 SY025191 [1,1,0,0,0,0|1,0,1]=4 534 B11R1.266 CN(C)C1=CC=CC(CN)=C1 SY025320 [1,1,0,0,0,0|2,0,0]=4 535 B11R1.266 COC1=CC(C(C)=O)=CC=C1 SY003673 [1,1,0,0,0,0|1,0,1]=4 536 B11R1.266 COC1=CC(C(C)N)=CC=C1 SY003776 [1,1,0,0,0,0|1,0,0]=3 537 B11R1.266 COC1=CC(C(C)O)=CC=C1 SY005067 [1,1,0,0,0,0|1,0,0]=3 538 B11R1.266 COC1=CC(C(F)F)=CC=C1 SY265628 [1,1,0,0,0,0|2,0,0]=4 539 B11R1.266 COC1=CC([C@@H](C)N)=CC=C1 SY109464 [1,1,0,0,0,0|1,0,0]=3 540 B11R1.266 COC1=CC([C@H](C)N)=CC=C1 SY109465 [1,1,0,0,0,0|1,0,0]=3 541 B11R1.266 COC1=CC=CC(C(C)N)=C1 SY005334 [1,1,0,0,0,0|1,0,0]=3 542 B11R1.266 COC1=CC=CC(N(C)C)=C1 SY049841 [1,1,0,0,0,0|1,0,0]=3 543 B11R1.192 CC1=C(Cl)C=C(OCCl)C=C1 SY298523 [1,1,0,0,0,0|2,0,0]=4 544 B11R1.192 CC1=CN=C(CCO)C=C1N SY249566 [1,1,0,0,0,0|2,0,0]=4 545 B11R1.192 CCOC1=CC=C(N)C(O)=C1 SY291957 [1,1,0,0,0,0|1,0,0]=3 546 B11R1.192 CCOC1=CC=C(O)C(O)=C1 SY294373 [1,1,0,0,0,0|1,0,0]=3 547 B11R1.192 CNCC1=CC=C(C)C(C)=C1 SY006082 [1,1,0,0,0,0|1,0,0]=3 548 B11R1.192 CNCC1=CC=C(Cl)C(Cl)=C1 SY005449 [1,1,0,0,0,0|2,0,0]=4 549 B11R1.192 CNCC1=CC=C(O)C(O)=C1 SY024820 [1,1,0,0,0,0|1,0,0]=3 550 B11R1.192 FC1=CC(CCBr)=CC=C1Br SY262897 [1,1,0,0,0,0|2,0,0]=4 551 B11R1.192 NCCC1=CC=C(Cl)C(Cl)=C1 SY016994 [1,1,0,0,0,0|2,0,0]=4 552 B11R1.192 NCCC1=CC=C(O)C(Cl)=C1 SY302004 [1,1,0,0,0,0|2,0,0]=4 553 B11R1.192 OCCC1=CC(O)=C(O)C=C1 SY017402 [1,1,0,0,0,0|1,0,0]=3 554 B11R1.192 OCCC1=CC=C(Cl)C(Cl)=C1 SY030484 [1,1,0,0,0,0|2,0,0]=4 555 B11R1.277 COC1=C(Br)C=C(Br)C(O)=C1 SY298591 [1,1,0,0,0,0|2,0,0]=4 556 B11R1.277 COC1=C(Br)C=C(C)C(N)=C1 SY027059 [1,1,0,0,0,0|2,0,0]=4 557 B11R1.277 COC1=C(Br)C=C(N)C(O)=C1 SY295284 [1,1,0,0,0,0|2,0,0]=4 558 B11R1.277 NCC1=C(Br)C=C(F)C(O)=C1 SY292883 [1,1,0,0,0,0|2,0,0]=4 559 B11R1.278 CC1=CC=C(CO)C(N)=C1C SY129164 [1,1,0,0,0,0|2,0,0]=4 560 B11R1.278 CC1=NC=C(CO)C(C)=C1O SY004116 [1,1,0,0,0,0|2,0,0]=4 561 B11R1.278 COC1=C(F)C(O)=C(N)C=C1 SY291955 [1,1,0,0,0,0|2,0,0]=4 562 B11R1.279 CCC1=CC=C(C=O)C(O)=C1 SY026477 [1,1,0,0,0,0|0,0,1]=3 563 B11R1.279 COC1=C(Cl)C=C(CN)C=C1 SY019708 [1,1,0,0,0,0|2,0,0]=4 