0 B10R1.1 BrCCC1=CC=C(Br)C=C1 16698 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.1 CC1=CC=C(CC#N)C=C1 28873 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.1 CCCC1=CC=C(Br)C=C1 10762 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.1 CCCC1=CC=C(N)C=N1 26082 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.1 CCCC1=CN=C(Cl)N=C1 7036 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.1 CCCC1=CN=C(S)N=C1 9576 [0,0,0,0,0,0|3,1,0]=4 6 B10R1.1 CCNC1=CC=C(Cl)N=N1 9641 [0,0,0,0,0,0|4,0,0]=4 7 B10R1.1 CCNC1=NC=C(Br)C=C1 22083 [0,0,0,0,0,0|3,0,0]=3 8 B10R1.1 CCOC1=CC=C(Br)C=C1 3138 [0,0,0,0,0,0|1,0,0]=1 9 B10R1.1 CCOC1=CC=C(C)C=C1 3181 [0,0,0,0,0,0|1,0,0]=1 10 B10R1.1 CCOC1=CC=C(Cl)C=C1 3165 [0,0,0,0,0,0|1,0,0]=1 11 B10R1.1 CCOC1=CC=C(F)C=C1 3175 [0,0,0,0,0,0|1,0,0]=1 12 B10R1.1 CCOC1=CC=C(I)C=C1 3177 [0,0,0,0,0,0|1,0,0]=1 13 B10R1.1 CCOC1=CC=C(N)C=C1 9511 [0,0,0,0,0,0|1,0,0]=1 14 B10R1.1 CCOC1=CC=C(O)C=C1 9512 [0,0,0,0,0,0|0,0,0]=0 15 B10R1.1 CCOC1=CN=C(Br)C=C1 5964 [0,0,0,0,0,0|2,0,0]=2 16 B10R1.1 CCOC1=CN=C(Cl)C=C1 6218 [0,0,0,0,0,0|2,0,0]=2 17 B10R1.1 CCOC1=NC=C(Br)C=C1 6235 [0,0,0,0,0,0|2,0,0]=2 18 B10R1.1 CCOC1=NC=C(N)C=C1 6234 [0,0,0,0,0,0|2,0,0]=2 19 B10R1.1 CNCC1=CC=C(C)C=C1 10497 [0,0,0,0,0,0|3,0,0]=3 20 B10R1.1 CNCC1=CC=C(F)C=C1 31250 [0,0,0,0,0,0|3,0,0]=3 21 B10R1.1 C\N=C\C1=CC=C(Cl)N=C1 17586 [0,0,0,0,0,0|4,0,0]=4 22 B10R1.1 ClC1=CC=C(CCBr)C=C1 28821 [0,0,0,0,0,0|3,0,0]=3 23 B10R1.1 ClCCC1=CC=C(Cl)C=C1 28820 [0,0,0,0,0,0|3,0,0]=3 24 B10R1.1 FC1=CC=C(CCBr)C=C1 25674 [0,0,0,0,0,0|3,0,0]=3 25 B10R1.1 FC1=CC=C(CCBr)C=C1 28825 [0,0,0,0,0,0|3,0,0]=3 26 B10R1.1 FC1=CC=C(N=C=S)C=C1 5008 [0,0,0,0,0,0|3,0,1]=4 27 B10R1.1 N#CCC1=CC=C(Br)C=C1 4242 [0,0,0,0,0,0|3,0,1]=4 28 B10R1.1 N#CCC1=CC=C(Cl)C=C1 16502 [0,0,0,0,0,0|3,0,1]=4 29 B10R1.1 N#CCC1=CC=C(F)C=C1 4169 [0,0,0,0,0,0|3,0,1]=4 30 B10R1.1 N#CCC1=CC=C(I)C=C1 19992 [0,0,0,0,0,0|3,0,1]=4 31 B10R1.1 N#CCC1=CC=C(N)C=C1 4233 [0,0,0,0,0,0|3,0,1]=4 32 B10R1.1 N#CCC1=CC=C(O)C=C1 18614 [0,0,0,0,0,0|2,0,1]=3 33 B10R1.1 NC1=CC=C(CCO)C=C1 4580 [0,0,0,0,0,0|3,0,0]=3 34 B10R1.1 NCCC1=CC=C(Br)C=C1 27051 [0,0,0,0,0,0|3,0,0]=3 35 B10R1.1 NCCC1=CC=C(Cl)C=C1 36132 [0,0,0,0,0,0|3,0,0]=3 36 B10R1.1 NCCC1=CC=C(F)C=C1 16712 [0,0,0,0,0,0|3,0,0]=3 37 B10R1.1 NCCC1=CC=C(F)C=C1 29725 [0,0,0,0,0,0|3,0,0]=3 38 B10R1.1 NCCC1=CC=C(N)C=C1 19815 [0,0,0,0,0,0|3,0,0]=3 39 B10R1.1 NCCC1=CC=C(N)C=C1 25418 [0,0,0,0,0,0|3,0,0]=3 