0 B10R1.3 BrCC1=CC=C(CBr)C=C1 MC40512 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.3 C#CC1=CC=C(C=O)C=C1 CS21472 [0,0,0,0,0,0|0,0,2]=2 2 B10R1.3 C#CC1=CC=C(CC)C=C1 CS11051 [0,0,0,0,0,0|1,0,1]=2 3 B10R1.3 C#CC1=CC=C(OC)C=C1 CS21617 [0,0,0,0,0,0|2,0,1]=3 4 B10R1.3 C#CC1=CN=C(OC)C=C1 MC427465 [0,0,0,0,0,0|3,0,1]=4 5 B10R1.3 C=CC1=NC=C(CC)C=C1 MC111111 [0,0,0,0,0,0|2,0,0]=2 6 B10R1.3 CCC1=CC=C(CCl)C=C1 MC40596 [0,0,0,0,0,0|1,0,1]=2 7 B10R1.3 CCC1=CC=C(NN)C=C1 CS16126 [0,0,0,0,0,0|2,0,0]=2 8 B10R1.3 COC1=CC=C(C#N)C=C1 CS19381 [0,0,0,0,0,0|2,0,1]=3 9 B10R1.3 COC1=CC=C(C=O)C=C1 CS18687 [0,0,0,0,0,0|1,0,0]=1 10 B10R1.3 COC1=CC=C(CCl)C=C1 MC20866 [0,0,0,0,0,0|2,0,1]=3 11 B10R1.3 COC1=CC=C(CN)C=C1 CS18898 [0,0,0,0,0,0|2,0,1]=3 12 B10R1.3 COC1=CC=C(CN)C=N1 MC103395 [0,0,0,0,0,0|3,0,1]=4 13 B10R1.3 COC1=CC=C(CO)C=C1 CS22932 [0,0,0,0,0,0|1,0,2]=3 14 B10R1.3 COC1=CC=C(CO)C=N1 CS15243 [0,0,0,0,0,0|2,0,2]=4 15 B10R1.3 COC1=CC=C(NN)C=C1 CS19581 [0,0,0,0,0,0|3,0,0]=3 16 B10R1.3 COC1=CC=C(OC)C=C1 MC41357 [0,0,0,0,0,0|3,0,0]=3 17 B10R1.3 COC1=CN=C(C=O)C=C1 CS10425 [0,0,0,0,0,0|2,0,0]=2 18 B10R1.3 COC1=CN=C(C=O)N=C1 MC103831 [0,0,0,0,0,0|3,0,0]=3 19 B10R1.3 COC1=CN=C(CBr)C=C1 CS18482 [0,0,0,0,0,0|3,0,1]=4 20 B10R1.3 COC1=CN=C(CCl)C=C1 CS12684 [0,0,0,0,0,0|3,0,1]=4 21 B10R1.3 COC1=CN=C(CCl)C=C1 MC105068 [0,0,0,0,0,0|3,0,1]=4 22 B10R1.3 COC1=CN=C(CN)C=C1 MC431302 [0,0,0,0,0,0|3,0,1]=4 23 B10R1.3 COC1=CN=C(CO)C=C1 MC443535 [0,0,0,0,0,0|2,0,2]=4 24 B10R1.3 COC1=NC=C(C=O)C=C1 CS20322 [0,0,0,0,0,0|2,0,0]=2 25 B10R1.3 COC1=NC=C(C=O)C=N1 CS16257 [0,0,0,0,0,0|3,0,0]=3 26 B10R1.3 COC1=NC=C(CBr)C=C1 CS17111 [0,0,0,0,0,0|3,0,1]=4 27 B10R1.3 COC1=NC=C(CCl)C=C1 CS16575 [0,0,0,0,0,0|3,0,1]=4 28 B10R1.3 COC1=NC=C(NN)C=C1 CS16925 [0,0,0,0,0,0|4,0,0]=4 29 B10R1.3 COc1ccc([Mg]Br)cn1 MC116057 [0,0,0,0,0,0|4,0,0]=4 30 B10R1.3 CSC1=CC=C(CN)C=C1 MC433900 [0,0,0,0,0,0|2,0,1]=3 31 B10R1.3 CSC1=NC=C(C=O)C=N1 MC443841 [0,0,0,0,0,0|3,0,0]=3 32 B10R1.3 N#CC1=CC=C(C#N)C=C1 CS11975 [0,0,0,0,0,0|2,0,2]=4 33 B10R1.3 N#CC1=CC=C(C=O)C=C1 CS13468 [0,0,0,0,0,0|1,0,1]=2 34 B10R1.3 N#CC1=CC=C(CBr)C=C1 CS18792 [0,0,0,0,0,0|2,0,1]=3 35 B10R1.3 N#CC1=CC=C(CCl)C=C1 CS17835 [0,0,0,0,0,0|2,0,1]=3 36 B10R1.3 N#CC1=CC=C(CN)C=C1 CS19851 [0,0,0,0,0,0|2,0,1]=3 37 B10R1.3 N#CC1=CC=C(CN)C=C1 MC40812 [0,0,0,0,0,0|2,0,1]=3 38 B10R1.3 N#CC1=CC=C(NN)C=C1 CS20304 [0,0,0,0,0,0|3,0,1]=4 39 B10R1.3 N#CC1=CN=C(C=O)C=C1 CS12973 [0,0,0,0,0,0|2,0,1]=3 40 B10R1.3 N#CC1=CN=C(CBr)C=C1 CS16043 [0,0,0,0,0,0|3,0,1]=4 41 B10R1.3 N#CC1=CN=C(CCl)C=C1 CS16901 [0,0,0,0,0,0|3,0,1]=4 42 B10R1.3 N#CC1=CN=C(CO)C=C1 CS16902 [0,0,0,0,0,0|3,0,1]=4 43 B10R1.3 N#CC1=NC=C(C=O)C=C1 CS13188 [0,0,0,0,0,0|2,0,1]=3 44 B10R1.3 N#CC1=NC=C(CO)C=C1 MC33454 [0,0,0,0,0,0|3,0,1]=4 45 B10R1.3 NCC1=CC=C(CO)C=C1 CS18290 [0,0,0,0,0,0|1,0,2]=3 46 B10R1.3 O=CC1=CC=C(C=O)C=C1 CS11974 [0,0,0,0,0,0|1,0,1]=2 47 B10R1.3 O=CC1=CC=C(CBr)C=C1 MC41097 [0,0,0,0,0,0|1,0,0]=1 48 B10R1.3 O=CC1=CC=C(CO)C=C1 CS15415 [0,0,0,0,0,0|1,0,0]=1 49 B10R1.3 O=NC1=CC=C(N=O)C=C1 MC21148 [0,0,0,0,0,0|3,0,0]=3 50 B10R1.3 OCC1=CC=C(CBr)C=C1 CS20041 [0,0,0,0,0,0|1,0,2]=3 51 B10R1.3 OCC1=CC=C(CO)C=C1 CS20456 [0,0,0,0,0,0|1,0,2]=3 52 B9R1.1 BrCC1=CC=C(Br)C=C1 CS19166 [1,0,0,0,0,0|2,0,0]=3 53 B9R1.1 BrCC1=CC=C(I)C=C1 CS20172 [1,0,0,0,0,0|2,0,0]=3 54 B9R1.1 BrCC1=CN=C(Br)C=C1 MC430652 [1,0,0,0,0,0|3,0,0]=4 55 B9R1.1 Br[Mg]c1ccc(Br)cc1 MC116037 [1,0,0,0,0,0|3,0,0]=4 56 B9R1.1 C#CC1=CC=C(Br)C=C1 MC440298 [1,0,0,0,0,0|1,0,2]=4 57 B9R1.1 C#CC1=CC=C(C)C=C1 CS21552 [1,0,0,0,0,0|1,0,1]=3 58 B9R1.1 C#CC1=CC=C(Cl)C=C1 MC440300 [1,0,0,0,0,0|1,0,2]=4 59 B9R1.1 C#CC1=CC=C(F)C=C1 MC429574 [1,0,0,0,0,0|1,0,2]=4 60 B9R1.1 C#CC1=CC=C(I)C=C1 MC443225 [1,0,0,0,0,0|1,0,2]=4 61 B9R1.1 C=CC1=CC=C(Br)C=C1 MC41562 [1,0,0,0,0,0|2,0,0]=3 62 B9R1.1 C=CC1=CC=C(F)C=C1 MC33131 [1,0,0,0,0,0|2,0,0]=3 63 B9R1.1 C=CC1=CN=C(Br)C=C1 MC442257 [1,0,0,0,0,0|3,0,0]=4 64 B9R1.1 C=CC1=NC=C(Br)C=C1 MC431908 [1,0,0,0,0,0|3,0,0]=4 65 B9R1.1 CC1=CC=C(C#N)C=C1 CS19807 [1,0,0,0,0,0|1,0,1]=3 66 B9R1.1 CC1=CC=C(C=O)C=C1 MC41128 [1,0,0,0,0,0|0,0,0]=1 67 B9R1.1 CC1=CC=C(CBr)C=C1 CS22969 [1,0,0,0,0,0|1,0,1]=3 68 B9R1.1 CC1=CC=C(CCl)C=C1 MC40603 [1,0,0,0,0,0|1,0,1]=3 69 B9R1.1 CC1=CC=C(CN)C=C1 CS22970 [1,0,0,0,0,0|1,0,1]=3 70 B9R1.1 CC1=CC=C(CO)C=C1 CS19704 [1,0,0,0,0,0|0,0,2]=3 71 B9R1.1 CC1=CC=C(CO)C=N1 MC21041 [1,0,0,0,0,0|1,0,2]=4 72 B9R1.1 CC1=CC=C(NN)C=C1 CS19576 [1,0,0,0,0,0|2,0,0]=3 73 B9R1.1 CC1=CN=C(C#N)C=C1 CS13787 [1,0,0,0,0,0|2,0,1]=4 74 B9R1.1 CC1=CN=C(C=O)C=C1 CS19088 [1,0,0,0,0,0|1,0,0]=2 75 B9R1.1 CC1=CN=C(C=O)C=N1 CS12781 [1,0,0,0,0,0|2,0,0]=3 76 B9R1.1 CC1=CN=C(C=O)N=C1 MC103803 [1,0,0,0,0,0|2,0,0]=3 77 B9R1.1 CC1=CN=C(CCl)C=C1 MC115829 [1,0,0,0,0,0|2,0,1]=4 78 B9R1.1 CC1=CN=C(CN)C=C1 CS18319 [1,0,0,0,0,0|2,0,1]=4 79 B9R1.1 CC1=NC=C(C#N)C=C1 CS14144 [1,0,0,0,0,0|2,0,1]=4 80 B9R1.1 CC1=NC=C(C=O)C=C1 CS19116 [1,0,0,0,0,0|1,0,0]=2 81 B9R1.1 CC1=NC=C(C=O)C=N1 MC444194 [1,0,0,0,0,0|2,0,0]=3 82 B9R1.1 CCC1=CC=C(Br)C=C1 CS10865 [1,0,0,0,0,0|1,0,0]=2 83 B9R1.1 CCC1=CC=C(F)C=C1 MC20965 [1,0,0,0,0,0|1,0,0]=2 84 B9R1.1 CCC1=CC=C(I)C=C1 MC20189 [1,0,0,0,0,0|1,0,0]=2 85 B9R1.1 CCC1=CC=C(N)C=C1 MC40912 [1,0,0,0,0,0|1,0,0]=2 86 B9R1.1 CCC1=CC=C(O)C=C1 MC20188 [1,0,0,0,0,0|0,0,1]=2 87 B9R1.1 CCC1=CN=C(Br)C=C1 CS13124 [1,0,0,0,0,0|2,0,0]=3 88 B9R1.1 CCC1=CN=C(Br)C=N1 MC443464 [1,0,0,0,0,0|3,0,0]=4 89 B9R1.1 CCC1=CN=C(C)C=C1 MC20566 [1,0,0,0,0,0|1,0,1]=3 90 B9R1.1 CCC1=CN=C(Cl)N=C1 MC444395 [1,0,0,0,0,0|3,0,0]=4 91 B9R1.1 CCC1=CN=C(N)N=C1 CS14255 [1,0,0,0,0,0|3,0,0]=4 92 B9R1.1 CCC1=NC=C(Br)C=C1 CS12376 [1,0,0,0,0,0|2,0,0]=3 93 B9R1.1 CCC1=NC=C(Br)C=N1 CS13125 [1,0,0,0,0,0|3,0,0]=4 94 B9R1.1 CCC1=NC=C(N)C=N1 MC444378 [1,0,0,0,0,0|3,0,0]=4 95 B9R1.1 CNC1=CC=C(Cl)C=C1 MC40891 [1,0,0,0,0,0|2,0,0]=3 96 B9R1.1 CNC1=CC=C(F)C=C1 MC40919 [1,0,0,0,0,0|2,0,0]=3 97 B9R1.1 CNC1=CC=C(I)C=C1 CS22906 [1,0,0,0,0,0|2,0,0]=3 98 B9R1.1 CNC1=NC=C(Br)C=C1 CS10304 [1,0,0,0,0,0|3,0,0]=4 99 B9R1.1 CNC1=NC=C(N)C=C1 MC33484 [1,0,0,0,0,0|3,0,0]=4 100 B9R1.1 COC1=CC=C(Br)C=C1 MC41310 [1,0,0,0,0,0|2,0,0]=3 101 B9R1.1 COC1=CC=C(Cl)C=C1 MC41327 [1,0,0,0,0,0|2,0,0]=3 102 B9R1.1 COC1=CC=C(F)C=C1 MC30345 [1,0,0,0,0,0|2,0,0]=3 103 B9R1.1 COC1=CC=C(I)C=C1 MC41342 [1,0,0,0,0,0|2,0,0]=3 104 B9R1.1 COC1=CC=C(N)C=C1 CS18580 [1,0,0,0,0,0|2,0,0]=3 105 B9R1.1 COC1=CC=C(N)C=N1 CS19527 [1,0,0,0,0,0|3,0,0]=4 106 B9R1.1 COC1=CC=C(O)C=C1 CS22939 [1,0,0,0,0,0|1,0,1]=3 107 B9R1.1 COC1=CC=C(O)C=N1 CS19503 [1,0,0,0,0,0|2,0,1]=4 108 B9R1.1 COC1=CC=C(S)C=C1 MC20380 [1,0,0,0,0,0|1,1,0]=3 109 B9R1.1 COC1=CC=[N+]([O-])C=C1 CS18613 [1,0,0,0,0,0|2,0,1]=4 110 B9R1.1 COC1=CN=C(Br)C=C1 CS13470 [1,0,0,0,0,0|3,0,0]=4 111 B9R1.1 COC1=CN=C(F)C=C1 MC442697 [1,0,0,0,0,0|3,0,0]=4 112 B9R1.1 COC1=CN=C(N)C=C1 CS17791 [1,0,0,0,0,0|3,0,0]=4 113 B9R1.1 COC1=NC=C(Br)C=C1 CS22030 [1,0,0,0,0,0|3,0,0]=4 114 B9R1.1 COC1=NC=C(C)C=C1 CS21644 [1,0,0,0,0,0|2,0,1]=4 115 B9R1.1 COC1=NC=C(Cl)C=C1 CS17976 [1,0,0,0,0,0|3,0,0]=4 116 B9R1.1 COC1=NC=C(F)C=C1 MC20598 [1,0,0,0,0,0|3,0,0]=4 117 B9R1.1 COC1=NC=C(I)C=C1 CS21641 [1,0,0,0,0,0|3,0,0]=4 118 B9R1.1 COC1=NC=C(N)C=C1 MC33494 [1,0,0,0,0,0|3,0,0]=4 119 B9R1.1 CSC1=CC=C(O)C=C1 MC20743 [1,0,0,0,0,0|1,0,1]=3 120 B9R1.1 CSC1=CN=C(Br)C=C1 MC430574 [1,0,0,0,0,0|3,0,0]=4 121 B9R1.1 ClC1=CC=C(CBr)C=C1 MC40527 [1,0,0,0,0,0|2,0,0]=3 122 B9R1.1 ClC1=CN=C(CBr)C=C1 CS16112 [1,0,0,0,0,0|3,0,0]=4 123 B9R1.1 ClC1=CN=C(CBr)C=C1 CS17526 [1,0,0,0,0,0|3,0,0]=4 124 B9R1.1 ClC1=NC=C(CBr)C=C1 MC430654 [1,0,0,0,0,0|3,0,0]=4 125 B9R1.1 ClCC1=CC=C(Br)C=C1 CS19167 [1,0,0,0,0,0|2,0,0]=3 126 B9R1.1 ClCC1=CC=C(Cl)C=C1 CS19806 [1,0,0,0,0,0|2,0,0]=3 127 B9R1.1 FC1=CC=C(CBr)C=C1 CS19071 [1,0,0,0,0,0|2,0,0]=3 128 B9R1.1 FC1=CC=C(CCl)C=C1 MC429572 [1,0,0,0,0,0|2,0,0]=3 129 B9R1.1 FC1=CN=C(CBr)C=C1 MC430066 [1,0,0,0,0,0|3,0,0]=4 130 B9R1.1 FC1=CN=C(CBr)C=C1 MC432544 [1,0,0,0,0,0|3,0,0]=4 131 B9R1.1 FC1=NC=C(CBr)C=C1 CS13268 [1,0,0,0,0,0|3,0,0]=4 132 B9R1.1 N#CC1=CC=C(Br)C=C1 CS19210 [1,0,0,0,0,0|2,0,1]=4 133 B9R1.1 N#CC1=CC=C(Cl)C=C1 CS19211 [1,0,0,0,0,0|2,0,1]=4 134 B9R1.1 N#CC1=CC=C(F)C=C1 CS18637 [1,0,0,0,0,0|2,0,1]=4 135 B9R1.1 N#CC1=CC=C(I)C=C1 CS22010 [1,0,0,0,0,0|2,0,1]=4 136 B9R1.1 N#CC1=CC=C(N)C=C1 CS13395 [1,0,0,0,0,0|2,0,1]=4 137 B9R1.1 N#CC1=CC=C(O)C=C1 CS15887 [1,0,0,0,0,0|1,0,2]=4 138 B9R1.1 NC1=CC=C(C=O)C=C1 MC20423 [1,0,0,0,0,0|1,0,0]=2 139 B9R1.1 NC1=CC=C(CO)C=C1 MC33175 [1,0,0,0,0,0|2,0,0]=3 140 B9R1.1 NC1=CC=C(CO)C=N1 MC425278 [1,0,0,0,0,0|3,0,0]=4 141 B9R1.1 NC1=CN=C(CO)C=C1 MC33467 [1,0,0,0,0,0|3,0,0]=4 142 B9R1.1 NC1=NC=C(C=O)C=N1 CS16976 [1,0,0,0,0,0|3,0,0]=4 143 B9R1.1 NC1=NC=C(C=O)C=N1 CS19828 [1,0,0,0,0,0|3,0,0]=4 144 B9R1.1 NCC1=CC=C(Br)C=C1 CS19587 [1,0,0,0,0,0|2,0,0]=3 145 B9R1.1 NCC1=CC=C(Br)N=C1 CS11090 [1,0,0,0,0,0|3,0,0]=4 146 B9R1.1 NCC1=CC=C(Cl)C=C1 MC33031 [1,0,0,0,0,0|2,0,0]=3 147 B9R1.1 NCC1=CC=C(Cl)N=C1 CS16390 [1,0,0,0,0,0|3,0,0]=4 148 B9R1.1 NCC1=CC=C(F)C=C1 CS18721 [1,0,0,0,0,0|2,0,0]=3 149 B9R1.1 NCC1=CC=C(I)C=C1 MC40836 [1,0,0,0,0,0|2,0,0]=3 150 B9R1.1 NCC1=CC=C(I)C=C1 MC40837 [1,0,0,0,0,0|2,0,0]=3 151 B9R1.1 NCC1=CC=C(N)C=N1 CS10590 [1,0,0,0,0,0|3,0,0]=4 152 B9R1.1 NCC1=CC=C(O)C=C1 CS22886 [1,0,0,0,0,0|1,0,1]=3 153 B9R1.1 NCC1=CN=C(F)C=C1 MC104517 [1,0,0,0,0,0|3,0,0]=4 154 B9R1.1 NCC1=NC=C(F)C=C1 CS16554 [1,0,0,0,0,0|3,0,0]=4 155 B9R1.1 NCC1=NC=C(F)C=C1 MC430168 [1,0,0,0,0,0|3,0,0]=4 156 B9R1.1 NCC1=NC=C(F)C=C1 MC430169 [1,0,0,0,0,0|3,0,0]=4 157 B9R1.1 NNC1=CC=C(Br)C=C1 CS15342 [1,0,0,0,0,0|3,0,0]=4 158 B9R1.1 NNC1=CC=C(Cl)C=C1 CS13495 [1,0,0,0,0,0|3,0,0]=4 159 B9R1.1 NNC1=CC=C(Cl)C=C1 CS17312 [1,0,0,0,0,0|3,0,0]=4 160 B9R1.1 NNC1=CC=C(F)C=C1 CS22006 [1,0,0,0,0,0|3,0,0]=4 161 B9R1.1 NNC1=CC=C(N)C=C1 MC430700 [1,0,0,0,0,0|3,0,0]=4 162 B9R1.1 O=C1C=CC(CO)=CN1 CS19816 [1,0,0,0,0,0|2,0,0]=3 163 B9R1.1 O=CC1=CC=C(Br)C=C1 CS18612 [1,0,0,0,0,0|1,0,0]=2 164 B9R1.1 O=CC1=CC=C(Cl)C=C1 CS14843 [1,0,0,0,0,0|1,0,0]=2 165 B9R1.1 O=CC1=CC=C(Cl)N=N1 MC444424 [1,0,0,0,0,0|3,0,0]=4 166 B9R1.1 O=CC1=CC=C(F)C=C1 CS19072 [1,0,0,0,0,0|1,0,0]=2 167 B9R1.1 O=CC1=CC=C(I)C=C1 CS20133 [1,0,0,0,0,0|1,0,0]=2 168 B9R1.1 O=CC1=CC=C(O)C=C1 CS18686 [1,0,0,0,0,0|1,0,0]=2 169 B9R1.1 O=CC1=CN=C(Br)C=C1 CS13736 [1,0,0,0,0,0|2,0,0]=3 170 B9R1.1 O=CC1=CN=C(Cl)C=C1 CS13978 [1,0,0,0,0,0|2,0,0]=3 171 B9R1.1 O=CC1=CN=C(Cl)N=C1 CS12216 [1,0,0,0,0,0|3,0,0]=4 172 B9R1.1 O=CC1=CN=C(F)C=C1 CS19261 [1,0,0,0,0,0|2,0,0]=3 173 B9R1.1 O=CC1=CN=C(O)C=C1 CS13494 [1,0,0,0,0,0|2,0,0]=3 174 B9R1.1 O=CC1=NC=C(Br)C=C1 CS14127 [1,0,0,0,0,0|2,0,0]=3 175 B9R1.1 O=CC1=NC=C(Br)C=N1 MC113781 [1,0,0,0,0,0|3,0,0]=4 176 B9R1.1 O=CC1=NC=C(Cl)C=C1 CS18956 [1,0,0,0,0,0|2,0,0]=3 177 B9R1.1 O=CC1=NC=C(Cl)C=N1 MC104699 [1,0,0,0,0,0|3,0,0]=4 178 B9R1.1 O=CC1=NC=C(F)C=C1 CS20057 [1,0,0,0,0,0|2,0,0]=3 179 B9R1.1 O=CC1=NC=C(F)C=N1 MC103702 [1,0,0,0,0,0|3,0,0]=4 180 B9R1.1 O=CC1=NC=C(O)C=C1 CS12167 [1,0,0,0,0,0|2,0,0]=3 181 B9R1.1 OCC1=CC=C(Br)C=C1 CS19378 [1,0,0,0,0,0|2,0,0]=3 182 B9R1.1 OCC1=CC=C(Cl)C=C1 CS19353 [1,0,0,0,0,0|2,0,0]=3 183 B9R1.1 OCC1=CC=C(F)C=C1 MC40711 [1,0,0,0,0,0|2,0,0]=3 184 B9R1.1 OCC1=CC=C(F)N=C1 MC429931 [1,0,0,0,0,0|3,0,0]=4 185 B9R1.1 OCC1=CC=C(O)C=C1 CS19212 [1,0,0,0,0,0|1,0,1]=3 186 B9R1.1 OCC1=CN=C(Cl)C=C1 MC20657 [1,0,0,0,0,0|3,0,0]=4 187 B9R1.1 OCC1=NC=C(Br)C=C1 CS23005 [1,0,0,0,0,0|3,0,0]=4 188 B9R1.1 OCC1=NC=C(Cl)C=C1 CS21758 [1,0,0,0,0,0|3,0,0]=4 189 B9R1.1 OCC1=NC=C(F)C=C1 CS10382 [1,0,0,0,0,0|3,0,0]=4 190 B11R1.3 C#CC1=CC=C([N+](=O)[O-])C=C1 CS20667 [0,1,0,0,0,0|1,0,2]=4 191 B11R1.3 C#Cc1ccc(C(=O)O)cc1 CS17809 [0,1,0,0,0,0|0,0,2]=3 192 B11R1.3 C(C)(N)C1=CC=C(OC)C=C1 MC20521 [0,1,0,0,0,0|2,0,0]=3 193 B11R1.3 C=C(C)C1=CC=C(OC)C=C1 MC20903 [0,1,0,0,0,0|2,0,0]=3 194 B11R1.3 C=CC1=CC=C(C(=O)O)C=C1 MC425378 [0,1,0,0,0,0|0,0,2]=3 195 B11R1.3 CC(=O)C1=CC=C(C#N)C=C1 CS18730 [0,1,0,0,0,0|1,0,1]=3 196 B11R1.3 CC(=O)C1=CC=C(CBr)C=C1 CS12193 [0,1,0,0,0,0|1,0,0]=2 197 B11R1.3 CC(C)C1=CC=C(CBr)C=C1 CS14001 [0,1,0,0,0,0|1,0,1]=3 198 B11R1.3 CC(N)C1=CC=C(C#N)C=C1 CS17346 [0,1,0,0,0,0|1,0,1]=3 199 B11R1.3 CC(O)C1=CC=C(C#N)C=C1 CS10987 [0,1,0,0,0,0|1,0,1]=3 200 B11R1.3 CCC1=CC=C(B(O)O)C=C1 CS10550 [0,1,0,0,0,0|1,0,1]=3 201 B11R1.3 CCC1=CC=C(B(O)O)C=N1 MC442762 [0,1,0,0,0,0|2,0,1]=4 202 B11R1.3 CCC1=CC=C(C(=O)O)C=C1 CS13406 [0,1,0,0,0,0|0,0,0]=1 203 B11R1.3 CCC1=CN=C(C(=O)O)C=C1 MC441036 [0,1,0,0,0,0|1,0,0]=2 204 B11R1.3 CN(C)C1=CC=C(C#N)C=C1 MC40651 [0,1,0,0,0,0|2,0,1]=4 205 B11R1.3 CN(C)C1=CC=C(C=O)C=C1 CS13401 [0,1,0,0,0,0|1,0,0]=2 206 B11R1.3 CN(C)C1=NC=C(C=O)C=C1 MC431722 [0,1,0,0,0,0|2,0,0]=3 207 B11R1.3 CNC1=CC=C(C(=O)O)C=C1 MC20232 [0,1,0,0,0,0|1,0,0]=2 208 B11R1.3 COC1=CC=C(B(O)O)C=C1 CS10530 [0,1,0,0,0,0|2,0,1]=4 209 B11R1.3 COC1=CC=C(C(=O)Cl)C=C1 MC20515 [0,1,0,0,0,0|1,0,0]=2 210 B11R1.3 COC1=CC=C(C(C)=O)C=C1 MC41262 [0,1,0,0,0,0|1,0,0]=2 211 B11R1.3 COC1=CC=C(C(C)=O)C=N1 CS20044 [0,1,0,0,0,0|2,0,0]=3 212 B11R1.3 COC1=CC=C(C(C)C)C=C1 MC41346 [0,1,0,0,0,0|2,0,0]=3 213 B11R1.3 COC1=CC=C(C(C)N)C=C1 CS13954 [0,1,0,0,0,0|2,0,0]=3 214 B11R1.3 COC1=CC=C(N(C)C)C=C1 MC20811 [0,1,0,0,0,0|3,0,0]=4 215 B11R1.3 COC1=CN=C(C(=O)Cl)C=N1 MC106028 [0,1,0,0,0,0|3,0,0]=4 216 B11R1.3 COC1=CN=C(C(=O)O)C=C1 CS18937 [0,1,0,0,0,0|2,0,0]=3 217 B11R1.3 COC1=CN=C(C(=O)O)C=N1 CS12309 [0,1,0,0,0,0|3,0,0]=4 218 B11R1.3 COC1=CN=C(C(C)=O)C=C1 MC105069 [0,1,0,0,0,0|2,0,0]=3 219 B11R1.3 COC1=CN=C([N+](=O)[O-])C=C1 MC33485 [0,1,0,0,0,0|3,0,0]=4 220 B11R1.3 COC1=NC=C(C(=O)O)C=C1 CS10490 [0,1,0,0,0,0|2,0,0]=3 221 B11R1.3 COC1=NC=C([N+](=O)[O-])C=C1 CS19385 [0,1,0,0,0,0|3,0,0]=4 222 B11R1.3 FC(F)C1=CC=C(CBr)C=C1 MC432592 [0,1,0,0,0,0|2,0,1]=4 223 B11R1.3 N#CC1=CC=C(C(=O)Cl)C=C1 MC40462 [0,1,0,0,0,0|1,0,1]=3 224 B11R1.3 N#CC1=CC=C(C(=O)O)C=C1 CS21997 [0,1,0,0,0,0|1,0,1]=3 225 B11R1.3 N#CC1=CC=C(C(F)F)C=C1 MC433129 [0,1,0,0,0,0|2,0,1]=4 226 B11R1.3 N#CC1=CC=C([N+](=O)[O-])C=C1 CS13392 [0,1,0,0,0,0|2,0,1]=4 227 B11R1.3 N=C(N)C1=CC=C(C=O)C=C1 MC106619 [0,1,0,0,0,0|1,0,1]=3 228 B11R1.3 NC(=O)C1=CC=C(CBr)C=C1 CS15778 [0,1,0,0,0,0|1,0,0]=2 229 B11R1.3 NC(=O)C1=NC=C(C=O)C=C1 MC432013 [0,1,0,0,0,0|2,0,1]=4 230 B11R1.3 NCC1=CC=C(C(=O)O)C=C1 MC20325 [0,1,0,0,0,0|1,0,0]=2 231 B11R1.3 NCC1=NC=C(C(N)=O)C=C1 CS18466 [0,1,0,0,0,0|2,0,0]=3 232 B11R1.3 NCc1ccc(C(N)=O)cn1 MC431292 [0,1,0,0,0,0|2,0,0]=3 233 B11R1.3 NNC1=CC=C(C(=O)O)C=C1 CS10519 [0,1,0,0,0,0|2,0,0]=3 234 B11R1.3 NNC1=CC=C([N+](=O)[O-])C=C1 CS19494 [0,1,0,0,0,0|3,0,0]=4 235 B11R1.3 NOC1=CC=C([N+](=O)[O-])C=C1 CS14658 [0,1,0,0,0,0|3,0,0]=4 236 B11R1.3 O=C(Cl)C1=CC=C(CCl)C=C1 MC40458 [0,1,0,0,0,0|1,0,0]=2 237 B11R1.3 O=C(O)C1=CC=C(CBr)C=C1 MC10316 [0,1,0,0,0,0|1,0,0]=2 238 B11R1.3 O=C(O)C1=CC=C(CCl)C=C1 CS20829 [0,1,0,0,0,0|1,0,0]=2 239 B11R1.3 O=C(O)C1=CC=C(CO)C=C1 CS20945 [0,1,0,0,0,0|1,0,0]=2 240 B11R1.3 O=C(O)C1=NC=C(CO)C=C1 MC115965 [0,1,0,0,0,0|2,0,0]=3 241 B11R1.3 O=CC1=CC=C(B(O)O)C=C1 CS20264 [0,1,0,0,0,0|2,0,0]=3 242 B11R1.3 O=CC1=CC=C(B(O)O)C=N1 MC445192 [0,1,0,0,0,0|3,0,0]=4 243 B11R1.3 O=CC1=CC=C(C(=O)O)C=C1 CS20792 [0,1,0,0,0,0|1,0,1]=3 244 B11R1.3 O=CC1=CC=C([N+](=O)[O-])C=C1 CS19138 [0,1,0,0,0,0|2,0,0]=3 245 B11R1.3 O=[N+]([O-])C1=CC=C(CO)C=C1 CS19205 [0,1,0,0,0,0|2,0,0]=3 246 B11R1.3 OB(O)C1=CC=C(CBr)C=C1 CS20345 [0,1,0,0,0,0|2,0,1]=4 247 B11R1.3 OCC1=CC=C(B(O)O)C=C1 CS20400 [0,1,0,0,0,0|2,0,1]=4 248 B11R1.3 OCC1=CC=C(C(F)F)C=C1 MC102249 [0,1,0,0,0,0|1,0,2]=4 249 B11R1.83 C#CC1=CC=C(OCC)C=C1 CS11063 [0,1,0,0,0,0|1,0,1]=3 250 B11R1.83 CCC1=CN=C(CCO)C=C1 CS10373 [0,1,0,0,0,0|1,0,2]=4 251 B11R1.83 CCCC1=CC=C(C=O)C=C1 MC41132 [0,1,0,0,0,0|0,0,0]=1 252 B11R1.83 CCCC1=CC=C(CN)C=C1 CS10109 [0,1,0,0,0,0|1,0,1]=3 253 B11R1.83 CCOC1=CC=C(C=O)C=C1 CS22818 [0,1,0,0,0,0|0,0,0]=1 254 B11R1.83 CCOC1=CC=C(CN)C=C1 MC40825 [0,1,0,0,0,0|1,0,1]=3 255 B11R1.83 CCOC1=CC=C(CO)C=C1 CS22820 [0,1,0,0,0,0|0,0,2]=3 256 B11R1.83 CCSC1=CN=C(C#N)C=C1 MC111839 [0,1,0,0,0,0|2,0,1]=4 257 B11R1.83 CNCC1=CC=C(OC)C=C1 CS18429 [0,1,0,0,0,0|2,0,0]=3 258 B11R1.83 COC1=CC=C(CC#N)C=C1 CS13459 [0,1,0,0,0,0|2,0,1]=4 259 B11R1.83 COC1=CC=C(CNN)C=C1 CS20199 [0,1,0,0,0,0|2,0,1]=4 260 B11R1.83 COC1=CC=C(CNO)C=C1 MC106878 [0,1,0,0,0,0|1,0,2]=4 261 B11R1.83 COC1=CC=C(CON)C=C1 CS20566 [0,1,0,0,0,0|1,0,2]=4 262 B11R1.83 COC1=CC=C(N=C=O)C=C1 MC41047 [0,1,0,0,0,0|1,0,1]=3 263 B11R1.83 COC1=CC=C(\C=N\O)C=C1 MC427343 [0,1,0,0,0,0|1,0,1]=3 264 B11R1.83 C\C=C\C1=CC=C(OC)C=C1 CS10928 [0,1,0,0,0,0|2,0,0]=3 265 B11R1.83 C\C=C\C1=CC=C(OC)C=C1 CS10929 [0,1,0,0,0,0|2,0,0]=3 266 B11R1.83 N#CC1=CC=C(CCBr)C=C1 CS12532 [0,1,0,0,0,0|1,0,1]=3 267 B11R1.83 N#CC1=CC=C(CCN)C=C1 CS22808 [0,1,0,0,0,0|1,0,1]=3 268 B11R1.83 N#CC1=CC=C(CCO)C=C1 CS22434 [0,1,0,0,0,0|1,0,1]=3 269 B11R1.83 O=CC1=CC=C(CCCl)C=C1 MC106352 [0,1,0,0,0,0|0,0,0]=1 270 B11R1.83 O=CC1=CC=C(CCO)C=C1 CS16581 [0,1,0,0,0,0|0,0,0]=1 271 B11R1.279 C#CC1=C(C)C=C(OC)C=C1 MC430204 [0,1,0,0,0,0|2,0,1]=4 272 B11R1.279 CNC1=C(F)C=C(C#N)C=C1 MC33368 [0,1,0,0,0,0|2,0,1]=4 273 B11R1.279 CNC1=CC=C(OC)C=C1N MC107631 [0,1,0,0,0,0|3,0,0]=4 274 B11R1.279 COC1=C(Br)C=C(C#N)C=C1 MC30286 [0,1,0,0,0,0|2,0,1]=4 275 B11R1.279 COC1=C(Br)C=C(C=O)C=C1 MC30287 [0,1,0,0,0,0|1,0,0]=2 276 B11R1.279 COC1=C(C)C=C(C#N)C=C1 MC30267 [0,1,0,0,0,0|2,0,1]=4 277 B11R1.279 COC1=C(C)C=C(C=O)C=C1 CS10892 [0,1,0,0,0,0|1,0,0]=2 278 B11R1.279 COC1=C(Cl)C=C(C#N)C=C1 MC433757 [0,1,0,0,0,0|2,0,1]=4 279 B11R1.279 COC1=C(Cl)C=C(C=O)C=C1 MC41105 [0,1,0,0,0,0|1,0,0]=2 280 B11R1.279 COC1=C(Cl)C=C(CBr)C=C1 CS22687 [0,1,0,0,0,0|2,0,1]=4 281 B11R1.279 COC1=C(Cl)C=C(CN)C=C1 CS20430 [0,1,0,0,0,0|2,0,1]=4 282 B11R1.279 COC1=C(F)C=C(C#N)C=C1 MC433110 [0,1,0,0,0,0|2,0,1]=4 283 B11R1.279 COC1=C(F)C=C(C=O)C=C1 MC30257 [0,1,0,0,0,0|1,0,0]=2 284 B11R1.279 COC1=C(F)C=C(CBr)C=C1 MC40553 [0,1,0,0,0,0|2,0,1]=4 285 B11R1.279 COC1=C(F)C=C(CCl)C=C1 MC40599 [0,1,0,0,0,0|2,0,1]=4 286 B11R1.279 COC1=C(F)C=C(CN)C=C1 MC40827 [0,1,0,0,0,0|2,0,1]=4 287 B11R1.279 COC1=C(N)C=C(C#N)C=C1 MC30250 [0,1,0,0,0,0|2,0,1]=4 288 B11R1.279 COC1=C(N)C=C(C=O)C=C1 CS22069 [0,1,0,0,0,0|1,0,0]=2 289 B11R1.279 COC1=C(O)C=C(C#N)C=C1 CS14799 [0,1,0,0,0,0|2,0,1]=4 290 B11R1.279 COC1=C(O)C=C(C=O)C=C1 CS15324 [0,1,0,0,0,0|1,0,0]=2 291 B11R1.279 COC1=C(O)C=C(CO)C=C1 CS22314 [0,1,0,0,0,0|1,0,2]=4 292 B11R1.279 COC1=CC(Br)=C(C#N)C=C1 CS13234 [0,1,0,0,0,0|2,0,1]=4 293 B11R1.279 COC1=CC(Br)=C(C=O)C=C1 