564 B11R1.279 COC1=CC(Br)=C(OC)C=C1 SY017069 [1,1,0,0,0,0|2,0,0]=4 565 B11R1.279 COC1=CC(O)=C(C=O)C=C1 SY012932 [1,1,0,0,0,0|1,0,1]=4 566 B11R1.279 COC1=CC=C(C#N)C=C1O SY005357 [1,1,0,0,0,0|1,0,1]=4 567 B11R1.279 COC1=CC=C(C=O)C=C1O SY001500 [1,1,0,0,0,0|1,0,1]=4 568 B11R1.279 COC1=CC=C(CCl)C=C1C SY045837 [1,1,0,0,0,0|2,0,0]=4 569 B11R1.279 COC1=CC=C(CN)C=C1Br SY028629 [1,1,0,0,0,0|2,0,0]=4 570 B11R1.279 COC1=CC=C(CN)C=C1Cl SY019709 [1,1,0,0,0,0|2,0,0]=4 571 B11R1.279 COC1=CC=C(CO)C(Br)=C1 SY030378 [1,1,0,0,0,0|2,0,0]=4 572 B11R1.279 COC1=CC=C(CO)C(N)=C1 SY129173 [1,1,0,0,0,0|2,0,0]=4 573 B11R1.279 COC1=CC=C(CO)C(O)=C1 SY026391 [1,1,0,0,0,0|1,0,0]=3 574 B11R1.279 COC1=CC=C(CO)C=C1Br SY030170 [1,1,0,0,0,0|2,0,0]=4 575 B11R1.279 COC1=CC=C(CO)C=C1O SY006442 [1,1,0,0,0,0|1,0,0]=3 576 B11R1.279 COC1=CC=C(OC)C(F)=C1 SY011252 [1,1,0,0,0,0|2,0,0]=4 577 B11R1.279 COC1=CC=C(OC)C(O)=C1 SY035119 [1,1,0,0,0,0|1,0,0]=3 578 B11R1.280 COC1=CC(CN)=CC=C1F SY026389 [1,1,0,0,0,0|2,0,0]=4 579 B11R1.280 COC1=CC(CN)=CC=C1O SY018614 [1,1,0,0,0,0|2,0,0]=4 580 B11R1.280 COC1=CC(CO)=CC=C1N SY102854 [1,1,0,0,0,0|2,0,0]=4 581 B11R1.280 COC1=CC(CO)=CC=C1O SY013849 [1,1,0,0,0,0|2,0,0]=4 582 B11R1.280 COC1=CC(OC)=C(Br)C=C1 SY014971 [1,1,0,0,0,0|2,0,0]=4 583 B11R1.280 COC1=CC=C(Br)C(CO)=C1 SY017794 [1,1,0,0,0,0|2,0,0]=4 584 B11R1.280 COC1=CC=C(Cl)C(ON)=C1 SY282334 [1,1,0,0,0,0|2,0,0]=4 585 B11R1.280 COC1=CC=C(Cl)C(ON)=C1 SY282335 [1,1,0,0,0,0|2,0,0]=4 586 B11R1.280 COC1=CC=C(F)C(ON)=C1 SY282297 [1,1,0,0,0,0|2,0,0]=4 587 B11R1.280 COC1=CC=C(F)C(ON)=C1 SY282298 [1,1,0,0,0,0|2,0,0]=4 588 B11R1.280 COC1=CC=C(I)C(OC)=C1 SY050269 [1,1,0,0,0,0|2,0,0]=4 589 B11R1.280 COC1=CC=C(N)C(CO)=C1 SY129147 [1,1,0,0,0,0|2,0,0]=4 590 B13R1.35 CC(C)OC1=CC=C(C=O)C(O)=C1 SY027242 [0,1,0,0,0,1|0,0,1]=3 591 B13R1.35 COC1=CC=C(CC(C)N)C=C1O SY271546 [0,1,0,0,0,1|1,0,0]=3 592 B13R1.52 COC1=CC(CC(C)N)=CC=C1O SY271547 [0,1,0,0,0,1|2,0,0]=4 593 B13R1.518 CC(C)(C)OC1=CC=C(Br)C(Cl)=C1 SY298831 [0,1,0,0,0,1|2,0,0]=4 594 B13R1.518 CC(C)(C)OC1=CC=C(Cl)C(Br)=C1 SY298892 [0,1,0,0,0,1|2,0,0]=4 595 B13R1.518 CC(C)(C)OC1=CC=C(Cl)C(F)=C1 SY298965 [0,1,0,0,0,1|2,0,0]=4 596 B13R1.518 CC(C)(C)OC1=CC=C(F)C(Br)=C1 SY298859 [0,1,0,0,0,1|2,0,0]=4 597 B13R1.518 CC(C)(C)OC1=CC=C(F)C(Cl)=C1 SY298904 [0,1,0,0,0,1|2,0,0]=4 598 B13R1.518 CC(C)(C)OC1=CC=C(F)C(F)=C1 SY298887 [0,1,0,0,0,1|2,0,0]=4 599 B13R1.518 CC1=CC(OC(C)(C)C)=CC=C1Br SY298870 [0,1,0,0,0,1|2,0,0]=4 600 B13R1.518 CC1=CC(OC(C)(C)C)=CC=C1Cl SY298929 [0,1,0,0,0,1|2,0,0]=4 601 B13R1.518 CC1=CC(OC(C)(C)C)=CC=C1F SY298777 [0,1,0,0,0,1|2,0,0]=4 602 B13R1.518 CC1=CC=C(OC(C)(C)C)C=C1Br SY298783 [0,1,0,0,0,1|1,0,0]=3 603 B13R1.518 CC1=CC=C(OC(C)(C)C)C=C1C SY298925 [0,1,0,0,0,1|1,0,0]=3 604 B13R1.518 CC1=CC=C(OC(C)(C)C)C=C1Cl SY298963 [0,1,0,0,0,1|1,0,0]=3 605 B13R1.518 CC1=CC=C(OC(C)(C)C)C=C1F SY298898 [0,1,0,0,0,1|1,0,0]=3 606 B13R1.38 CC(C)(O)C1=CC=C(C#N)C(F)=C1 SY244495 [0,2,0,0,0,0|1,0,1]=4 607 B13R1.38 COC1=CC=C(C(C)(C)C)C=C1N SY274621 [0,2,0,0,0,0|1,0,0]=3 608 B13R1.50 CC(C)(C)C1=CC=C(O)C(C=O)=C1 SY081235 [0,2,0,0,0,0|1,0,1]=4 609 B13R1.877 CC(C)(O)C1=CC(F)=C(Cl)C=C1N SY300679 [0,2,0,0,0,0|2,0,0]=4 610 B13R1.877 CC1=CC(F)=C(C(C)(F)F)C=C1N SY284983 [0,2,0,0,0,0|2,0,0]=4 611 B13R1.7922 CC(C)(C)C1=CC(Br)=C(N)C(Br)=C1 SY063905 [0,2,0,0,0,0|2,0,0]=4 612 B13R1.7922 CC(C)(C)C1=CC(I)=C(N)C(I)=C1 SY262667 [0,2,0,0,0,0|2,0,0]=4 613 B13R1.120 CC(C)C1=CC=C(C(=O)O)C(N)=C1 SY224907 [0,2,0,0,0,0|1,0,1]=4 614 B13R1.3088 COC(=O)C1=CC=C(OC)C(O)=C1 SY005365 [0,2,0,0,0,0|1,0,1]=4 615 B13R1.3091 COC1=C(OC)C=C(C(C)=O)C=C1 SY015105 [0,2,0,0,0,0|1,0,1]=4 616 B13R1.3091 COC1=C(OC)C=C(C(C)O)C=C1 SY004567 [0,2,0,0,0,0|1,0,0]=3 617 B13R1.3091 COC1=CC=C(C(F)F)C=C1OC SY265730 [0,2,0,0,0,0|2,0,0]=4 618 B13R1.3091 COC1=CC=C([C@@H](C)N)C=C1OC SY026586 [0,2,0,0,0,0|1,0,0]=3 619 B13R1.3091 COC1=CC=C([C@H](C)N)C=C1OC SY026585 [0,2,0,0,0,0|1,0,0]=3 620 B13R1.13 CC(C)C1=CC=C(I)C([N+](=O)[O-])=C1 SY224911 [0,2,0,0,0,0|1,0,1]=4 621 B13R1.13 CC(C)C1=CC=C(N)C([N+](=O)[O-])=C1 SY101515 [0,2,0,0,0,0|1,0,1]=4 622 B13R1.13 CC(C)C1=CC=C(O)C(C(=O)O)=C1 SY015690 [0,2,0,0,0,0|1,0,0]=3 