MC41095 [0,1,0,0,0,0|1,0,0]=2 294 B11R1.279 COC1=CC(C)=C(C=O)C=C1 MC41126 [0,1,0,0,0,0|1,0,0]=2 295 B11R1.279 COC1=CC(Cl)=C(C#N)C=C1 CS21446 [0,1,0,0,0,0|2,0,1]=4 296 B11R1.279 COC1=CC(Cl)=C(C=O)C=C1 CS14902 [0,1,0,0,0,0|1,0,0]=2 297 B11R1.279 COC1=CC(Cl)=C(C=O)C=N1 MC431794 [0,1,0,0,0,0|2,0,0]=3 298 B11R1.279 COC1=CC(Cl)=C(NN)C=C1 MC103360 [0,1,0,0,0,0|3,0,0]=4 299 B11R1.279 COC1=CC(F)=C(C#N)C=C1 CS10749 [0,1,0,0,0,0|2,0,1]=4 300 B11R1.279 COC1=CC(F)=C(C=O)C=C1 CS10812 [0,1,0,0,0,0|1,0,0]=2 301 B11R1.279 COC1=CC(F)=C(CCl)C=C1 MC433862 [0,1,0,0,0,0|2,0,1]=4 302 B11R1.279 COC1=CC(F)=C(CO)C=C1 MC425568 [0,1,0,0,0,0|1,0,2]=4 303 B11R1.279 COC1=CC(F)=C(NN)C=C1 CS15976 [0,1,0,0,0,0|3,0,0]=4 304 B11R1.279 COC1=CC(F)=C(OC)C=C1 CS20541 [0,1,0,0,0,0|3,0,0]=4 305 B11R1.279 COC1=CC(I)=C(C#N)C=C1 MC442269 [0,1,0,0,0,0|2,0,1]=4 306 B11R1.279 COC1=CC(N)=C(C#N)C=C1 CS17220 [0,1,0,0,0,0|2,0,1]=4 307 B11R1.279 COC1=CC(N)=C(OC)C=C1 CS21148 [0,1,0,0,0,0|3,0,0]=4 308 B11R1.279 COC1=CC(O)=C(C#N)C=C1 CS14796 [0,1,0,0,0,0|2,0,1]=4 309 B11R1.279 COC1=CC(O)=C(C=O)C=C1 CS20937 [0,1,0,0,0,0|1,0,0]=2 310 B11R1.279 COC1=CC(O)=C(OC)C=C1 CS21149 [0,1,0,0,0,0|3,0,0]=4 311 B11R1.279 COC1=NC(Br)=C(C=O)C=C1 MC431994 [0,1,0,0,0,0|2,0,0]=3 312 B11R1.279 COC1=NC(Cl)=C(C=O)C=C1 MC430651 [0,1,0,0,0,0|2,0,0]=3 313 B11R1.279 COC1=NC(F)=C(C=O)C=C1 MC441123 [0,1,0,0,0,0|2,0,0]=3 314 B11R1.279 COC1=NC=C(C=O)C=C1Br MC430406 [0,1,0,0,0,0|2,0,0]=3 315 B11R1.279 COC1=NC=C(C=O)C=C1F MC115933 [0,1,0,0,0,0|2,0,0]=3 316 B11R1.279 CSC1=C(C)C=C(C#N)C=C1 MC112206 [0,1,0,0,0,0|2,0,1]=4 317 B11R1.279 CSC1=C(C)C=C(CN)C=C1 MC112204 [0,1,0,0,0,0|2,0,1]=4 318 B11R1.279 CSC1=NC=C(C=O)C(Cl)=N1 MC444333 [0,1,0,0,0,0|3,0,0]=4 319 B11R1.279 CSC1=NC=C(C=O)C(N)=N1 CS22552 [0,1,0,0,0,0|3,0,0]=4 320 B11R1.279 N#CC1=C(F)C=C(CBr)C=C1 MC40539 [0,1,0,0,0,0|2,0,1]=4 321 B11R1.279 N#CC1=CC(Br)=C(C=O)C=C1 MC41086 [0,1,0,0,0,0|1,0,1]=3 322 B11R1.279 N#CC1=CC(Br)=C(CBr)C=C1 MC40519 [0,1,0,0,0,0|2,0,1]=4 323 B11R1.279 N#CC1=CC(F)=C(C=O)C=C1 CS20609 [0,1,0,0,0,0|1,0,1]=3 324 B11R1.279 N#CC1=CC(F)=C(CBr)C=C1 MC40538 [0,1,0,0,0,0|2,0,1]=4 325 B11R1.279 N#CC1=CC(F)=C(CO)C=C1 MC425513 [0,1,0,0,0,0|2,0,1]=4 326 B11R1.279 N#CC1=CC(I)=C(CBr)C=C1 MC433857 [0,1,0,0,0,0|2,0,1]=4 327 B11R1.279 N#CC1=CC(O)=C(C=O)C=C1 MC20819 [0,1,0,0,0,0|1,0,1]=3 328 B11R1.279 O=CC1=C(Br)C=C(CO)C=C1 MC427338 [0,1,0,0,0,0|1,0,0]=2 329 B9R1.21 CCC1=CC(C=O)=NO1 MC105910 [0,0,0,0,1,0|2,0,0]=3 330 B9R1.21 CCC1=NC=C(C=O)S1 CS15904 [0,0,0,0,1,0|2,0,0]=3 331 B9R1.21 COC1=NC=C(C=O)S1 MC443812 [0,0,0,0,1,0|3,0,0]=4 332 B9R1.21 N#CC1=CC=C(C=O)S1 CS10362 [0,0,0,0,1,0|2,0,1]=4 333 B9R1.21 O=CC1=CC=C(C=O)O1 MC20959 [0,0,0,0,1,0|2,0,1]=4 334 B9R1.21 O=CC1=CC=C(C=O)S1 MC445785 [0,0,0,0,1,0|2,0,1]=4 335 B9R1.21 O=CC1=CC=C(CO)N1 CS16660 [0,0,0,0,1,0|2,0,0]=3 336 B9R1.21 O=CC1=CC=C(CO)O1 CS15585 [0,0,0,0,1,0|2,0,0]=3 337 B9R1.21 O=CC1=CSC(C=O)=C1 CS17580 [0,0,0,0,1,0|2,0,1]=4 338 B8R1.2 BrCC1=CC=NC=C1 CS22459 [2,0,0,0,0,0|2,0,0]=4 339 B8R1.2 BrCC1=CC=NC=C1 MC111773 [2,0,0,0,0,0|2,0,0]=4 340 B8R1.2 C#CC1=CC=CC=C1 CS19127 [2,0,0,0,0,0|0,0,2]=4 341 B8R1.2 CCC1=CC=CC=C1 MC41556 [2,0,0,0,0,0|0,0,0]=2 342 B8R1.2 CCC1=CC=CN=C1 CS22277 [2,0,0,0,0,0|1,0,0]=3 343 B8R1.2 CCC1=NC=CN=C1 CS21534 [2,0,0,0,0,0|2,0,0]=4 344 B8R1.2 CNC1=CC=CC=C1 CS11792 [2,0,0,0,0,0|1,0,0]=3 345 B8R1.2 CNC1=CC=CN=C1 CS13856 [2,0,0,0,0,0|2,0,0]=4 346 B8R1.2 CNC1=CC=NC=C1 MC41620 [2,0,0,0,0,0|2,0,0]=4 347 B8R1.2 COC1=CC=CC=C1 MC41309 [2,0,0,0,0,0|1,0,0]=3 348 B8R1.2 COC1=CC=CN=C1 CS22348 [2,0,0,0,0,0|2,0,0]=4 349 B8R1.2 COC1=CC=NC=C1 CS19206 [2,0,0,0,0,0|2,0,0]=4 350 B8R1.2 COC1=NC=CC=C1 CS18780 [2,0,0,0,0,0|2,0,0]=4 351 B8R1.2 CSC1=CC=CC=C1 MC439137 [2,0,0,0,0,0|1,0,0]=3 352 B8R1.2 CSC1=NC=CC=C1 MC41628 [2,0,0,0,0,0|2,0,0]=4 353 B8R1.2 ClCC1=CC=CN=C1 CS19291 [2,0,0,0,0,0|2,0,0]=4 354 B8R1.2 ClCC1=NC=CC=C1 CS19289 [2,0,0,0,0,0|2,0,0]=4 355 B8R1.2 ICC1=CC=CC=C1 CS11000 [2,0,0,0,0,0|1,0,0]=3 356 B8R1.2 ICC1=CC=CN=C1 MC430640 [2,0,0,0,0,0|2,0,0]=4 357 B8R1.2 I[Zn]c1ccccc1 MC121332 [2,0,0,0,0,0|2,0,0]=4 358 B8R1.2 N#CC1=CC=CC=C1 MC40623 [2,0,0,0,0,0|1,0,1]=4 359 B8R1.2 N#Cc1ccccc1 CS13696 [2,0,0,0,0,0|1,0,1]=4 360 B8R1.2 NCC1=CC=CC=C1 MC40797 [2,0,0,0,0,0|1,0,0]=3 361 B8R1.2 NCC1=CC=CN=C1 CS14226 [2,0,0,0,0,0|2,0,0]=4 362 B8R1.2 NCC1=CC=NC=C1 CS11906 [2,0,0,0,0,0|2,0,0]=4 363 B8R1.2 NCC1=CC=NC=C1 CS19023 [2,0,0,0,0,0|2,0,0]=4 364 B8R1.2 NNC1=CC=CC=C1 CS15210 [2,0,0,0,0,0|2,0,0]=4 365 B8R1.2 NNC1=CC=CC=C1 MC427075 [2,0,0,0,0,0|2,0,0]=4 366 B8R1.2 O=CC1=CC=CN=N1 MC121079 [2,0,0,0,0,0|2,0,0]=4 367 B8R1.2 O=CC1=CN=CC=C1 CS19090 [2,0,0,0,0,0|1,0,0]=3 368 B8R1.2 O=CC1=CN=CN=C1 CS19643 [2,0,0,0,0,0|2,0,0]=4 369 B8R1.2 O=CC1=CN=NC=C1 MC444362 [2,0,0,0,0,0|2,0,0]=4 370 B8R1.2 O=CC1=NC=CC=C1 CS18610 [2,0,0,0,0,0|1,0,0]=3 371 B8R1.2 O=CC1=NC=CC=N1 MC444571 [2,0,0,0,0,0|2,0,0]=4 372 B8R1.2 O=CC1=NC=CN=C1 CS18375 [2,0,0,0,0,0|2,0,0]=4 373 B8R1.2 O=NC1=CC=CC=C1 MC33163 [2,0,0,0,0,0|1,0,0]=3 374 B8R1.2 OCC1=CC=CC=C1 MC40684 [2,0,0,0,0,0|1,0,0]=3 375 B8R1.2 OCC1=CC=CN=C1 CS22409 [2,0,0,0,0,0|2,0,0]=4 376 B8R1.2 OCC1=CC=NC=C1 CS19163 [2,0,0,0,0,0|2,0,0]=4 377 B8R1.2 OCC1=NC=CC=C1 CS19164 [2,0,0,0,0,0|2,0,0]=4 378 B8R1.3 BrC1=CC=C(Br)C=C1 MC41477 [2,0,0,0,0,0|2,0,0]=4 379 B8R1.3 BrC1=CC=C(I)C=C1 CS22911 [2,0,0,0,0,0|2,0,0]=4 380 B8R1.3 CC1=CC=C(Br)C=C1 MC20922 [2,0,0,0,0,0|1,0,0]=3 381 B8R1.3 CC1=CC=C(C)C=C1 MC41551 [2,0,0,0,0,0|0,0,1]=3 382 B8R1.3 CC1=CC=C(F)C=C1 MC41520 [2,0,0,0,0,0|1,0,0]=3 383 B8R1.3 CC1=CC=C(I)C=C1 MC445763 [2,0,0,0,0,0|1,0,0]=3 384 B8R1.3 CC1=CC=C(N)C=C1 CS11898 [2,0,0,0,0,0|1,0,0]=3 385 B8R1.3 CC1=CC=C(N)C=N1 CS19519 [2,0,0,0,0,0|2,0,0]=4 386 B8R1.3 CC1=CC=C(O)C=C1 MC41204 [2,0,0,0,0,0|0,0,1]=3 387 B8R1.3 CC1=CC=C(O)C=N1 CS19501 [2,0,0,0,0,0|1,0,1]=4 388 B8R1.3 CC1=CC=C([S-])C=C1 MC112796 [2,0,0,0,0,0|0,1,0]=3 389 B8R1.3 CC1=CN=C(Br)C=C1 CS21837 [2,0,0,0,0,0|2,0,0]=4 390 B8R1.3 CC1=CN=C(C)C=C1 CS21154 [2,0,0,0,0,0|1,0,1]=4 391 B8R1.3 CC1=CN=C(Cl)C=C1 CS19287 [2,0,0,0,0,0|2,0,0]=4 392 B8R1.3 CC1=CN=C(F)C=C1 CS21872 [2,0,0,0,0,0|2,0,0]=4 393 B8R1.3 CC1=CN=C(N)C=C1 CS21820 [2,0,0,0,0,0|2,0,0]=4 394 B8R1.3 CC1=CN=C(O)C=C1 CS16275 [2,0,0,0,0,0|1,0,1]=4 395 B8R1.3 CC1=CNC(=O)C=C1 CS21591 [2,0,0,0,0,0|1,0,0]=3 396 B8R1.3 CC1=NC=C(Br)C=C1 CS22031 [2,0,0,0,0,0|2,0,0]=4 397 B8R1.3 CC1=NC=C(F)C=C1 MC433052 [2,0,0,0,0,0|2,0,0]=4 398 B8R1.3 CC1=NC=C(I)C=C1 MC20376 [2,0,0,0,0,0|2,0,0]=4 399 B8R1.3 CC1=NNC(=O)C=C1 CS19836 [2,0,0,0,0,0|2,0,0]=4 400 B8R1.3 ClC1=CC=C(Br)C=C1 CS22677 [2,0,0,0,0,0|2,0,0]=4 401 B8R1.3 ClC1=CC=C(I)C=C1 CS19235 [2,0,0,0,0,0|2,0,0]=4 402 B8R1.3 FC1=CC=C(Br)C=C1 MC20092 [2,0,0,0,0,0|2,0,0]=4 403 B8R1.3 FC1=CC=C(Cl)C=C1 CS20666 [2,0,0,0,0,0|2,0,0]=4 404 B8R1.3 FC1=CC=C(F)C=C1 MC41485 [2,0,0,0,0,0|2,0,0]=4 405 B8R1.3 FC1=CC=C(I)C=C1 CS22840 [2,0,0,0,0,0|2,0,0]=4 406 B8R1.3 FC1=CC=C(S)C=C1 MC20299 [2,0,0,0,0,0|1,1,0]=4 407 B8R1.3 IC1=CC=C(I)C=C1 CS19213 [2,0,0,0,0,0|2,0,0]=4 408 B8R1.3 NC1=CC=C(Br)C=C1 MC40858 [2,0,0,0,0,0|2,0,0]=4 409 B8R1.3 NC1=CC=C(Br)C=C1 MC40859 [2,0,0,0,0,0|2,0,0]=4 410 B8R1.3 NC1=CC=C(Cl)C=C1 CS18588 [2,0,0,0,0,0|2,0,0]=4 411 B8R1.3 NC1=CC=C(F)C=C1 CS19763 [2,0,0,0,0,0|2,0,0]=4 412 B8R1.3 NC1=CC=C(N)C=C1 CS18589 [2,0,0,0,0,0|2,0,0]=4 413 B8R1.3 NC1=CC=C(O)C=C1 MC41146 [2,0,0,0,0,0|1,0,1]=4 414 B8R1.3 NC1=CC=C(S)C=C1 MC20109 [2,0,0,0,0,0|1,1,0]=4 415 B8R1.3 NC1=CNC(=O)C=C1 CS15177 [2,0,0,0,0,0|2,0,0]=4 416 B8R1.3 O=C1C=CC(=O)C=C1 CS20528 [2,0,0,0,0,0|1,0,0]=3 417 B8R1.3 O=C1C=CC(O)=CN1 CS15928 [2,0,0,0,0,0|2,0,0]=4 418 B8R1.3 OC1=CC=C(Br)C=C1 MC41163 [2,0,0,0,0,0|1,0,1]=4 419 B8R1.3 OC1=CC=C(Cl)C=C1 CS22792 [2,0,0,0,0,0|1,0,1]=4 420 B8R1.3 OC1=CC=C(F)C=C1 MC41198 [2,0,0,0,0,0|1,0,1]=4 421 B8R1.3 OC1=CC=C(I)C=C1 MC20152 [2,0,0,0,0,0|1,0,1]=4 422 B8R1.3 OC1=CC=C(O)C=C1 MC41215 [2,0,0,0,0,0|1,0,1]=4 423 B8R1.3 SC1=CC=C(Br)C=C1 MC20198 [2,0,0,0,0,0|1,1,0]=4 424 B10R1.1 Br[Zn]Cc1ccc(Br)cc1 MC121353 [1,1,0,0,0,0|2,0,0]=4 425 B10R1.1 C=COC1=CC=C(I)C=C1 MC103309 [1,1,0,0,0,0|2,0,0]=4 426 B10R1.1 CC1=CC=C(CC#N)C=C1 CS21709 [1,1,0,0,0,0|0,0,2]=4 427 B10R1.1 CC1=CC=C(CCBr)C=C1 CS19977 [1,1,0,0,0,0|0,0,1]=3 428 B10R1.1 CC1=CC=C(CCN)C=C1 CS18979 [1,1,0,0,0,0|0,0,1]=3 429 B10R1.1 CC1=CC=C(CCO)C=C1 MC40744 [1,1,0,0,0,0|0,0,1]=3 430 B10R1.1 CC1=CC=C(CNN)C=C1 CS20201 [1,1,0,0,0,0|1,0,1]=4 431 B10R1.1 CC1=NC=C(N=C=O)C=C1 MC106881 [1,1,0,0,0,0|1,0,1]=4 432 B10R1.1 CCCC1=CC=C(Br)C=C1 CS10896 [1,1,0,0,0,0|1,0,0]=3 433 B10R1.1 CCOC1=CC=C(Br)C=C1 MC446797 [1,1,0,0,0,0|1,0,0]=3 434 B10R1.1 CCOC1=CC=C(I)C=C1 CS22907 [1,1,0,0,0,0|1,0,0]=3 435 B10R1.1 CCOC1=CC=C(N)C=C1 CS11879 [1,1,0,0,0,0|1,0,0]=3 436 B10R1.1 CCOC1=CN=C(N)C=C1 CS15063 [1,1,0,0,0,0|2,0,0]=4 437 B10R1.1 CCOC1=NC=C(Br)C=C1 CS22026 [1,1,0,0,0,0|2,0,0]=4 438 B10R1.1 CCOC1=NC=C(N)C=C1 CS14713 [1,1,0,0,0,0|2,0,0]=4 439 B10R1.1 CNCC1=CC=C(Br)C=C1 CS19272 [1,1,0,0,0,0|1,0,0]=3 440 B10R1.1 CNCC1=CC=C(C)C=C1 CS11795 [1,1,0,0,0,0|0,0,1]=3 441 B10R1.1 CSCC1=NC=C(Br)C=C1 MC112104 [1,1,0,0,0,0|2,0,0]=4 442 B10R1.1 ClC1=CC=C(CCBr)C=C1 CS10835 [1,1,0,0,0,0|1,0,0]=3 443 B10R1.1 ClCCC1=CC=C(Cl)C=C1 MC433885 [1,1,0,0,0,0|1,0,0]=3 444 B10R1.1 FC1=CC=C(CCBr)C=C1 CS10866 [1,1,0,0,0,0|1,0,0]=3 445 B10R1.1 Fc1ccc(C[Zn]Cl)cc1 MC121346 [1,1,0,0,0,0|2,0,0]=4 446 B10R1.1 N#CCC1=CC=C(Br)C=C1 CS20687 [1,1,0,0,0,0|1,0,1]=4 447 B10R1.1 N#CCC1=CC=C(Cl)C=C1 MC20790 [1,1,0,0,0,0|1,0,1]=4 448 B10R1.1 N#CCC1=CC=C(F)C=C1 CS14479 [1,1,0,0,0,0|1,0,1]=4 449 B10R1.1 N#CCC1=CC=C(I)C=C1 MC40782 [1,1,0,0,0,0|1,0,1]=4 450 B10R1.1 N#CCC1=CC=C(N)C=C1 MC40751 [1,1,0,0,0,0|1,0,1]=4 451 B10R1.1 NC1=CC=C(CCO)C=C1 CS13450 [1,1,0,0,0,0|1,0,0]=3 452 B10R1.1 NCCC1=CC=C(Br)C=C1 CS19296 [1,1,0,0,0,0|1,0,0]=3 453 B10R1.1 NCCC1=CC=C(Cl)C=C1 MC40975 [1,1,0,0,0,0|1,0,0]=3 454 B10R1.1 NCCC1=CC=C(F)C=C1 CS13766 [1,1,0,0,0,0|1,0,0]=3 455 B10R1.1 NCCC1=CC=C(N)C=C1 MC33045 [1,1,0,0,0,0|1,0,0]=3 456 B10R1.1 NCCC1=CC=C(O)C=C1 CS22315 [1,1,0,0,0,0|0,0,1]=3 457 B10R1.1 NCCC1=CNC(=O)C=C1 MC33499 [1,1,0,0,0,0|1,0,0]=3 458 B10R1.1 NNCC1=CC=C(F)C=C1 CS17057 [1,1,0,0,0,0|2,0,0]=4 459 B10R1.1 O=C=NC1=CC=C(Br)C=C1 MC41032 [1,1,0,0,0,0|1,0,1]=4 460 B10R1.1 O=C=NC1=CC=C(F)C=C1 MC33036 [1,1,0,0,0,0|1,0,1]=4 461 B10R1.1 O=CCC1=CC=C(Br)C=C1 CS18203 [1,1,0,0,0,0|1,0,0]=3 462 B10R1.1 O=CNC1=CC=C(Cl)C=C1 MC103067 [1,1,0,0,0,0|1,0,0]=3 463 B10R1.1 OCCC1=CC=C(Br)C=C1 CS14491 [1,1,0,0,0,0|1,0,0]=3 464 B10R1.1 OCCC1=CC=C(Cl)C=C1 CS22791 [1,1,0,0,0,0|1,0,0]=3 465 B10R1.1 OCCC1=CC=C(F)C=C1 MC33200 [1,1,0,0,0,0|1,0,0]=3 466 B10R1.1 OCCC1=CC=C(I)C=C1 CS12086 [1,1,0,0,0,0|1,0,0]=3 467 B10R1.1 OCCC1=CC=C(O)C=C1 CS20458 [1,1,0,0,0,0|0,0,1]=3 468 B10R1.1 OCCC1=NC=C(Br)C=C1 MC102395 [1,1,0,0,0,0|2,0,0]=4 469 B10R1.13 C=C(C)C1=CC=C(O)C=C1 MC441020 [1,1,0,0,0,0|0,0,2]=4 470 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 CS19447 [1,1,0,0,0,0|1,0,0]=3 471 B10R1.13 CC(=O)C1=CC=C(Br)N=C1 CS17999 [1,1,0,0,0,0|2,0,0]=4 472 B10R1.13 CC(=O)C1=CC=C(C)C=C1 CS13558 [1,1,0,0,0,0|0,0,0]=2 473 B10R1.13 CC(=O)C1=CC=C(C)N=N1 MC112296 [1,1,0,0,0,0|2,0,0]=4 474 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 CS20014 [1,1,0,0,0,0|1,0,0]=3 475 B10R1.13 CC(=O)C1=CC=C(Cl)N=C1 CS19687 [1,1,0,0,0,0|2,0,0]=4 476 B10R1.13 CC(=O)C1=CC=C(F)C=C1 CS14299 [1,1,0,0,0,0|1,0,0]=3 477 B10R1.13 CC(=O)C1=CC=C(F)N=C1 CS16982 [1,1,0,0,0,0|2,0,0]=4 478 B10R1.13 CC(=O)C1=CC=C(N)C=C1 MC20162 [1,1,0,0,0,0|1,0,0]=3 479 B10R1.13 CC(=O)C1=CC=C(O)C=C1 CS22884 [1,1,0,0,0,0|1,0,0]=3 480 B10R1.13 CC(=O)C1=CC=C(O)N=C1 CS12692 [1,1,0,0,0,0|2,0,0]=4 481 B10R1.13 CC(=O)C1=CN=C(C)C=C1 MC428167 [1,1,0,0,0,0|1,0,0]=3 482 B10R1.13 CC(=O)C1=CN=C(C)N=C1 MC444074 [1,1,0,0,0,0|2,0,0]=4 483 B10R1.13 CC(=O)C1=NC=C(Br)C=C1 CS16977 [1,1,0,0,0,0|2,0,0]=4 484 B10R1.13 CC(=O)C1=NC=C(C)C=C1 MC443649 [1,1,0,0,0,0|1,0,0]=3 485 B10R1.13 CC(=O)C1=NC=C(C)N=C1 MC444078 [1,1,0,0,0,0|2,0,0]=4 486 B10R1.13 CC(=O)C1=NC=C(Cl)C=C1 CS16979 [1,1,0,0,0,0|2,0,0]=4 487 B10R1.13 CC(=O)C1=NC=C(F)C=C1 MC106404 [1,1,0,0,0,0|2,0,0]=4 488 B10R1.13 CC(=O)C1=NC=C(N)C=C1 MC442802 [1,1,0,0,0,0|2,0,0]=4 489 B10R1.13 CC(=O)c1ccc(I)cc1 MC433245 [1,1,0,0,0,0|1,0,0]=3 490 B10R1.13 CC(Br)C1=CC=C(F)C=C1 CS16140 [1,1,0,0,0,0|1,0,0]=3 491 B10R1.13 CC(C)C1=CC=C(Br)C=C1 CS19162 [1,1,0,0,0,0|1,0,0]=3 492 B10R1.13 CC(C)C1=CC=C(N)C=C1 CS22915 [1,1,0,0,0,0|1,0,0]=3 493 B10R1.13 CC(C)C1=CC=C(N)C=N1 CS22406 [1,1,0,0,0,0|2,0,0]=4 494 B10R1.13 CC(C)C1=CN=C(Br)C=C1 MC432364 [1,1,0,0,0,0|2,0,0]=4 495 B10R1.13 CC(C)C1=CN=C(Cl)C=C1 MC107619 [1,1,0,0,0,0|2,0,0]=4 496 B10R1.13 CC(C)C1=CN=C(N)C=C1 CS21752 [1,1,0,0,0,0|2,0,0]=4 497 B10R1.13 CC(N)C1=CC=C(Br)C=C1 CS10540 [1,1,0,0,0,0|1,0,0]=3 498 B10R1.13 CC(N)C1=CC=C(Br)C=C1 CS20256 [1,1,0,0,0,0|1,0,0]=3 499 B10R1.13 CC(N)C1=CC=C(F)C=C1 CS19253 [1,1,0,0,0,0|1,0,0]=3 500 B10R1.13 CC(N)C1=CC=C(F)C=C1 MC40832 [1,1,0,0,0,0|1,0,0]=3 501 B10R1.13 CC(N)C1=CC=C(F)C=C1 MC429424 [1,1,0,0,0,0|1,0,0]=3 502 B10R1.13 CC(N)C1=CC=C(I)C=C1 MC113505 [1,1,0,0,0,0|1,0,0]=3 503 B10R1.13 CC(N)C1=CC=C(N)C=C1 CS22422 [1,1,0,0,0,0|1,0,0]=3 504 B10R1.13 CC(N)C1=NC=C(F)C=C1 CS16980 [1,1,0,0,0,0|2,0,0]=4 505 B10R1.13 CC(N)C1=NC=C(F)C=C1 MC102962 [1,1,0,0,0,0|2,0,0]=4 506 B10R1.13 CC(N)c1ccc(Cl)cc1 MC433903 [1,1,0,0,0,0|1,0,0]=3 507 B10R1.13 CC(O)C1=CC=C(F)C=C1 MC33129 [1,1,0,0,0,0|1,0,0]=3 508 B10R1.13 CC(O)C1=CC=C(N)C=C1 MC40728 [1,1,0,0,0,0|1,0,0]=3 509 B10R1.13 CC1=CC=C(B(O)O)C=C1 CS10128 [1,1,0,0,0,0|1,0,1]=4 510 B10R1.13 CC1=CC=C(C(=N)N)C=C1 CS20439 [1,1,0,0,0,0|1,0,0]=3 511 B10R1.13 CC1=CC=C(C(=O)Cl)C=C1 MC40494 [1,1,0,0,0,0|0,0,0]=2 512 B10R1.13 CC1=CC=C(C(=O)O)C=C1 MC40304 [1,1,0,0,0,0|0,0,0]=2 513 B10R1.13 CC1=CC=C(C(N)=O)C=C1 CS11895 [1,1,0,0,0,0|0,0,0]=2 514 B10R1.13 CC1=CC=C(S(=O)[O-])C=C1 CS11896 [1,1,0,0,0,0|1,0,0]=3 515 B10R1.13 CC1=CC=C(S(N)=O)C=C1 CS18822 [1,1,0,0,0,0|1,0,0]=3 516 B10R1.13 CC1=CN=C(C(=O)O)C=C1 CS10458 [1,1,0,0,0,0|1,0,0]=3 517 B10R1.13 CC1=CN=C(C(=O)O)C=C1 CS17310 [1,1,0,0,0,0|1,0,0]=3 518 B10R1.13 CC1=CN=C(C(=O)O)C=N1 CS19370 [1,1,0,0,0,0|2,0,0]=4 519 B10R1.13 CC1=CN=C(C(=O)O)N=C1 CS21764 [1,1,0,0,0,0|2,0,0]=4 520 B10R1.13 CC1=CN=C([N+](=O)[O-])C=C1 CS21713 [1,1,0,0,0,0|2,0,0]=4 521 B10R1.13 CC1=NC=C(C(=O)O)C=C1 CS20324 [1,1,0,0,0,0|1,0,0]=3 522 B10R1.13 CC1=NC=C(C(=O)O)C=N1 CS21698 [1,1,0,0,0,0|2,0,0]=4 523 B10R1.13 CC1=NC=C(C(N)=O)C=C1 CS18427 [1,1,0,0,0,0|1,0,0]=3 524 B10R1.13 CC1=NC=C([N+](=O)[O-])C=C1 CS19359 [1,1,0,0,0,0|2,0,0]=4 525 B10R1.13 CN(C)C1=CC=C(Br)C=C1 CS15132 [1,1,0,0,0,0|2,0,0]=4 526 B10R1.13 CN(C)C1=CC=C(Cl)C=C1 MC20289 [1,1,0,0,0,0|2,0,0]=4 527 B10R1.13 CN(C)C1=CC=C(I)C=C1 CS16430 [1,1,0,0,0,0|2,0,0]=4 528 B10R1.13 CN(C)C1=CC=C(O)C=C1 CS16528 [1,1,0,0,0,0|1,0,1]=4 529 B10R1.13 CN(C)C1=CC=C(O)C=C1 MC442505 [1,1,0,0,0,0|1,0,1]=4 530 B10R1.13 Cc1ccc(C(C)C)cc1 MC444976 [1,1,0,0,0,0|0,0,1]=3 531 B10R1.13 FC(F)C1=CC=C(Br)C=C1 MC33151 [1,1,0,0,0,0|2,0,0]=4 532 B10R1.13 FC1=CC=C(C(Cl)Cl)C=C1 MC33143 [1,1,0,0,0,0|2,0,0]=4 533 B10R1.13 N=C(N)C1=CC=C(Br)C=C1 MC21022 [1,1,0,0,0,0|2,0,0]=4 534 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 CS20283 [1,1,0,0,0,0|2,0,0]=4 535 B10R1.13 N=C(N)C1=CC=C(F)C=C1 CS18318 [1,1,0,0,0,0|2,0,0]=4 536 B10R1.13 N=C(N)C1=CC=C(N)C=C1 CS21974 [1,1,0,0,0,0|2,0,0]=4 537 B10R1.13 NC(=O)C1=CC=C(F)C=C1 CS10426 [1,1,0,0,0,0|1,0,0]=3 538 B10R1.13 NC(=O)C1=CN=C(N)C=C1 MC425266 [1,1,0,0,0,0|2,0,0]=4 539 B10R1.13 NC(=O)C1=CNC(=O)C=C1 MC427340 [1,1,0,0,0,0|2,0,0]=4 540 B10R1.13 NC(=O)C1=NC=C(Br)C=C1 MC41603 [1,1,0,0,0,0|2,0,0]=4 541 B10R1.13 NC(=O)C1=NC=C(Cl)C=C1 MC33351 [1,1,0,0,0,0|2,0,0]=4 542 B10R1.13 NC(=O)C1=NC=C(F)C=C1 CS16336 [1,1,0,0,0,0|2,0,0]=4 543 B10R1.13 NC(=O)C1=NC=C(N)C=C1 CS10223 [1,1,0,0,0,0|2,0,0]=4 544 B10R1.13 NC(=S)C1=CC=C(O)C=C1 CS20343 [1,1,0,0,0,0|1,1,0]=4 545 B10R1.13 NC1=CC=C(C(=O)O)C=C1 MC40224 [1,1,0,0,0,0|1,0,0]=3 546 B10R1.13 NC1=CC=C(C(=O)[O-])C=C1 CS22580 [1,1,0,0,0,0|1,0,0]=3 547 B10R1.13 NC1=CC=C(C(F)F)C=C1 CS17592 [1,1,0,0,0,0|2,0,0]=4 548 B10R1.13 NC1=CC=C([N+](=O)[O-])C=C1 MC40934 [1,1,0,0,0,0|2,0,0]=4 549 B10R1.13 NC1=CN=C(C(=O)O)C=C1 CS19367 [1,1,0,0,0,0|2,0,0]=4 550 B10R1.13 NC1=NC=C(C(=O)O)C=C1 CS19354 [1,1,0,0,0,0|2,0,0]=4 551 B10R1.13 O=C(Cl)C1=CC=C(Br)C=C1 MC40440 [1,1,0,0,0,0|1,0,0]=3 552 B10R1.13 O=C(Cl)C1=CC=C(F)C=C1 MC40474 [1,1,0,0,0,0|1,0,0]=3 553 B10R1.13 O=C(Cl)C1=CC=C(I)C=C1 MC433701 [1,1,0,0,0,0|1,0,0]=3 554 B10R1.13 O=C(O)C1=CC=C(Br)C=C1 CS20082 [1,1,0,0,0,0|1,0,0]=3 555 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 CS15821 [1,1,0,0,0,0|1,0,0]=3 556 B10R1.13 O=C(O)C1=CC=C(F)C=C1 MC40280 [1,1,0,0,0,0|1,0,0]=3 557 B10R1.13 O=C(O)C1=CC=C(I)C=C1 CS20135 [1,1,0,0,0,0|1,0,0]=3 558 B10R1.13 O=C(O)C1=CC=C(O)C=C1 CS22885 [1,1,0,0,0,0|1,0,0]=3 559 B10R1.13 O=C(O)C1=CN=C(Br)C=C1 CS22092 [1,1,0,0,0,0|2,0,0]=4 560 B10R1.13 O=C(O)C1=CN=C(Cl)C=C1 CS22101 [1,1,0,0,0,0|2,0,0]=4 561 B10R1.13 O=C(O)C1=CN=C(F)C=C1 CS18891 [1,1,0,0,0,0|2,0,0]=4 562 B10R1.13 O=C(O)C1=CN=C(O)C=C1 CS19189 [1,1,0,0,0,0|2,0,0]=4 563 B10R1.13 O=C(O)C1=NC=C(Br)C=C1 CS22033 [1,1,0,0,0,0|2,0,0]=4 564 B10R1.13 O=C(O)C1=NC=C(Cl)C=C1 CS19376 [1,1,0,0,0,0|2,0,0]=4 565 B10R1.13 O=C(O)C1=NC=C(F)C=C1 CS10387 [1,1,0,0,0,0|2,0,0]=4 566 B10R1.13 O=C(O)C1=NC=C(I)C=C1 CS10412 [1,1,0,0,0,0|2,0,0]=4 567 B10R1.13 O=C(O)C1=NC=C(O)C=C1 CS22997 [1,1,0,0,0,0|2,0,0]=4 568 B10R1.13 O=C([O-])C1=CC=C(Br)C=C1 MC40334 [1,1,0,0,0,0|1,0,0]=3 569 B10R1.13 O=C([O-])C1=CC=C(Cl)C=C1 MC40337 [1,1,0,0,0,0|1,0,0]=3 570 B10R1.13 O=C([O-])C1=CC=C(F)C=C1 MC40351 [1,1,0,0,0,0|1,0,0]=3 571 B10R1.13 O=C1C=CC(C(F)F)=CN1 MC432336 [1,1,0,0,0,0|2,0,0]=4 572 B10R1.13 O=[N+]([O-])C1=CC=C(Br)C=C1 CS18786 [1,1,0,0,0,0|2,0,0]=4 573 B10R1.13 O=[N+]([O-])C1=CC=C(F)C=C1 CS22843 [1,1,0,0,0,0|2,0,0]=4 574 B10R1.13 O=[N+]([O-])C1=CC=C(I)C=C1 CS19234 [1,1,0,0,0,0|2,0,0]=4 575 B10R1.13 O=[N+]([O-])C1=CC=C(O)C=C1 MC41207 [1,1,0,0,0,0|2,0,0]=4 576 B10R1.13 O=[N+]([O-])c1ccc(Cl)cc1 MC41577 [1,1,0,0,0,0|2,0,0]=4 577 B10R1.13 OC1=CC=C(C(F)F)C=C1 CS15692 [1,1,0,0,0,0|1,0,1]=4 578 B10R1.25 CC1=C(C=O)C=CC(Br)=C1 CS22653 [1,1,0,0,0,0|1,0,0]=3 579 B10R1.25 CC1=C(C=O)C=CC(Br)=N1 MC443390 [1,1,0,0,0,0|2,0,0]=4 580 B10R1.25 CC1=C(C=O)C=CC(Cl)=C1 CS20823 [1,1,0,0,0,0|1,0,0]=3 581 B10R1.25 CC1=C(C=O)C=CC(F)=C1 CS10809 [1,1,0,0,0,0|1,0,0]=3 582 B10R1.25 CC1=C(C=O)C=CC(N)=N1 MC430302 [1,1,0,0,0,0|2,0,0]=4 583 B10R1.25 CC1=C(C=O)C=CC(O)=C1 CS20933 [1,1,0,0,0,0|1,0,0]=3 584 B10R1.25 CC1=C(CCl)C=CC(Br)=C1 MC107510 [1,1,0,0,0,0|2,0,0]=4 585 B10R1.25 CC1=C(CN)C=CC(Br)=C1 MC20891 [1,1,0,0,0,0|2,0,0]=4 586 B10R1.25 CC1=C(CN)C=CC(F)=C1 MC40830 [1,1,0,0,0,0|2,0,0]=4 587 B10R1.25 CC1=C(CN)C=CC(O)=C1 MC442240 [1,1,0,0,0,0|1,0,1]=4 588 B10R1.25 CC1=C(CO)C=CC(Br)=C1 MC433849 [1,1,0,0,0,0|2,0,0]=4 589 B10R1.25 CC1=CC(Br)=C(C#N)C=C1 CS21363 [1,1,0,0,0,0|1,0,1]=4 590 B10R1.25 CC1=CC(Br)=C(C=O)C=C1 CS20803 [1,1,0,0,0,0|0,0,0]=2 591 B10R1.25 CC1=CC(Br)=C(CN)C=C1 MC112223 [1,1,0,0,0,0|1,0,1]=4 592 B10R1.25 CC1=CC(Br)=CN=C1C=O MC428377 [1,1,0,0,0,0|2,0,0]=4 593 B10R1.25 CC1=CC(C)=C(C#N)C=C1 MC40652 [1,1,0,0,0,0|1,0,1]=4 594 B10R1.25 CC1=CC(C)=C(C=O)C=C1 CS21114 [1,1,0,0,0,0|0,0,0]=2 595 B10R1.25 CC1=CC(C)=C(CBr)C=C1 CS21116 [1,1,0,0,0,0|1,0,1]=4 596 B10R1.25 CC1=CC(C)=C(CCl)C=C1 MC40593 [1,1,0,0,0,0|1,0,1]=4 597 B10R1.25 CC1=CC(C)=C(NN)C=C1 CS20500 [1,1,0,0,0,0|2,0,0]=4 598 B10R1.25 CC1=CC(Cl)=C(C#N)C=C1 CS21450 [1,1,0,0,0,0|1,0,1]=4 599 B10R1.25 CC1=CC(Cl)=C(C=O)C=C1 CS21448 [1,1,0,0,0,0|0,0,0]=2 600 B10R1.25 CC1=CC(Cl)=C(NN)C=C1 CS20405 [1,1,0,0,0,0|2,0,0]=4 601 B10R1.25 CC1=CC(Cl)=C(NN)C=C1 MC433989 [1,1,0,0,0,0|2,0,0]=4 602 B10R1.25 CC1=CC(F)=C(C#N)C=C1 CS10736 [1,1,0,0,0,0|1,0,1]=4 603 B10R1.25 CC1=CC(F)=C(C=O)C=C1 MC41116 [1,1,0,0,0,0|0,0,0]=2 604 B10R1.25 CC1=CC(N)=C(C#N)C=C1 CS20911 [1,1,0,0,0,0|1,0,1]=4 605 B10R1.25 CC1=CC(N)=C(CO)C=C1 CS21019 [1,1,0,0,0,0|0,0,2]=4 606 B10R1.25 CC1=CC(O)=C(C#N)C=C1 CS21585 [1,1,0,0,0,0|1,0,1]=4 607 B10R1.25 CC1=CC(O)=C(C=O)C=C1 MC33188 [1,1,0,0,0,0|0,0,0]=2 608 B10R1.25 CC1=CC=C(C=O)C(Br)=N1 MC111591 [1,1,0,0,0,0|1,0,0]=3 609 B10R1.25 CCC1=C(Br)C=C(N)C=C1 MC33284 [1,1,0,0,0,0|1,0,0]=3 610 B10R1.25 CCC1=C(Cl)C=C(N)C=C1 MC442501 [1,1,0,0,0,0|1,0,0]=3 611 B10R1.25 CCC1=C(N)C=C(F)C=C1 MC40914 [1,1,0,0,0,0|1,0,0]=3 612 B10R1.25 CCC1=NC=C(Br)C=C1N MC103443 [1,1,0,0,0,0|2,0,0]=4 613 B10R1.25 CCN1C=CC(Br)=CC1=O MC105073 [1,1,0,0,0,0|2,0,0]=4 614 B10R1.25 CNC1=CC=C(Br)C=C1N MC443280 [1,1,0,0,0,0|2,0,0]=4 615 B10R1.25 COC1=C(Br)C=C(Cl)C=C1 CS20168 [1,1,0,0,0,0|2,0,0]=4 616 B10R1.25 COC1=C(Br)C=C(F)C=C1 MC30075 [1,1,0,0,0,0|2,0,0]=4 617 B10R1.25 COC1=C(Br)C=C(I)C=C1 MC41320 [1,1,0,0,0,0|2,0,0]=4 618 B10R1.25 COC1=C(Br)C=C(N)C=C1 MC20804 [1,1,0,0,0,0|2,0,0]=4 619 B10R1.25 COC1=C(Br)C=C(O)C=C1 CS18795 [1,1,0,0,0,0|1,0,1]=4 620 B10R1.25 COC1=C(C)C=C(Br)C=C1 CS22652 [1,1,0,0,0,0|2,0,0]=4 621 B10R1.25 COC1=C(C)C=C(I)C=C1 MC41343 [1,1,0,0,0,0|2,0,0]=4 622 B10R1.25 COC1=C(C)C=C(N)C=C1 CS18714 [1,1,0,0,0,0|2,0,0]=4 623 B10R1.25 COC1=C(C)C=C(O)C=C1 MC442018 [1,1,0,0,0,0|1,0,1]=4 624 B10R1.25 COC1=C(Cl)C=C(C)C=C1 MC442301 [1,1,0,0,0,0|1,0,1]=4 625 B10R1.25 COC1=C(Cl)C=C(F)C=C1 MC30033 [1,1,0,0,0,0|2,0,0]=4 626 B10R1.25 COC1=C(Cl)C=C(N)C=C1 CS14858 [1,1,0,0,0,0|2,0,0]=4 627 B10R1.25 COC1=C(Cl)C=C(O)C=C1 MC442396 [1,1,0,0,0,0|1,0,1]=4 628 B10R1.25 COC1=C(F)C=C(Br)C=C1 MC30240 [1,1,0,0,0,0|2,0,0]=4 629 B10R1.25 COC1=C(F)C=C(I)C=C1 MC425677 [1,1,0,0,0,0|2,0,0]=4 630 B10R1.25 COC1=C(F)C=C(N)C=C1 CS10515 [1,1,0,0,0,0|2,0,0]=4 631 B10R1.25 COC1=C(F)C=C(O)C=C1 CS22287 [1,1,0,0,0,0|1,0,1]=4 632 B10R1.25 COC1=C(I)C=C(Br)C=C1 CS17024 [1,1,0,0,0,0|2,0,0]=4 633 B10R1.25 COC1=C(I)C=C(Cl)C=C1 MC41330 [1,1,0,0,0,0|2,0,0]=4 634 B10R1.25 COC1=C(I)C=C(N)C=C1 CS18915 [1,1,0,0,0,0|2,0,0]=4 635 B10R1.25 COC1=C(I)C=C(N)C=C1 CS19301 [1,1,0,0,0,0|2,0,0]=4 636 B10R1.25 COC1=C(N)C=C(Br)C=C1 CS10268 [1,1,0,0,0,0|2,0,0]=4 637 B10R1.25 COC1=C(N)C=C(C)C=C1 CS13548 [1,1,0,0,0,0|1,0,1]=4 638 B10R1.25 COC1=C(N)C=C(F)C=C1 MC30206 [1,1,0,0,0,0|2,0,0]=4 639 B10R1.25 COC1=C(N)C=C(I)C=C1 MC428313 [1,1,0,0,0,0|2,0,0]=4 640 B10R1.25 COC1=C(N)C=C(N)C=C1 CS21066 [1,1,0,0,0,0|2,0,0]=4 641 B10R1.25 COC1=C(O)C=C(C)C=C1 MC442401 [1,1,0,0,0,0|1,0,1]=4 642 B10R1.25 COC1=C(O)C=C(Cl)C=C1 MC442017 [1,1,0,0,0,0|2,0,0]=4 643 B10R1.25 COC1=C(O)C=C(F)C=C1 CS15779 [1,1,0,0,0,0|2,0,0]=4 644 B10R1.25 CSC1=C(Br)C=C(Cl)C=C1 MC428294 [1,1,0,0,0,0|2,0,0]=4 645 B10R1.25 CSC1=C(C)C=C(O)C=C1 MC20571 [1,1,0,0,0,0|1,0,1]=4 646 B10R1.25 CSC1=C(F)C=C(F)C=C1 MC430845 [1,1,0,0,0,0|2,0,0]=4 647 B10R1.25 CSC1=C(F)C=C(O)C=C1 MC431554 [1,1,0,0,0,0|1,0,1]=4 648 B10R1.25 ClC1=C(CBr)C=CC(Br)=C1 CS15047 [1,1,0,0,0,0|2,0,0]=4 649 B10R1.25 ClC1=CC(Br)=C(CBr)C=C1 MC40516 [1,1,0,0,0,0|2,0,0]=4 650 B10R1.25 ClC1=CC(Cl)=C(CBr)C=C1 CS21097 [1,1,0,0,0,0|2,0,0]=4 651 B10R1.25 ClCC1=C(Cl)C=C(Cl)C=C1 CS19427 [1,1,0,0,0,0|2,0,0]=4 652 B10R1.25 FC1=C(CBr)C=CC(Br)=C1 MC40521 [1,1,0,0,0,0|2,0,0]=4 653 B10R1.25 FC1=CC(Br)=C(CBr)C=C1 CS20064 [1,1,0,0,0,0|2,0,0]=4 654 B10R1.25 FC1=CC(Cl)=C(CBr)C=C1 MC40529 [1,1,0,0,0,0|2,0,0]=4 655 B10R1.25 FC1=CC(Cl)=C(CCl)C=C1 MC40583 [1,1,0,0,0,0|2,0,0]=4 656 B10R1.25 FC1=CC(F)=C(CBr)C=C1 MC40543 [1,1,0,0,0,0|2,0,0]=4 657 B10R1.25 FC1=CC(F)=C(CCl)C=C1 MC40591 [1,1,0,0,0,0|2,0,0]=4 658 B10R1.25 NC1=C(C=O)C=CC(Br)=C1 CS21241 [1,1,0,0,0,0|1,0,0]=3 659 B10R1.25 NC1=C(C=O)C=CC(Cl)=C1 CS17491 [1,1,0,0,0,0|1,0,0]=3 660 B10R1.25 NC1=C(C=O)C=CC(F)=C1 MC30207 [1,1,0,0,0,0|1,0,0]=3 661 B10R1.25 NC1=C(C=O)C=NC(Cl)=C1 MC432605 [1,1,0,0,0,0|2,0,0]=4 662 B10R1.25 NC1=C(CF)C=CC(F)=C1 MC431124 [1,1,0,0,0,0|2,0,0]=4 663 B10R1.25 NC1=CC(Br)=CN=C1C=O MC103515 [1,1,0,0,0,0|2,0,0]=4 664 B10R1.25 NCC1=C(Cl)C=C(Cl)C=C1 MC40814 [1,1,0,0,0,0|2,0,0]=4 665 B10R1.25 NCC1=C(Cl)C=C(F)C=C1 MC40806 [1,1,0,0,0,0|2,0,0]=4 666 B10R1.25 NCC1=C(F)C=C(Br)C=C1 MC40800 [1,1,0,0,0,0|2,0,0]=4 667 B10R1.25 NCC1=C(F)C=C(Cl)C=C1 MC30230 [1,1,0,0,0,0|2,0,0]=4 668 B10R1.25 NCC1=C(F)C=C(F)C=C1 CS10473 [1,1,0,0,0,0|2,0,0]=4 669 B10R1.25 O=CC1=C(Br)C=C(Br)C=C1 CS16310 [1,1,0,0,0,0|1,0,0]=3 670 B10R1.25 O=CC1=C(Br)C=C(Cl)C=C1 CS15142 [1,1,0,0,0,0|1,0,0]=3 671 B10R1.25 O=CC1=C(Br)C=C(F)C=C1 CS10226 [1,1,0,0,0,0|1,0,0]=3 672 B10R1.25 O=CC1=C(Br)C=C(I)C=C1 CS19853 [1,1,0,0,0,0|1,0,0]=3 673 B10R1.25 O=CC1=C(Br)C=C(O)C=C1 CS16052 [1,1,0,0,0,0|1,0,0]=3 674 B10R1.25 O=CC1=C(Br)N=C(Br)C=C1 MC442210 [1,1,0,0,0,0|2,0,0]=4 675 B10R1.25 O=CC1=C(Cl)C=C(Br)C=C1 CS18762 [1,1,0,0,0,0|1,0,0]=3 676 B10R1.25 O=CC1=C(Cl)C=C(Cl)C=C1 MC33212 [1,1,0,0,0,0|1,0,0]=3 677 B10R1.25 O=CC1=C(Cl)C=C(F)C=C1 CS10260 [1,1,0,0,0,0|1,0,0]=3 678 B10R1.25 O=CC1=C(Cl)C=C(O)C=C1 CS10340 [1,1,0,0,0,0|1,0,0]=3 679 B10R1.25 O=CC1=C(Cl)N=C(Br)C=C1 MC432616 [1,1,0,0,0,0|2,0,0]=4 680 B10R1.25 O=CC1=C(Cl)N=C(F)C=C1 MC431503 [1,1,0,0,0,0|2,0,0]=4 681 B10R1.25 O=CC1=C(F)C=C(Br)C=C1 CS10231 [1,1,0,0,0,0|1,0,0]=3 682 B10R1.25 O=CC1=C(F)C=C(Cl)C=C1 MC20030 [1,1,0,0,0,0|1,0,0]=3 683 B10R1.25 O=CC1=C(F)C=C(F)C=C1 CS18760 [1,1,0,0,0,0|1,0,0]=3 684 B10R1.25 O=CC1=C(F)C=C(I)C=C1 CS10293 [1,1,0,0,0,0|1,0,0]=3 685 B10R1.25 O=CC1=C(F)C=C(O)C=C1 CS10365 [1,1,0,0,0,0|1,0,0]=3 686 B10R1.25 O=CC1=C(F)N=C(Cl)C=C1 MC429309 [1,1,0,0,0,0|2,0,0]=4 687 B10R1.25 O=CC1=C(F)N=C(F)C=C1 MC431754 [1,1,0,0,0,0|2,0,0]=4 688 B10R1.25 O=CC1=C(I)C=C(O)C=C1 CS16844 [1,1,0,0,0,0|1,0,0]=3 689 B10R1.25 O=CC1=C(O)C=C(Br)C=C1 CS20081 [1,1,0,0,0,0|1,0,0]=3 690 B10R1.25 O=CC1=C(O)C=C(Cl)C=C1 CS20105 [1,1,0,0,0,0|1,0,0]=3 691 B10R1.25 O=CC1=C(O)C=C(F)C=C1 CS20130 [1,1,0,0,0,0|1,0,0]=3 692 B10R1.25 O=CC1=C(O)C=C(I)C=C1 MC425567 [1,1,0,0,0,0|1,0,0]=3 693 B10R1.25 O=CC1=C(O)C=C(O)C=C1 CS19428 [1,1,0,0,0,0|1,0,0]=3 694 B10R1.25 O=CC1=CC=C(Cl)N=C1Cl CS19136 [1,1,0,0,0,0|2,0,0]=4 695 B10R1.25 O=CC1=CN=C(Br)C=C1Cl MC33235 [1,1,0,0,0,0|2,0,0]=4 696 B10R1.25 O=CC1=CN=C(Cl)C=C1Cl CS16011 [1,1,0,0,0,0|2,0,0]=4 697 B10R1.25 O=CC1=CN=C(F)C=C1Cl MC429245 [1,1,0,0,0,0|2,0,0]=4 698 B10R1.25 O=CC1=CN=C(F)C=C1F MC429333 [1,1,0,0,0,0|2,0,0]=4 699 B10R1.25 O=CC1=NC=C(Br)C=C1F MC104000 [1,1,0,0,0,0|2,0,0]=4 700 B10R1.25 O=CC1=NC=C(Cl)C=C1Cl CS12974 [1,1,0,0,0,0|2,0,0]=4 701 B10R1.25 O=CC1=NC=C(Cl)C=C1F MC431745 [1,1,0,0,0,0|2,0,0]=4 702 B10R1.25 O=CC1=NC=C(F)C=C1Br MC432007 [1,1,0,0,0,0|2,0,0]=4 703 B10R1.25 O=CC1=NC=C(F)C=C1F MC431534 [1,1,0,0,0,0|2,0,0]=4 704 B10R1.25 OCC1=C(Br)C=C(Br)C=C1 CS21073 [1,1,0,0,0,0|2,0,0]=4 705 B10R1.25 OCC1=C(Cl)C=C(Br)C=C1 MC427221 [1,1,0,0,0,0|2,0,0]=4 706 B10R1.25 OCC1=C(F)C=C(Cl)C=C1 MC40693 [1,1,0,0,0,0|2,0,0]=4 707 B10R1.25 OCC1=C(F)C=C(F)C=C1 MC33159 [1,1,0,0,0,0|2,0,0]=4 708 B10R1.25 OCC1=C(F)C=C(O)C=C1 CS13215 [1,1,0,0,0,0|1,0,1]=4 709 B10R1.25 OCC1=C(O)C=C(Br)C=C1 CS10248 [1,1,0,0,0,0|2,0,0]=4 710 B10R1.176 C=CC1=CC(F)=C(F)C=C1 CS19052 [1,1,0,0,0,0|2,0,0]=4 711 B10R1.176 CC1=C(Br)C=C(C#N)C=C1 MC40627 [1,1,0,0,0,0|1,0,1]=4 712 B10R1.176 CC1=C(Br)C=C(C=O)C=C1 MC41096 [1,1,0,0,0,0|0,0,0]=2 713 B10R1.176 CC1=C(Br)C=C(C=O)C=N1 MC431775 [1,1,0,0,0,0|1,0,0]=3 714 B10R1.176 CC1=C(Br)C=C(CBr)C=C1 CS16721 [1,1,0,0,0,0|1,0,1]=4 715 B10R1.176 CC1=C(Br)C=C(CO)C=C1 MC33229 [1,1,0,0,0,0|0,0,2]=4 716 B10R1.176 CC1=C(Br)C=CC(C=O)=C1 CS22664 [1,1,0,0,0,0|1,0,0]=3 717 B10R1.176 CC1=C(Br)C=CC(CO)=C1 MC111151 [1,1,0,0,0,0|2,0,0]=4 718 B10R1.176 CC1=C(C)C=C(C#N)C=C1 MC40653 [1,1,0,0,0,0|1,0,1]=4 719 B10R1.176 CC1=C(C)C=C(C=O)C=C1 MC33166 [1,1,0,0,0,0|0,0,0]=2 720 B10R1.176 CC1=C(C)C=C(CBr)C=C1 CS14390 [1,1,0,0,0,0|1,0,1]=4 721 B10R1.176 CC1=C(C)C=C(CN)C=C1 MC40823 [1,1,0,0,0,0|1,0,1]=4 722 