623 B13R1.49 COC(=O)C1=CC=C(C)C(OC)=C1 SY021136 [0,2,0,0,0,0|1,0,1]=4 624 B11R1.53 CC(C)C1=CC=CC=C1C=O SY109589 [0,0,1,1,0,0|0,0,2]=4 625 B11R2.34 BrC1=CC=C(C2CC2)C=C1 SY032748 [1,0,0,1,0,0|1,0,0]=3 626 B11R2.34 CC1=CC=C(C2CC2)C=C1 SY263866 [1,0,0,1,0,0|0,0,0]=2 627 B11R2.34 ClC1=CC=C(C2CC2)C=C1 SY263837 [1,0,0,1,0,0|1,0,0]=3 628 B11R2.34 FC1=CC=C(C2CC2)C=C1 SY263851 [1,0,0,1,0,0|1,0,0]=3 629 B11R2.34 FC1=CN=C(C2CC2)C=C1 SY203733 [1,0,0,1,0,0|2,0,0]=4 630 B11R2.34 NC1=CC=C(C2CC2)C=C1 SY114519 [1,0,0,1,0,0|1,0,0]=3 631 B11R2.35 BrC1=CC=CC(C2CC2)=C1 SY027671 [1,0,0,1,0,0|1,0,0]=3 632 B11R2.35 CC1=CC(C2CC2)=NC=C1 SY264183 [1,0,0,1,0,0|2,0,0]=4 633 B11R2.35 CC1=CC=CC(C2CC2)=C1 SY263868 [1,0,0,1,0,0|1,0,0]=3 634 B11R2.35 CC1=NC(C2CC2)=CC=C1 SY264181 [1,0,0,1,0,0|2,0,0]=4 635 B11R2.35 ClC1=CC=CC(C2CC2)=C1 SY263836 [1,0,0,1,0,0|1,0,0]=3 636 B11R2.35 NC1=CC=CC(C2CC2)=C1 SY033396 [1,0,0,1,0,0|1,0,0]=3 637 B13R2.1057 NC1(C2=CC=C(Br)C(F)=C2)CC1 SY226362 [0,1,0,1,0,0|2,0,0]=4 638 B13R2.1057 NC1(C2=CC=C(Cl)C(Cl)=C2)CC1 SY173059 [0,1,0,1,0,0|2,0,0]=4 639 B13R2.1057 NC1(C2=CC=C(Cl)C(Cl)=C2)CC1 SY181834 [0,1,0,1,0,0|2,0,0]=4 640 B13R2.1057 NC1(C2=CC=C(Cl)C(F)=C2)CC1 SY226230 [0,1,0,1,0,0|2,0,0]=4 641 B13R2.1057 NC1(C2=CC=C(F)C(Cl)=C2)CC1 SY226154 [0,1,0,1,0,0|2,0,0]=4 642 B13R2.1057 NC1(C2=CC=C(F)C(F)=C2)CC1 SY003486 [0,1,0,1,0,0|2,0,0]=4 643 B13R2.1057 NC1(C2=CC=C(F)C(F)=C2)CC1 SY141313 [0,1,0,1,0,0|2,0,0]=4 644 B13R2.430 CC(=O)C1=CC=C2OCOC2=C1 SY048504 [0,1,0,1,0,0|1,0,1]=4 645 B13R2.2396 CC1=CC(C2CC2)=CC=C1C#N SY263986 [0,1,0,1,0,0|1,0,1]=4 646 B13R2.2396 COC1=CC=C(C2CC2)C=C1C SY264045 [0,1,0,1,0,0|1,0,0]=3 647 B13R2.2396 COC1=CC=C(C2CC2)C=C1F SY263980 [0,1,0,1,0,0|1,0,0]=3 648 B13R2.2396 COC1=CC=C(C2CC2)C=C1N SY264121 [0,1,0,1,0,0|1,0,0]=3 649 B13R2.2396 N#CC1=CC=C(C2CC2)C=C1Cl SY263905 [0,1,0,1,0,0|1,0,1]=4 650 B13R2.2396 N#CC1=CC=C(C2CC2)C=C1F SY263827 [0,1,0,1,0,0|1,0,1]=4 651 B13R2.2396 N#CC1=CC=C(C2CC2)C=C1N SY264118 [0,1,0,1,0,0|1,0,1]=4 652 B13R2.2461 CC1=CC=C(C2CC2)C=C1C#N SY263876 [0,1,0,1,0,0|1,0,0]=3 653 B13R2.2461 COC1=CC(C2CC2)=CC=C1C SY264159 [0,1,0,1,0,0|0,0,0]=2 654 B13R2.2461 COC1=CC(C2CC2)=CC=C1Cl SY263895 [0,1,0,1,0,0|1,0,0]=3 655 B13R2.2461 COC1=CC(C2CC2)=CC=C1F SY263962 [0,1,0,1,0,0|1,0,0]=3 656 B13R2.2461 COC1=CC(C2CC2)=CC=C1N SY264036 [0,1,0,1,0,0|1,0,0]=3 657 B13R2.2461 N#CC1=CC(C2CC2)=CC=C1Cl SY263956 [0,1,0,1,0,0|2,0,0]=4 658 B13R2.2461 N#CC1=CC(C2CC2)=CC=C1N SY263870 [0,1,0,1,0,0|2,0,0]=4 659 B13R2.5391 CC1=CC(F)=C(C2CC2)C=C1N SY263989 [0,1,0,1,0,0|1,0,0]=3 660 B13R2.5391 ClC1=CC(Cl)=C(C2CC2)C=C1Cl SY264101 [0,1,0,1,0,0|2,0,0]=4 661 B13R2.5391 FC1=CC(F)=C(C2CC2)C=C1F SY263889 [0,1,0,1,0,0|2,0,0]=4 662 B13R2.1066 CC1=CC=C(C2CNC2)C=C1C SY267223 [0,1,0,1,0,0|1,0,0]=3 663 B13R2.1066 CC1=CC=C(C2CNC2)C=C1C SY267224 [0,1,0,1,0,0|1,0,0]=3 664 B13R2.1066 FC1=CC=C(C2CNC2)C=C1F SY267295 [0,1,0,1,0,0|2,0,0]=4 665 B13R2.1066 FC1=CC=C(C2CNC2)C=C1F SY267296 [0,1,0,1,0,0|2,0,0]=4 666 B13R2.5398 FC1=CC=C(C2CC2)C(F)=C1F SY264006 [0,1,0,1,0,0|2,0,0]=4 667 B13R2.12698 CC1=CC(C2CC2)=CC(C)=C1N SY263949 [0,1,0,1,0,0|2,0,0]=4 668 B13R2.12698 ClC1=CC(C2CC2)=CC(Cl)=C1Cl SY263969 [0,1,0,1,0,0|2,0,0]=4 669 B13R2.12698 FC1=C(Cl)C=C(C2CC2)C=C1Cl SY264010 [0,1,0,1,0,0|2,0,0]=4 670 B13R2.12698 FC1=CC(C2CC2)=CC(F)=C1F SY264009 [0,1,0,1,0,0|2,0,0]=4 671 B13R2.12698 NC1=C(Cl)C=C(C2CC2)C=C1Cl SY264059 [0,1,0,1,0,0|2,0,0]=4 672 B9R1.35 CC1=CSC(C(C)C)=N1 SY048499 [1,0,0,0,1,0|2,0,0]=4 673 B11R1.20 CC(=O)CC1=CC=C(C)C=C1 SY042746 [1,0,0,0,0,1|1,0,1]=4 674 B11R1.20 CC(=O)NC1=CC=C(C)C=C1 SY035719 [1,0,0,0,0,1|1,0,1]=4 675 B11R1.20 CC(C)CC1=CC=C(N)C=C1 SY035752 [1,0,0,0,0,1|1,0,0]=3 676 B11R1.20 CC(C)NC1=CC=C(Cl)C=C1 SY262875 [1,0,0,0,0,1|1,0,0]=3 677 B11R1.20 CC(C)OC1=CC=C(N)C=C1 SY050495 [1,0,0,0,0,1|1,0,0]=3 678 B11R1.20 CC(C)OC1=CN=C(Br)C=C1 SY225423 [1,0,0,0,0,1|2,0,0]=4 679 B11R1.20 CC(C)OC1=NC=C(Br)C=C1 SY110382 [1,0,0,0,0,1|2,0,0]=4 680 B11R1.20 CC(C)SC1=CC=C(Cl)C=C1 SY293233 [1,0,0,0,0,1|1,0,0]=3 681 B11R1.20 CN(C)CC1=CC=C(N)C=C1 SY003571 [1,0,0,0,0,1|2,0,0]=4 682 B11R1.157 CC(C)OC1=NC=CC(Br)=C1 SY111491 [1,0,0,0,0,1|2,0,0]=4