B10R1.176 CC1=C(C)C=C(CO)C=C1 MC40706 [1,1,0,0,0,0|0,0,2]=4 723 B10R1.176 CC1=C(C)C=C(NN)C=C1 CS20502 [1,1,0,0,0,0|2,0,0]=4 724 B10R1.176 CC1=C(Cl)C=C(C=O)C=C1 MC433130 [1,1,0,0,0,0|0,0,0]=2 725 B10R1.176 CC1=C(Cl)C=C(CN)C=C1 MC433895 [1,1,0,0,0,0|1,0,1]=4 726 B10R1.176 CC1=C(Cl)C=CC(C=O)=C1 MC433419 [1,1,0,0,0,0|1,0,0]=3 727 B10R1.176 CC1=C(F)C=C(C#N)C=C1 CS21928 [1,1,0,0,0,0|1,0,1]=4 728 B10R1.176 CC1=C(F)C=C(C=O)C=C1 MC33065 [1,1,0,0,0,0|0,0,0]=2 729 B10R1.176 CC1=C(F)C=C(NN)C=C1 CS22289 [1,1,0,0,0,0|2,0,0]=4 730 B10R1.176 CC1=C(F)C=CC(C=O)=C1 MC41117 [1,1,0,0,0,0|1,0,0]=3 731 B10R1.176 CC1=C(F)C=CC(C=O)=N1 CS12797 [1,1,0,0,0,0|2,0,0]=4 732 B10R1.176 CC1=C(F)C=CC(CN)=C1 MC40831 [1,1,0,0,0,0|2,0,0]=4 733 B10R1.176 CC1=C(N)C=C(C#N)C=C1 CS15246 [1,1,0,0,0,0|1,0,1]=4 734 B10R1.176 CC1=C(O)C=C(C#N)C=C1 CS10986 [1,1,0,0,0,0|1,0,1]=4 735 B10R1.176 CC1=C(O)C=C(C=O)C=C1 MC41122 [1,1,0,0,0,0|0,0,0]=2 736 B10R1.176 CC1=C(O)C=CC(C=O)=C1 CS20934 [1,1,0,0,0,0|1,0,0]=3 737 B10R1.176 CC1=C(O)C=CC(CN)=C1 MC445599 [1,1,0,0,0,0|1,0,1]=4 738 B10R1.176 CC1=CC(C=O)=CN=C1O MC442266 [1,1,0,0,0,0|2,0,0]=4 739 B10R1.176 CC1=CN=C(C=O)C=C1Br MC102712 [1,1,0,0,0,0|1,0,0]=3 740 B10R1.176 CC1=NC=C(C=O)C=C1F MC431247 [1,1,0,0,0,0|1,0,0]=3 741 B10R1.176 CC1=NC=C(C=O)C=C1O MC430648 [1,1,0,0,0,0|1,0,0]=3 742 B10R1.176 CCC1=CC(N)=C(O)C=C1 MC442496 [1,1,0,0,0,0|0,0,1]=3 743 B10R1.176 CCC1=CC(O)=C(Cl)C=C1 MC432619 [1,1,0,0,0,0|1,0,0]=3 744 B10R1.176 CCC1=CC(O)=C(N)C=C1 CS16266 [1,1,0,0,0,0|1,0,0]=3 745 B10R1.176 CCC1=CC=C(O)C(O)=C1 MC441226 [1,1,0,0,0,0|0,0,1]=3 746 B10R1.176 CN1C=C(CN)C=CC1=O MC103927 [1,1,0,0,0,0|2,0,0]=4 747 B10R1.176 CN1N=CC(C=O)=CC1=O MC111762 [1,1,0,0,0,0|2,0,0]=4 748 B10R1.176 CNC1=CC(Cl)=C(Cl)C=C1 MC433301 [1,1,0,0,0,0|2,0,0]=4 749 B10R1.176 COC1=CC(Br)=C(Br)C=C1 MC433376 [1,1,0,0,0,0|2,0,0]=4 750 B10R1.176 COC1=CC(Br)=C(Br)C=C1 MC442365 [1,1,0,0,0,0|2,0,0]=4 751 B10R1.176 COC1=CC(Br)=C(C)C=C1 CS16376 [1,1,0,0,0,0|1,0,1]=4 752 B10R1.176 COC1=CC(Br)=C(Cl)C=C1 MC433350 [1,1,0,0,0,0|2,0,0]=4 753 B10R1.176 COC1=CC(Br)=C(F)C=C1 CS15238 [1,1,0,0,0,0|2,0,0]=4 754 B10R1.176 COC1=CC(Br)=C(N)C=C1 CS21359 [1,1,0,0,0,0|2,0,0]=4 755 B10R1.176 COC1=CC(Br)=C(O)C=C1 MC30339 [1,1,0,0,0,0|1,0,1]=4 756 B10R1.176 COC1=CC(Br)=C(O)C=C1 MC41160 [1,1,0,0,0,0|1,0,1]=4 757 B10R1.176 COC1=CC(C)=C(Br)C=C1 MC33099 [1,1,0,0,0,0|2,0,0]=4 758 B10R1.176 COC1=CC(C)=C(N)C=C1 CS13421 [1,1,0,0,0,0|2,0,0]=4 759 B10R1.176 COC1=CC(C)=C(O)C=C1 CS15470 [1,1,0,0,0,0|1,0,1]=4 760 B10R1.176 COC1=CC(Cl)=C(Br)C=C1 CS14601 [1,1,0,0,0,0|2,0,0]=4 761 B10R1.176 COC1=CC(Cl)=C(C)C=C1 MC41331 [1,1,0,0,0,0|1,0,1]=4 762 B10R1.176 COC1=CC(Cl)=C(Cl)C=C1 MC41335 [1,1,0,0,0,0|2,0,0]=4 763 B10R1.176 COC1=CC(Cl)=C(I)C=C1 MC442237 [1,1,0,0,0,0|2,0,0]=4 764 B10R1.176 COC1=CC(Cl)=C(N)C=C1 CS14656 [1,1,0,0,0,0|2,0,0]=4 765 B10R1.176 COC1=CC(Cl)=C(O)C=C1 CS20293 [1,1,0,0,0,0|1,0,1]=4 766 B10R1.176 COC1=CC(F)=C(Br)C=C1 CS10396 [1,1,0,0,0,0|2,0,0]=4 767 B10R1.176 COC1=CC(F)=C(C)C=C1 CS10872 [1,1,0,0,0,0|1,0,1]=4 768 B10R1.176 COC1=CC(F)=C(Cl)C=C1 MC33148 [1,1,0,0,0,0|2,0,0]=4 769 B10R1.176 COC1=CC(F)=C(N)C=C1 MC40916 [1,1,0,0,0,0|2,0,0]=4 770 B10R1.176 COC1=CC(F)=C(N)C=C1 MC433345 [1,1,0,0,0,0|2,0,0]=4 771 B10R1.176 COC1=CC(F)=C(O)C=C1 MC441061 [1,1,0,0,0,0|1,0,1]=4 772 B10R1.176 COC1=CC(I)=C(Br)C=C1 MC433361 [1,1,0,0,0,0|2,0,0]=4 773 B10R1.176 COC1=CC(I)=C(N)C=C1 MC20577 [1,1,0,0,0,0|2,0,0]=4 774 B10R1.176 COC1=CC(N)=C(Br)C=C1 CS18386 [1,1,0,0,0,0|2,0,0]=4 775 B10R1.176 COC1=CC(N)=C(C)C=C1 CS14868 [1,1,0,0,0,0|1,0,1]=4 776 B10R1.176 COC1=CC(N)=C(Cl)C=C1 CS13990 [1,1,0,0,0,0|2,0,0]=4 777 B10R1.176 COC1=CC(N)=C(F)C=C1 CS12726 [1,1,0,0,0,0|2,0,0]=4 778 B10R1.176 COC1=CC(N)=C(I)C=C1 CS15023 [1,1,0,0,0,0|2,0,0]=4 779 B10R1.176 COC1=CC(N)=C(I)C=C1 MC30213 [1,1,0,0,0,0|2,0,0]=4 780 B10R1.176 COC1=CC(N)=C(N)C=C1 MC433373 [1,1,0,0,0,0|2,0,0]=4 781 B10R1.176 COC1=CC(N)=C(O)C=C1 CS21254 [1,1,0,0,0,0|1,0,1]=4 782 B10R1.176 COC1=CC(O)=C(Br)C=C1 CS21376 [1,1,0,0,0,0|2,0,0]=4 783 B10R1.176 COC1=CC(O)=C(Cl)C=C1 MC442395 [1,1,0,0,0,0|2,0,0]=4 784 B10R1.176 COC1=CC(O)=C(F)C=C1 MC430013 [1,1,0,0,0,0|2,0,0]=4 785 B10R1.176 COC1=CC(O)=C(N)C=C1 CS21584 [1,1,0,0,0,0|2,0,0]=4 786 B10R1.176 COC1=CC=C(O)C(O)=C1 MC442392 [1,1,0,0,0,0|1,0,1]=4 787 B10R1.176 CSC1=CC(F)=C(Br)C=C1 MC41376 [1,1,0,0,0,0|2,0,0]=4 788 B10R1.176 ClC1=C(Br)C=CC(CBr)=C1 MC40517 [1,1,0,0,0,0|2,0,0]=4 789 B10R1.176 ClC1=C(Cl)C=C(CBr)C=C1 CS18826 [1,1,0,0,0,0|2,0,0]=4 790 B10R1.176 ClCC1=CC(Cl)=C(Cl)C=C1 MC40590 [1,1,0,0,0,0|2,0,0]=4 791 B10R1.176 Cn1ccc(C=O)cc1=O MC103763 [1,1,0,0,0,0|1,0,0]=3 792 B10R1.176 FC1=C(Br)C=C(CBr)C=C1 MC40520 [1,1,0,0,0,0|2,0,0]=4 793 B10R1.176 FC1=C(Br)C=CC(CBr)=C1 MC40522 [1,1,0,0,0,0|2,0,0]=4 794 B10R1.176 FC1=C(Cl)C=C(CBr)C=C1 MC20082 [1,1,0,0,0,0|2,0,0]=4 795 B10R1.176 FC1=C(Cl)C=C(CCl)C=C1 MC40584 [1,1,0,0,0,0|2,0,0]=4 796 B10R1.176 FC1=C(Cl)C=CC(CBr)=C1 CS19666 [1,1,0,0,0,0|2,0,0]=4 797 B10R1.176 FC1=C(Cl)C=CC(CCl)=C1 MC40585 [1,1,0,0,0,0|2,0,0]=4 798 B10R1.176 FC1=C(F)C=C(CBr)C=C1 MC40546 [1,1,0,0,0,0|2,0,0]=4 799 B10R1.176 FC1=C(F)C=C(CCl)C=C1 MC433089 [1,1,0,0,0,0|2,0,0]=4 800 B10R1.176 NC1=NC=C(C=O)C=C1Br MC432272 [1,1,0,0,0,0|2,0,0]=4 801 B10R1.176 NCC1=CC(Br)=C(F)C=C1 MC40799 [1,1,0,0,0,0|2,0,0]=4 802 B10R1.176 NCC1=CC(Cl)=C(Cl)C=C1 MC433898 [1,1,0,0,0,0|2,0,0]=4 803 B10R1.176 NCC1=CC(Cl)=C(F)C=C1 MC30276 [1,1,0,0,0,0|2,0,0]=4 804 B10R1.176 NCC1=CC(F)=C(Br)C=C1 MC425051 [1,1,0,0,0,0|2,0,0]=4 805 B10R1.176 NCC1=CC(F)=C(Cl)C=C1 MC33195 [1,1,0,0,0,0|2,0,0]=4 806 B10R1.176 NCC1=CC(F)=C(F)C=C1 MC33192 [1,1,0,0,0,0|2,0,0]=4 807 B10R1.176 NCC1=CC(O)=C(O)C=C1 MC425646 [1,1,0,0,0,0|1,0,1]=4 808 B10R1.176 O=CC1=CC(Br)=C(Br)C=C1 MC430425 [1,1,0,0,0,0|1,0,0]=3 809 B10R1.176 O=CC1=CC(Br)=C(Cl)C=C1 CS12700 [1,1,0,0,0,0|1,0,0]=3 810 B10R1.176 O=CC1=CC(Br)=C(F)C=C1 CS10229 [1,1,0,0,0,0|1,0,0]=3 811 B10R1.176 O=CC1=CC(Br)=C(O)C=C1 MC20184 [1,1,0,0,0,0|1,0,0]=3 812 B10R1.176 O=CC1=CC(Cl)=C(Br)C=C1 CS12259 [1,1,0,0,0,0|1,0,0]=3 813 B10R1.176 O=CC1=CC(Cl)=C(Cl)C=C1 CS19889 [1,1,0,0,0,0|1,0,0]=3 814 B10R1.176 O=CC1=CC(Cl)=C(F)C=C1 MC20026 [1,1,0,0,0,0|1,0,0]=3 815 B10R1.176 O=CC1=CC(F)=C(Br)C=C1 CS10232 [1,1,0,0,0,0|1,0,0]=3 816 B10R1.176 O=CC1=CC(F)=C(Cl)C=C1 CS10264 [1,1,0,0,0,0|1,0,0]=3 817 B10R1.176 O=CC1=CC(F)=C(F)C=C1 CS14168 [1,1,0,0,0,0|1,0,0]=3 818 B10R1.176 O=CC1=CC(F)=C(I)C=C1 CS10296 [1,1,0,0,0,0|1,0,0]=3 819 B10R1.176 O=CC1=CC(F)=C(O)C=C1 CS10367 [1,1,0,0,0,0|1,0,0]=3 820 B10R1.176 O=CC1=CC(I)=C(Br)C=C1 MC431061 [1,1,0,0,0,0|1,0,0]=3 821 B10R1.176 O=CC1=CC(I)=C(Cl)C=C1 MC441220 [1,1,0,0,0,0|1,0,0]=3 822 B10R1.176 O=CC1=CC(I)=C(F)C=C1 MC20286 [1,1,0,0,0,0|1,0,0]=3 823 B10R1.176 O=CC1=CC(I)=C(I)C=C1 MC431060 [1,1,0,0,0,0|1,0,0]=3 824 B10R1.176 O=CC1=CC(I)=C(O)C=C1 MC429971 [1,1,0,0,0,0|1,0,0]=3 825 B10R1.176 O=CC1=CC(O)=C(Br)C=C1 MC41092 [1,1,0,0,0,0|1,0,0]=3 826 B10R1.176 O=CC1=CC(O)=C(Cl)C=C1 CS15259 [1,1,0,0,0,0|1,0,0]=3 827 B10R1.176 O=CC1=CC(O)=C(F)C=C1 MC41115 [1,1,0,0,0,0|1,0,0]=3 828 B10R1.176 O=CC1=CC(O)=C(O)C=C1 CS18720 [1,1,0,0,0,0|1,0,0]=3 829 B10R1.176 O=CC1=CN=C(Br)C(F)=C1 CS18127 [1,1,0,0,0,0|2,0,0]=4 830 B10R1.176 O=CC1=CN=C(Cl)C(Cl)=C1 MC33386 [1,1,0,0,0,0|2,0,0]=4 831 B10R1.176 O=CC1=CNC(=O)C(Br)=C1 MC430621 [1,1,0,0,0,0|2,0,0]=4 832 B10R1.176 O=CC1=CNC(=O)C(Cl)=C1 MC430658 [1,1,0,0,0,0|2,0,0]=4 833 B10R1.176 OCC1=CC(Br)=C(Cl)C=C1 MC40686 [1,1,0,0,0,0|2,0,0]=4 834 B10R1.176 OCC1=CC(Br)=C(O)C=C1 CS21356 [1,1,0,0,0,0|1,0,1]=4 835 B10R1.176 OCC1=CC(Cl)=C(Cl)C=C1 CS18809 [1,1,0,0,0,0|2,0,0]=4 836 B10R1.176 OCC1=CC(Cl)=C(F)C=C1 MC30274 [1,1,0,0,0,0|2,0,0]=4 837 B10R1.176 OCC1=CC(F)=C(Br)C=C1 CS20190 [1,1,0,0,0,0|2,0,0]=4 838 B10R1.176 OCC1=CC(F)=C(Cl)C=C1 MC40694 [1,1,0,0,0,0|2,0,0]=4 839 B10R1.176 OCC1=CC(F)=C(F)C=C1 CS19362 [1,1,0,0,0,0|2,0,0]=4 840 B10R1.176 OCC1=CC(O)=C(Br)C=C1 CS16027 [1,1,0,0,0,0|2,0,0]=4 841 B10R1.176 OCC1=CC(O)=C(I)C=C1 MC33283 [1,1,0,0,0,0|2,0,0]=4 842 B10R1.31 O=C(O)C1=CC=C(CO)O1 CS19449 [0,1,0,0,1,0|2,0,0]=4 843 B10R1.96 CCCN1C=NC(C=O)=C1 MC105762 [0,1,0,0,1,0|2,0,0]=4 844 B12R1.5 CCC(=O)C1=CC=C(CC)C=C1 MC433261 [0,2,0,0,0,0|0,0,0]=2 845 B12R1.5 CCC1=CC=C(C(=O)CBr)C=C1 MC442572 [0,2,0,0,0,0|0,0,0]=2 846 B12R1.5 COC(=O)C1=CC=C(C#N)C=C1 CS22286 [0,2,0,0,0,0|1,0,1]=4 847 B12R1.5 COC(=O)C1=CC=C(C=O)C=C1 CS21634 [0,2,0,0,0,0|0,0,1]=3 848 B12R1.5 COC(=O)C1=CC=C(CBr)C=C1 CS21991 [0,2,0,0,0,0|1,0,0]=3 849 B12R1.5 COC(=O)C1=CC=C(CN)C=C1 CS18814 [0,2,0,0,0,0|1,0,0]=3 850 B12R1.5 COC(=O)C1=CC=C(OC)C=C1 CS18683 [0,2,0,0,0,0|1,0,0]=3 851 B12R1.5 COC(=O)C1=CN=C(C=O)C=C1 CS11664 [0,2,0,0,0,0|1,0,1]=4 852 B12R1.5 COC(=O)C1=CN=C(CO)C=C1 CS14996 [0,2,0,0,0,0|2,0,0]=4 853 B12R1.5 COC(=O)C1=CN=C(OC)C=C1 CS10880 [0,2,0,0,0,0|2,0,0]=4 854 B12R1.5 COC(=O)C1=NC=C(CO)C=C1 MC431233 [0,2,0,0,0,0|2,0,0]=4 855 B12R1.5 COC1=CC=C(C(=O)CCl)C=C1 MC41239 [0,2,0,0,0,0|1,0,0]=3 856 B12R1.5 COC1=CC=C(C(=O)CN)C=C1 CS21179 [0,2,0,0,0,0|1,0,0]=3 857 B12R1.5 COC1=CC=C(C(O)CN)C=C1 MC431260 [0,2,0,0,0,0|2,0,0]=4 858 B12R1.5 N#CC1=CC=C(C(=O)CBr)C=C1 MC426060 [0,2,0,0,0,0|1,0,1]=4 859 B12R1.5 N#CC1=CC=C(C(=O)NN)C=C1 MC443529 [0,2,0,0,0,0|1,0,1]=4 860 B12R1.6 C=CC1=CC=C(C(F)(F)F)C=C1 MC41566 [0,2,0,0,0,0|2,0,0]=4 861 B12R1.6 CC(C)(C)C1=CC=C(CCl)C=C1 MC445129 [0,2,0,0,0,0|1,0,1]=4 862 B12R1.6 CC(C)(C)C1=CC=C(NN)C=C1 CS11191 [0,2,0,0,0,0|2,0,0]=4 863 B12R1.6 CC(C)(C)C1=NC=C(C=O)C=C1 MC106567 [0,2,0,0,0,0|1,0,0]=3 864 B12R1.6 CC(C)(N)C1=CC=C(C#N)C=C1 MC100044 [0,2,0,0,0,0|1,0,1]=4 865 B12R1.6 CC(F)(F)C1=CC=C(C=O)C=C1 MC105908 [0,2,0,0,0,0|0,0,0]=2 866 B12R1.6 CC(F)(F)C1=CC=C(CO)C=C1 MC106100 [0,2,0,0,0,0|0,0,2]=4 867 B12R1.6 COC1=CC=C(C(C)(C)C)C=C1 MC41350 [0,2,0,0,0,0|2,0,0]=4 868 B12R1.6 COC1=CC=C(S(=O)(=O)Cl)C=C1 CS20296 [0,2,0,0,0,0|2,0,0]=4 869 B12R1.6 CS(=O)(=O)C1=CC=C(C=O)C=C1 CS20950 [0,2,0,0,0,0|1,0,0]=3 870 B12R1.6 CS(=O)(=O)C1=CC=C(CBr)C=C1 CS19124 [0,2,0,0,0,0|2,0,0]=4 871 B12R1.6 CS(=O)(=O)C1=CC=C(CN)C=C1 MC40838 [0,2,0,0,0,0|2,0,0]=4 872 B12R1.6 CS(=O)(=O)C1=CC=C(CO)C=C1 MC40723 [0,2,0,0,0,0|2,0,0]=4 873 B12R1.6 CS(=O)(=O)C1=NC=C(C=O)C=C1 MC443518 [0,2,0,0,0,0|2,0,0]=4 874 B12R1.6 NCC1=CC=C(S(N)(=O)=O)C=C1 CS11562 [0,2,0,0,0,0|2,0,0]=4 875 B12R1.6 NCC1=CC=C(S(N)(=O)=O)C=C1 CS19591 [0,2,0,0,0,0|2,0,0]=4 876 B12R1.6 NS(=O)(=O)C1=CC=C(CBr)C=C1 MC40402 [0,2,0,0,0,0|2,0,0]=4 877 B12R1.6 O=CC1=CC=C(C(F)(F)F)C=C1 CS14458 [0,2,0,0,0,0|1,0,0]=3 878 B12R1.6 O=CC1=CN=C(C(F)(F)F)C=C1 CS18279 [0,2,0,0,0,0|2,0,0]=4 879 B12R1.6 O=CC1=NC=C(C(F)(F)F)C=C1 CS17534 [0,2,0,0,0,0|2,0,0]=4 880 B12R1.6 O=S(=O)(Cl)C1=CC=C(CBr)C=C1 MC40360 [0,2,0,0,0,0|2,0,0]=4 881 B12R1.6 O=S(=O)([O-])C1=CC=C(CBr)C=C1 MC428136 [0,2,0,0,0,0|2,0,0]=4 882 B12R1.48 CC(=O)C1=CC(Br)=C(C#N)C=C1 MC433722 [0,2,0,0,0,0|1,0,1]=4 883 B12R1.48 CC(=O)C1=CC(C)=C(C#N)C=C1 MC433227 [0,2,0,0,0,0|1,0,1]=4 884 B12R1.48 CC(C)C1=CC(O)=C(C=O)C=C1 MC425405 [0,2,0,0,0,0|0,0,0]=2 885 B12R1.48 CC(C)C1=NC(Cl)=C(C=O)C=C1 MC432248 [0,2,0,0,0,0|1,0,0]=3 886 B12R1.48 CC1=C(C#N)C=CC(C(=O)O)=C1 CS15153 [0,2,0,0,0,0|1,0,1]=4 887 B12R1.48 CCC1=C(Br)C=C([N+](=O)[O-])C=C1 MC106860 [0,2,0,0,0,0|1,0,0]=3 888 B12R1.48 CCC1=C(N)C=C(C(=O)O)C=C1 CS14645 [0,2,0,0,0,0|0,0,0]=2 889 B12R1.48 CCC1=C(N)C=C([N+](=O)[O-])C=C1 MC42306 [0,2,0,0,0,0|1,0,0]=3 890 B12R1.48 CN(C)C1=CC(O)=C(C=O)C=C1 CS22463 [0,2,0,0,0,0|1,0,0]=3 891 B12R1.48 CNC1=C(Br)C=C(C(=O)O)C=C1 CS17356 [0,2,0,0,0,0|1,0,0]=3 892 B12R1.48 CNc1ccc([N+](=O)[O-])cc1N MC42214 [0,2,0,0,0,0|2,0,0]=4 893 B12R1.48 COC1=C(Br)C=C(C(=O)O)C=N1 MC111592 [0,2,0,0,0,0|2,0,0]=4 894 B12R1.48 COC1=C(Br)C=C(C(C)=O)C=C1 CS11019 [0,2,0,0,0,0|1,0,0]=3 895 B12R1.48 COC1=C(Br)C=C(C(C)N)C=C1 MC112069 [0,2,0,0,0,0|2,0,0]=4 896 B12R1.48 COC1=C(Br)C=C(C(N)=O)C=N1 MC100060 [0,2,0,0,0,0|2,0,0]=4 897 B12R1.48 COC1=C(Br)C=C([N+](=O)[O-])C=C1 MC41322 [0,2,0,0,0,0|2,0,0]=4 898 B12R1.48 COC1=C(Br)N=C(C(=O)O)C=C1 CS10651 [0,2,0,0,0,0|2,0,0]=4 899 B12R1.48 COC1=C(C)C=C(C(=O)O)C=C1 MC30268 [0,2,0,0,0,0|1,0,0]=3 900 B12R1.48 COC1=C(C)C=C(C(C)=O)C=C1 MC41263 [0,2,0,0,0,0|1,0,0]=3 901 B12R1.48 COC1=C(C)C=C([N+](=O)[O-])C=C1 MC433395 [0,2,0,0,0,0|2,0,0]=4 902 B12R1.48 COC1=C(Cl)C=C(C(=O)O)C=C1 MC30277 [0,2,0,0,0,0|1,0,0]=3 903 B12R1.48 COC1=C(Cl)C=C([N+](=O)[O-])C=C1 CS20211 [0,2,0,0,0,0|2,0,0]=4 904 B12R1.48 COC1=C(F)C=C(C(=O)Cl)C=C1 MC40477 [0,2,0,0,0,0|1,0,0]=3 905 B12R1.48 COC1=C(F)C=C(C(=O)O)C=C1 MC30258 [0,2,0,0,0,0|1,0,0]=3 906 B12R1.48 COC1=C(F)C=C(C(C)=O)C=N1 MC429308 [0,2,0,0,0,0|2,0,0]=4 907 B12R1.48 COC1=C(F)C=C([N+](=O)[O-])C=C1 MC33142 [0,2,0,0,0,0|2,0,0]=4 908 B12R1.48 COC1=C(I)C=C([N+](=O)[O-])C=C1 MC41344 [0,2,0,0,0,0|2,0,0]=4 909 B12R1.48 COC1=C(N)C=C(C(=O)O)C=C1 MC40229 [0,2,0,0,0,0|1,0,0]=3 910 B12R1.48 COC1=C(N)C=C(C(C)C)C=C1 MC106490 [0,2,0,0,0,0|2,0,0]=4 911 B12R1.48 COC1=C(N)C=C([N+](=O)[O-])C=C1 CS15591 [0,2,0,0,0,0|2,0,0]=4 912 B12R1.48 COC1=C(N)C=C([N+](=O)[O-])C=C1 MC40927 [0,2,0,0,0,0|2,0,0]=4 913 B12R1.48 COC1=C(O)C=C(C(=O)O)C=C1 CS10864 [0,2,0,0,0,0|1,0,0]=3 914 B12R1.48 COC1=C(O)C=C(C(C)=O)C=C1 CS22927 [0,2,0,0,0,0|1,0,0]=3 915 B12R1.48 COC1=C(O)C=C([N+](=O)[O-])C=C1 CS15430 [0,2,0,0,0,0|2,0,0]=4 916 B12R1.48 COC1=CN=C(C(=O)O)C=C1Cl MC104263 [0,2,0,0,0,0|2,0,0]=4 917 B12R1.48 COC1=CN=C(C(=O)O)C=C1O MC431993 [0,2,0,0,0,0|2,0,0]=4 918 B12R1.48 COC1=NC=C(C(=O)O)C=C1Cl MC20740 [0,2,0,0,0,0|2,0,0]=4 919 B12R1.48 COC1=NC=C(C(=O)O)C=C1F CS13290 [0,2,0,0,0,0|2,0,0]=4 920 B12R1.48 COc1ccc(C(C)=O)cc1F MC30259 [0,2,0,0,0,0|1,0,0]=3 921 B12R1.48 N#CC1=C(F)C=C(C(=O)O)C=C1 CS13841 [0,2,0,0,0,0|1,0,1]=4 922 B12R1.48 NC1=C(CO)C=CC([N+](=O)[O-])=C1 CS20384 [0,2,0,0,0,0|2,0,0]=4 923 B12R1.48 NCC1=C(F)C=C([N+](=O)[O-])C=C1 CS15688 [0,2,0,0,0,0|2,0,0]=4 924 B12R1.48 O=CC1=C(Br)C=C(C(=O)O)C=C1 MC442234 [0,2,0,0,0,0|1,0,1]=4 925 B12R1.48 O=CC1=C(F)C=C([N+](=O)[O-])C=C1 CS13764 [0,2,0,0,0,0|2,0,0]=4 926 B12R1.48 O=CC1=C(O)C=C(C(=O)O)C=C1 CS18398 [0,2,0,0,0,0|1,0,1]=4 927 B12R1.48 O=CC1=C(O)C=C(C(=O)O)C=C1 MC427435 [0,2,0,0,0,0|1,0,1]=4 928 B12R1.48 O=CC1=C(O)C=C([N+](=O)[O-])C=C1 CS21587 [0,2,0,0,0,0|2,0,0]=4 929 B12R1.48 O=[N+]([O-])C1=CC(Cl)=C(CO)C=C1 CS21453 [0,2,0,0,0,0|2,0,0]=4 930 B12R1.48 O=[N+]([O-])C1=CC(F)=C(CBr)C=C1 MC429616 [0,2,0,0,0,0|2,0,0]=4 931 B12R1.48 O=[N+]([O-])C1=CC(F)=C(CO)C=C1 CS17621 [0,2,0,0,0,0|2,0,0]=4 932 B12R1.113 CC(=O)C1=CC=C(CCBr)C=C1 CS10009 [0,2,0,0,0,0|0,0,0]=2 933 B12R1.113 CC(=O)C1=CC=C(N=C=O)C=C1 MC41029 [0,2,0,0,0,0|0,0,2]=4 934 B12R1.113 CCCC1=CC=C(B(O)O)C=C1 CS10907 [0,2,0,0,0,0|1,0,1]=4 935 B12R1.113 CCOC1=CC=C(B(O)O)C=C1 CS20470 [0,2,0,0,0,0|1,0,1]=4 936 B12R1.113 CCOC1=CC=C(C(=O)Cl)C=C1 MC20583 [0,2,0,0,0,0|0,0,0]=2 937 B12R1.113 CCOC1=CC=C(C(=O)O)C=C1 MC433673 [0,2,0,0,0,0|0,0,0]=2 938 B12R1.113 CCOC1=CC=C(C(C)=O)C=C1 MC33060 [0,2,0,0,0,0|0,0,0]=2 939 B12R1.113 CCOC1=CN=C(C(=O)O)C=N1 CS15253 [0,2,0,0,0,0|2,0,0]=4 940 B12R1.113 CCOC1=NC=C([N+](=O)[O-])C=C1 MC20349 [0,2,0,0,0,0|2,0,0]=4 941 B12R1.113 CN(C)C1=CC=C(CCO)C=C1 CS22462 [0,2,0,0,0,0|2,0,0]=4 942 B12R1.113 CNCC1=CC=C(B(O)O)C=C1 MC443181 [0,2,0,0,0,0|1,0,1]=4 943 B12R1.113 COCC1=CC=C(B(O)O)C=C1 MC431182 [0,2,0,0,0,0|1,0,1]=4 944 B12R1.113 COCC1=CC=C(C(=O)O)C=C1 MC40299 [0,2,0,0,0,0|0,0,0]=2 945 B12R1.113 N#CCC1=CC=C([N+](=O)[O-])C=C1 CS14985 [0,2,0,0,0,0|1,0,1]=4 946 B12R1.113 NCCC1=CC=C([N+](=O)[O-])C=C1 CS10544 [0,2,0,0,0,0|1,0,0]=3 947 B12R1.113 O=C(O)C1=CC=C(CCBr)C=C1 MC40240 [0,2,0,0,0,0|0,0,0]=2 948 B12R1.113 O=[N+]([O-])C1=CC=C(CCBr)C=C1 CS10840 [0,2,0,0,0,0|1,0,0]=3 949 B12R1.113 O=[N+]([O-])C1=CC=C(CCO)C=C1 CS10877 [0,2,0,0,0,0|1,0,0]=3 950 B12R1.113 O=[N+]([O-])C1=CN=C(CCO)C=C1 MC104399 [0,2,0,0,0,0|2,0,0]=4 951 B12R1.256 CC(=O)C1=CC=C(C(=O)O)C=C1 CS21633 [0,2,0,0,0,0|0,0,1]=3 952 B12R1.256 CC(=O)C1=CC=C(C(C)C)N=C1 MC429993 [0,2,0,0,0,0|1,0,0]=3 953 B12R1.256 CC(=O)C1=CC=C(C(F)F)C=C1 CS16652 [0,2,0,0,0,0|1,0,0]=3 954 B12R1.256 CC(=O)C1=CC=C(N(C)C)C=C1 CS10026 [0,2,0,0,0,0|1,0,0]=3 955 B12R1.256 CC(=O)C1=CN=C(C(=O)O)C=C1 MC431646 [0,2,0,0,0,0|1,0,1]=4 956 B12R1.256 CC(C)C1=CC=C(B(O)O)C=C1 CS21202 [0,2,0,0,0,0|1,0,1]=4 957 B12R1.256 CC(C)C1=CC=C(C(=O)O)C=C1 CS11114 [0,2,0,0,0,0|0,0,0]=2 958 B12R1.256 CC(C)C1=CN=C(C(=O)O)C=C1 MC442699 [0,2,0,0,0,0|1,0,0]=3 959 B12R1.256 CC(N)C1=CC=C([N+](=O)[O-])C=C1 MC428054 [0,2,0,0,0,0|1,0,0]=3 960 B12R1.256 CN(C)C1=CC=C(C(=O)O)C=C1 CS13409 [0,2,0,0,0,0|1,0,0]=3 961 B12R1.256 CN(C)C1=CC=C(C(N)=O)C=C1 CS14909 [0,2,0,0,0,0|1,0,0]=3 962 B12R1.256 CN(C)C1=CC=C([N+](=O)[O-])C=C1 MC40907 [0,2,0,0,0,0|2,0,0]=4 963 B12R1.256 N=C(N)C1=CC=C(C(=O)O)C=C1 MC431661 [0,2,0,0,0,0|1,0,1]=4 964 B12R1.256 NC(=O)C1=CC=C(B(O)O)C=C1 CS20360 [0,2,0,0,0,0|2,0,0]=4 965 B12R1.256 NC(=O)C1=CC=C([N+](=O)[O-])C=C1 CS10449 [0,2,0,0,0,0|2,0,0]=4 966 B12R1.256 O=C(Cl)C1=CC=C(C(=O)Cl)C=C1 MC40500 [0,2,0,0,0,0|1,0,1]=4 967 B12R1.256 O=C(Cl)C1=CC=C([N+](=O)[O-])C=C1 MC20943 [0,2,0,0,0,0|2,0,0]=4 968 B12R1.256 O=C(O)C1=CC=C(B(O)O)C=C1 CS20267 [0,2,0,0,0,0|2,0,0]=4 969 B12R1.256 O=C(O)C1=CC=C(C(=O)O)C=C1 MC40320 [0,2,0,0,0,0|1,0,1]=4 970 B12R1.256 O=C(O)C1=CC=C(C(F)F)C=C1 MC429961 [0,2,0,0,0,0|1,0,0]=3 971 B12R1.256 O=C(O)C1=CC=C([N+](=O)[O-])C=C1 CS15330 [0,2,0,0,0,0|2,0,0]=4 972 B12R1.256 O=[N+]([O-])C1=CC=C(C(F)F)C=C1 MC429237 [0,2,0,0,0,0|2,0,0]=4 973 B12R1.452 C=CC1=CC(Cl)=C(C(=O)Cl)C=C1 MC106009 [0,2,0,0,0,0|0,0,2]=4 974 B12R1.452 C=CC1=CC(Cl)=C(C(=O)O)C=C1 MC105944 [0,2,0,0,0,0|0,0,2]=4 975 B12R1.452 CC1=C([N+](=O)[O-])C=CC(C=O)=C1 MC30321 [0,2,0,0,0,0|2,0,0]=4 976 B12R1.452 CC1=C([N+](=O)[O-])C=CC(CO)=C1 MC433870 [0,2,0,0,0,0|2,0,0]=4 977 B12R1.452 COC1=CC(Br)=C(C(=O)O)C=C1 CS13221 [0,2,0,0,0,0|1,0,0]=3 978 B12R1.452 COC1=CC(Br)=C(C(=O)O)C=C1 MC433140 [0,2,0,0,0,0|1,0,0]=3 979 B12R1.452 COC1=CC(C)=C(C(=O)O)C=C1 MC40302 [0,2,0,0,0,0|1,0,0]=3 980 B12R1.452 COC1=CC(C)=C([N+](=O)[O-])C=C1 MC433393 [0,2,0,0,0,0|2,0,0]=4 981 B12R1.452 COC1=CC(Cl)=C(C(=O)O)C=C1 CS13952 [0,2,0,0,0,0|1,0,0]=3 982 B12R1.452 COC1=CC(F)=C(C(=O)O)C=C1 CS14142 [0,2,0,0,0,0|1,0,0]=3 983 B12R1.452 COC1=CC(F)=C(C(=O)O)C=C1 MC433683 [0,2,0,0,0,0|1,0,0]=3 984 B12R1.452 COC1=CC(F)=C(C(C)=O)C=C1 CS21695 [0,2,0,0,0,0|1,0,0]=3 985 B12R1.452 COC1=CC(F)=C([N+](=O)[O-])C=C1 CS20229 [0,2,0,0,0,0|2,0,0]=4 986 B12R1.452 COC1=CC(I)=C(C(=O)O)C=C1 CS16838 [0,2,0,0,0,0|1,0,0]=3 987 B12R1.452 COC1=CC(I)=C([N+](=O)[O-])C=C1 MC433392 [0,2,0,0,0,0|2,0,0]=4 988 B12R1.452 COC1=CC(N)=C(C(=O)O)C=C1 CS18303 [0,2,0,0,0,0|1,0,0]=3 989 B12R1.452 COC1=CC(N)=C(C(N)=O)C=C1 MC111104 [0,2,0,0,0,0|1,0,0]=3 990 B12R1.452 COC1=CC(N)=C([N+](=O)[O-])C=C1 CS20388 [0,2,0,0,0,0|2,0,0]=4 991 B12R1.452 COC1=CC(O)=C(C(C)=O)C=C1 MC20161 [0,2,0,0,0,0|1,0,0]=3 992 B12R1.452 COC1=CC(O)=C([N+](=O)[O-])C=C1 CS20341 [0,2,0,0,0,0|2,0,0]=4 993 B12R1.452 COC1=CN=C(C(=O)O)C(Cl)=C1 CS14407 [0,2,0,0,0,0|2,0,0]=4 994 B12R1.452 COC1=CN=C(C(=O)O)C(F)=C1 MC431674 [0,2,0,0,0,0|2,0,0]=4 995 B12R1.452 COC1=NC(F)=C(C(=O)O)C=C1 MC441124 [0,2,0,0,0,0|2,0,0]=4 996 B12R1.452 COC1=NC=C(C(=O)O)C(N)=C1 MC104037 [0,2,0,0,0,0|2,0,0]=4 997 B12R1.452 CSC1=CC(C)=C(C(=O)O)C=C1 MC40305 [0,2,0,0,0,0|1,0,0]=3 998 B12R1.452 N#CC1=CC(F)=C(C(=O)O)C=C1 CS20614 [0,2,0,0,0,0|1,0,1]=4 999 B12R1.452 O=CC1=CC(Br)=C([N+](=O)[O-])C=C1 CS19648 [0,2,0,0,0,0|2,0,0]=4 1000 B12R1.452 O=CC1=CC(Cl)=C(C(=O)O)C=C1 MC429715 [0,2,0,0,0,0|1,0,1]=4 1001 B12R1.452 O=CC1=CC(F)=C([N+](=O)[O-])C=C1 MC433441 [0,2,0,0,0,0|2,0,0]=4 1002 B12R1.452 O=CC1=CC(O)=C([N+](=O)[O-])C=C1 CS10379 [0,2,0,0,0,0|2,0,0]=4 1003 B12R1.452 O=[N+]([O-])C1=C(F)C=C(CBr)C=C1 MC433865 [0,2,0,0,0,0|2,0,0]=4 1004 B12R1.4 CC(=O)NC1=CC=C(C#N)C=C1 CS22530 [0,2,0,0,0,0|1,0,1]=4 1005 B12R1.4 CC(=O)OC1=CC=C(C=O)C=C1 MC40005 [0,2,0,0,0,0|0,0,1]=3 1006 B12R1.4 CCC1=CC=C(CC(C)=O)C=C1 MC20892 [0,2,0,0,0,0|0,0,0]=2 1007 B12R1.4 COC1=CC=C(CC(=O)O)C=C1 CS13446 [0,2,0,0,0,0|1,0,0]=3 1008 B12R1.4 COC1=CC=C(CC(C)=O)C=C1 CS11110 [0,2,0,0,0,0|1,0,0]=3 1009 B12R1.4 COC1=CC=C(NC(C)=O)C=C1 MC427407 [0,2,0,0,0,0|1,0,0]=3 1010 B12R1.4 COC1=CC=C(NC(C)=S)C=C1 MC427413 [0,2,0,0,0,0|1,1,0]=4 1011 B12R1.4 COC1=CC=C(OC(=O)Cl)C=C1 MC40014 [0,2,0,0,0,0|1,0,0]=3 1012 B12R1.4 N#CC1=CC=C(CC(=O)O)C=C1 CS18357 [0,2,0,0,0,0|1,0,1]=4 1013 B12R1.4 NCC1=CC=C(CC(=O)O)C=C1 CS16100 [0,2,0,0,0,0|1,0,0]=3 1014 B12R1.4 NCC1=CC=C(CC(=O)O)C=C1 MC40138 [0,2,0,0,0,0|1,0,0]=3 1015 B12R1.4 O=C(O)CC1=CC=C(CBr)C=C1 MC40152 [0,2,0,0,0,0|1,0,0]=3 1016 B12R1.4 O=CC1=CC=C(CC(=O)O)C=C1 MC431953 [0,2,0,0,0,0|0,0,1]=3 1017 B12R1.4 O=CC1=CC=C(OC(F)F)C=C1 CS15818 [0,2,0,0,0,0|1,0,0]=3 1018 B12R1.71 C#CC1=CC=C(CCCC)C=C1 CS11680 [0,2,0,0,0,0|1,0,1]=4 1019 B12R1.71 CCC#CC1=CC=C(OC)C=C1 MC103263 [0,2,0,0,0,0|2,0,0]=4 1020 B12R1.71 N#CC1=CC=C(CCCO)C=C1 CS14888 [0,2,0,0,0,0|1,0,1]=4 1021 B12R1.71 O=CC1=CC=C(OCCCl)C=C1 MC41102 [0,2,0,0,0,0|0,0,0]=2 1022 B12R1.114 CCOC1=NC=C(C=O)C=C1F CS16272 [0,2,0,0,0,0|1,0,0]=3 1023 B12R1.116 CCOC1=CC=C(CC#N)C=C1 MC433951 [0,2,0,0,0,0|1,0,1]=4 1024 B12R1.116 COCC1=CC=C(COC)C=C1 MC444622 [0,2,0,0,0,0|0,0,2]=4 1025 B12R1.288 CCOC1=CC(F)=C(C=O)C=C1 CS16789 [0,2,0,0,0,0|0,0,0]=2 1026 B12R1.288 CCOC1=CC(F)=C(CN)C=C1 MC112578 [0,2,0,0,0,0|1,0,1]=4 1027 B12R1.288 CCOC1=CC(O)=C(C=O)C=C1 MC21025 [0,2,0,0,0,0|0,0,0]=2 1028 B12R1.288 COC1=C(O)C=C(CCN)C=C1 MC20884 [0,2,0,0,0,0|2,0,0]=4 1029 B12R1.78 COC1=C(C=O)C=CC(C#N)=C1 CS21535 [0,2,0,0,0,0|1,0,1]=4 1030 B12R1.78 COC1=C(OC)C=C(C=O)C=C1 MC10449 [0,2,0,0,0,0|1,0,0]=3 1031 B12R1.78 COC1=C(OC)N=C(C=O)C=C1 MC431779 [0,2,0,0,0,0|2,0,0]=4 1032 B12R1.78 COC1=CC(C#N)=C(C=O)C=C1 CS21530 [0,2,0,0,0,0|1,0,0]=3 1033 B12R1.78 COC1=CC(OC)=C(C=O)C=C1 CS15286 [0,2,0,0,0,0|1,0,0]=3 1034 B12R1.301 COC1=C(Cl)C=C(C=O)C=C1Cl MC30111 [0,2,0,0,0,0|1,0,0]=3 1035 B12R1.301 COC1=CC(Cl)=C(C=O)C(Cl)=C1 MC433430 [0,2,0,0,0,0|1,0,0]=3 1036 B12R1.301 COC1=CC(F)=C(C=O)C(F)=C1 CS20740 [0,2,0,0,0,0|1,0,0]=3 1037 B12R1.301 CSC1=CC(F)=C(C=O)C(F)=C1 MC431928 [0,2,0,0,0,0|1,0,0]=3 1038 B12R1.301 N#CC1=C(F)C=C(C=O)C=C1F MC20101 [0,2,0,0,0,0|1,0,1]=4 1039 B12R1.301 N#CC1=CC(Cl)=C(C=O)C(Cl)=C1 MC20787 [0,2,0,0,0,0|1,0,1]=4 1040 B12R1.301 N#CC1=CC(F)=C(C=O)C(F)=C1 CS21988 [0,2,0,0,0,0|1,0,1]=4 1041 B12R1.450 COC1=CC(Br)=C(C=O)C=C1O CS10777 [0,2,0,0,0,0|1,0,0]=3 1042 B12R1.450 O=CC1=CC(Br)=C(C=O)C=C1Br CS12989 [0,2,0,0,0,0|1,0,1]=4 1043 B12R1.450 O=CC1=CC(O)=C(C=O)C=C1O MC21018 [0,2,0,0,0,0|1,0,1]=4 1044 B12R1.653 COC1=C(O)C(Cl)=C(C=O)C=C1 MC41104 [0,2,0,0,0,0|1,0,0]=3 1045 B10R1.2 CC1=CC=CC(C=O)=C1C CS10889 [0,0,1,1,0,0|0,0,2]=4 1046 B10R1.2 CC1=CC=CC(C=O)=C1Cl MC33173 [0,0,1,1,0,0|1,0,1]=4 1047 B10R1.2 CC1=CC=CC(C=O)=C1F MC20031 [0,0,1,1,0,0|1,0,1]=4 1048 B10R1.2 CC1=CC=CC(C=O)=C1O CS20930 [0,0,1,1,0,0|1,0,1]=4 1049 B10R1.2 CCC1=C(O)C(F)=CC=C1 MC431776 [0,0,1,1,0,0|2,0,0]=4 1050 B10R1.2 CCC1=C(O)C(O)=CC=C1 MC442025 [0,0,1,1,0,0|1,0,1]=4 1051 B10R1.2 CCC1=CC=CC(Br)=C1O MC442827 [0,0,1,1,0,0|2,0,0]=4 1052 B10R1.2 CCC1=CC=CC(Cl)=C1N MC443589 [0,0,1,1,0,0|2,0,0]=4 1053 B10R1.2 CCC1=CC=CC(Cl)=C1O MC441042 [0,0,1,1,0,0|2,0,0]=4 1054 B10R1.2 CCC1=CC=CC(O)=C1F MC442498 [0,0,1,1,0,0|1,0,1]=4 1055 B12R2.9 N#CC1=CC=C(C2CC2)C=C1 MC106587 [0,1,0,1,0,0|1,0,1]=4 1056 B12R2.44 BrCC1=CC2=C(C=C1)SC=N2 MC431373 [0,1,0,1,0,0|2,0,0]=4 1057 B12R2.44 COC1=CC2=C(C=C1)N=CN2 MC425785 [0,1,0,1,0,0|2,0,0]=4 1058 B12R2.44 COC1=CC2=C(C=C1)N=CS2 CS10718 [0,1,0,1,0,0|1,1,0]=4 1059 B12R2.44 COC1=CC2=C(C=C1)SC=C2 MC111400 [0,1,0,1,0,0|2,0,0]=4 1060 B12R2.44 COC1=CC2=C(C=CO2)C=C1 CS16497 [0,1,0,1,0,0|1,0,1]=4 1061 B12R2.44 COC1=CC2=C(C=CS2)C=C1 CS16120 [0,1,0,1,0,0|1,1,0]=4 1062 B12R2.44 COC1=CC=C2C=CNC2=C1 MC20057 [0,1,0,1,0,0|2,0,0]=4 1063 B12R2.44 COC1=CC=C2C=NNC2=C1 MC425259 [0,1,0,1,0,0|2,0,0]=4 1064 B12R2.44 COC1=CC=C2CCNC2=C1 MC20447 [0,1,0,1,0,0|2,0,0]=4 1065 B12R2.44 COC1=CC=C2CNCC2=C1 CS12707 [0,1,0,1,0,0|2,0,0]=4 1066 B12R2.44 COC1=CC=C2CNCC2=C1 MC100224 [0,1,0,1,0,0|2,0,0]=4 1067 B12R2.44 COC1=CC=C2NC=CC2=C1 CS22068 [0,1,0,1,0,0|2,0,0]=4 1068 B12R2.44 COC1=CC=C2NCCC2=C1 CS17324 [0,1,0,1,0,0|2,0,0]=4 1069 B12R2.44 CSC1=CC=C2NC=CC2=C1 MC106667 [0,1,0,1,0,0|2,0,0]=4 1070 B12R2.44 N#CC1=CC=C2CNCC2=C1 MC443417 [0,1,0,1,0,0|1,0,1]=4 1071 B12R2.44 NCC1=CC2=C(C=CS2)C=C1 MC107109 [0,1,0,1,0,0|1,1,0]=4 1072 B12R2.44 NCC1=CC=C2C=NNC2=C1 MC444408 [0,1,0,1,0,0|2,0,0]=4 1073 B12R2.44 NCC1=CC=C2NC=CC2=C1 MC425742 [0,1,0,1,0,0|2,0,0]=4 1074 B12R2.44 O=CC1=CC2=C(C=C1)N=CO2 CS15841 [0,1,0,1,0,0|1,0,1]=4 1075 B12R2.44 O=CC1=CC2=C(C=C1)N=CS2 MC427239 [0,1,0,1,0,0|1,0,1]=4 1076 B12R2.44 O=CC1=CC2=C(C=C1)OC=C2 CS21474 [0,1,0,1,0,0|0,0,2]=4 1077 B12R2.44 O=CC1=CC2=C(C=C1)OC=N2 CS16843 [0,1,0,1,0,0|1,0,1]=4 1078 B12R2.44 O=CC1=CC2=C(C=C1)OCC2 CS21622 [0,1,0,1,0,0|0,0,0]=2 1079 B12R2.44 O=CC1=CC2=C(C=C1)SC=N2 MC115936 [0,1,0,1,0,0|1,0,1]=4 1080 B12R2.44 O=CC1=CC2=C(C=C1)SN=C2 MC105912 [0,1,0,1,0,0|1,0,1]=4 1081 B12R2.44 O=CC1=CC2=C(C=CO2)C=C1 MC441152 [0,1,0,1,0,0|0,0,2]=4 1082 B12R2.44 O=CC1=CC2=C(C=CS2)C=C1 MC441269 [0,1,0,1,0,0|0,0,2]=4 1083 B12R2.44 O=CC1=CC=C2C=CNC2=C1 CS21527 [0,1,0,1,0,0|0,0,2]=4 1084 B12R2.44 O=CC1=CC=C2C=NNC2=C1 MC444140 [0,1,0,1,0,0|1,0,1]=4 1085 B12R2.44 O=CC1=CC=C2NC=CC2=C1 CS21526 [0,1,0,1,0,0|0,0,2]=4 1086 B12R2.44 O=CC1=CC=C2NN=CC2=C1 MC444139 [0,1,0,1,0,0|1,0,1]=4 1087 B12R2.44 OCC1=CC2=C(C=C1)CCO2 MC442824 [0,1,0,1,0,0|0,0,2]=4 1088 B12R2.44 OCC1=CC2=C(C=C1)N=CS2 MC427238 [0,1,0,1,0,0|1,1,0]=4 1089 B8R1.1 CC1=CC(C=O)=CS1 MC443650 [1,0,0,0,1,0|1,0,0]=3 1090 B8R1.1 CC1=CC=C(C=O)N1 CS10436 [1,0,0,0,1,0|1,0,0]=3 1091 B8R1.1 CC1=CC=C(C=O)S1 MC20284 [1,0,0,0,1,0|1,0,0]=3 1092 B8R1.1 CC1=CN=C(C=O)S1 MC425517 [1,0,0,0,1,0|2,0,0]=4 1093 B8R1.1 CC1=COC(C=O)=C1 MC104341 [1,0,0,0,1,0|1,0,0]=3 1094 B8R1.1 CC1=COC(C=O)=N1 MC104070 [1,0,0,0,1,0|2,0,0]=4 1095 B8R1.1 CC1=CSC(C=O)=N1 MC431095 [1,0,0,0,1,0|2,0,0]=4 1096 B8R1.1 CC1=NC=C(C=O)S1 MC21171 [1,0,0,0,1,0|2,0,0]=4 1097 B8R1.1 CC1=NSC(C=O)=C1 MC116147 [1,0,0,0,1,0|2,0,0]=4 1098 B8R1.1 CN1C=C(C=O)C=N1 CS18189 [1,0,0,0,1,0|2,0,0]=4 1099 B8R1.1 CN1C=CC(C=O)=N1 CS18204 [1,0,0,0,1,0|2,0,0]=4 1100 B8R1.1 O=CC1=CC(Br)=CN1 CS14432 [1,0,0,0,1,0|2,0,0]=4 1101 B8R1.1 O=CC1=CC(Br)=CO1 CS22678 [1,0,0,0,1,0|2,0,0]=4 1102 B8R1.1 O=CC1=CC(Br)=CS1 CS22689 [1,0,0,0,1,0|2,0,0]=4 1103 B8R1.1 O=CC1=CC(Cl)=CN1 MC104758 [1,0,0,0,1,0|2,0,0]=4 1104 B8R1.1 O=CC1=CC(F)=CS1 MC114664 [1,0,0,0,1,0|2,0,0]=4 1105 B8R1.1 O=CC1=CC(I)=CS1 CS16582 [1,0,0,0,1,0|2,0,0]=4 1106 B8R1.1 O=CC1=CC=C(Br)S1 CS18323 [1,0,0,0,1,0|2,0,0]=4 1107 B8R1.1 O=CC1=CC=C(I)O1 MC430408 [1,0,0,0,1,0|2,0,0]=4 1108 B8R1.1 O=CC1=CSC(Br)=C1 MC103292 [1,0,0,0,1,0|2,0,0]=4 1109 B10R1.172 CCC1=CC=CC(C#N)=C1 MC433775 [0,0,0,0,1,1|1,0,1]=4 1110 B10R1.172 CCC1=CC=CC(C=O)=C1 CS11688 [0,0,0,0,1,1|0,0,0]=2 1111 B10R1.172 COC1=CC(C=O)=NC=C1 MC425477 [0,0,0,0,1,1|1,0,0]=3 1112 B10R1.172 COC1=CC=CC(C=O)=C1 CS19170 [0,0,0,0,1,1|1,0,0]=3 1113 B10R1.172 COC1=CC=CC(C=O)=N1 CS20321 [0,0,0,0,1,1|2,0,0]=4 1114 B10R1.172 COC1=CN=CC(C=O)=C1 CS17827 [0,0,0,0,1,1|1,0,0]=3 1115 B10R1.172 COC1=NC=CC(C=O)=C1 CS15775 [0,0,0,0,1,1|1,0,0]=3 1116 B10R1.172 COC1=NC=CC(C=O)=N1 CS12643 [0,0,0,0,1,1|2,0,0]=4 1117 B10R1.172 CSC1=NC=CC(C=O)=N1 CS19811 [0,0,0,0,1,1|2,0,0]=4 1118 B10R1.172 N#CC1=CC(C=O)=CC=C1 CS14027 [0,0,0,0,1,1|1,0,1]=4 1119 B10R1.172 NCC1=CC(C=O)=CN=C1 MC33471 [0,0,0,0,1,1|1,0,0]=3 1120 B10R1.172 NCC1=NC=CC(C=O)=C1 MC33470 [0,0,0,0,1,1|1,0,0]=3 1121 B10R1.172 O=CC1=CC(CBr)=CC=C1 MC430420 [0,0,0,0,1,1|1,0,0]=3 1122 B10R1.172 O=CC1=CC=CC(C=O)=C1 CS20788 [0,0,0,0,1,1|1,0,1]=4 1123 B10R1.172 O=CC1=NC=CC(CO)=C1 MC102699 [0,0,0,0,1,1|1,0,0]=3