40 B10R1.1 NCCC1=CC=C(O)C=C1 16668 [0,0,0,0,0,0|2,0,0]=2 41 B10R1.1 O=C=NC1=CC=C(Br)C=C1 23279 [0,0,0,0,0,0|3,0,1]=4 42 B10R1.1 O=C=NC1=CC=C(F)C=C1 4996 [0,0,0,0,0,0|3,0,1]=4 43 B10R1.1 O=CCC1=CC=C(Cl)C=C1 26501 [0,0,0,0,0,0|3,0,1]=4 44 B10R1.1 OC1=CC=C(CCBr)C=C1 2349 [0,0,0,0,0,0|2,0,0]=2 45 B10R1.1 OCCC1=CC=C(Cl)C=C1 3093 [0,0,0,0,0,0|3,0,0]=3 46 B10R1.1 OCCC1=CC=C(F)C=C1 4585 [0,0,0,0,0,0|3,0,0]=3 47 B10R1.1 OCCC1=CC=C(O)C=C1 9418 [0,0,0,0,0,0|2,0,0]=2 48 B10R1.1 O\N=C\C1=CC=C(F)C=C1 24097 [0,0,0,0,0,0|4,0,0]=4 49 B10R1.1 O\N=C\C1=CC=C(F)C=C1 3479 [0,0,0,0,0,0|4,0,0]=4 50 B10R1.1 S=C=NC1=CC=C(Cl)C=C1 16481 [0,0,0,0,0,0|3,0,1]=4 51 B9R1.1 BrCC1=CC=C(Br)C=C1 7460 [1,0,0,0,0,0|2,0,0]=3 52 B9R1.1 BrCC1=CC=C(I)C=C1 3557 [1,0,0,0,0,0|2,0,0]=3 53 B9R1.1 C#CC1=CC=C(C)C=C1 10922 [1,0,0,0,0,0|1,0,2]=4 54 B9R1.1 C#CC1=CC=C(F)C=C1 16719 [1,0,0,0,0,0|1,0,2]=4 55 B9R1.1 C#CC1=CC=C(I)C=C1 34237 [1,0,0,0,0,0|1,0,2]=4 56 B9R1.1 C#CC1=CC=C(N)C=C1 26130 [1,0,0,0,0,0|1,0,2]=4 57 B9R1.1 C=CC1=CC=C(Cl)C=C1 12659 [1,0,0,0,0,0|1,0,2]=4 58 B9R1.1 C=CC1=CC=C(N)C=C1 12625 [1,0,0,0,0,0|1,0,2]=4 59 B9R1.1 CC1=CC=C(C#N)C=C1 8168 [1,0,0,0,0,0|2,0,1]=4 60 B9R1.1 CC1=CC=C(C=O)C=C1 15497 [1,0,0,0,0,0|2,0,1]=4 61 B9R1.1 CC1=CC=C(CN)C=C1 10199 [1,0,0,0,0,0|2,0,0]=3 62 B9R1.1 CC1=CC=C(CO)C=N1 27403 [1,0,0,0,0,0|3,0,0]=4 63 B9R1.1 CC1=CC=C(NN)C=C1 4500 [1,0,0,0,0,0|3,0,0]=4 64 B9R1.1 CCC1=CC=C(Br)C=C1 3772 [1,0,0,0,0,0|1,0,0]=2 65 B9R1.1 CCC1=CC=C(C)C=C1 21843 [1,0,0,0,0,0|1,0,0]=2 66 B9R1.1 CCC1=CC=C(I)C=C1 3877 [1,0,0,0,0,0|1,0,0]=2 67 B9R1.1 CCC1=CC=C(N)C=C1 26342 [1,0,0,0,0,0|1,0,0]=2 68 B9R1.1 CCC1=CC=C(O)C=C1 3874 [1,0,0,0,0,0|0,0,0]=1 69 B9R1.1 CCC1=CC=C(S)C=C1 6813 [1,0,0,0,0,0|0,1,0]=2 70 B9R1.1 CCC1=CN=C(Br)C=N1 34496 [1,0,0,0,0,0|3,0,0]=4 71 B9R1.1 CCC1=CN=C(C)C=C1 10482 [1,0,0,0,0,0|2,0,0]=3 72 B9R1.1 CCC1=CN=C(C)C=C1 18256 [1,0,0,0,0,0|2,0,0]=3 73 B9R1.1 CCC1=CN=C(Cl)N=C1 7032 [1,0,0,0,0,0|3,0,0]=4 74 B9R1.1 CCC1=NC=C(Br)C=C1 16886 [1,0,0,0,0,0|2,0,0]=3 75 B9R1.1 CCC1=NC=C(Br)C=N1 27970 [1,0,0,0,0,0|3,0,0]=4 76 B9R1.1 CCC1=NC=C(N)C=C1 25855 [1,0,0,0,0,0|2,0,0]=3 77 B9R1.1 CCc1ccc(F)cc1 22752 [1,0,0,0,0,0|1,0,0]=2 78 B9R1.1 CNC1=CC=C(Cl)C=C1 23344 [1,0,0,0,0,0|2,0,0]=3 79 B9R1.1 CNC1=CC=C(I)C=C1 28328 [1,0,0,0,0,0|2,0,0]=3 80 B9R1.1 CNC1=NC=C(Br)C=C1 22084 [1,0,0,0,0,0|3,0,0]=4 81 B9R1.1 COC1=CC=C(Br)C=C1 3726 [1,0,0,0,0,0|1,0,0]=2 82 B9R1.1 COC1=CC=C(C)N=C1 6640 [1,0,0,0,0,0|2,0,0]=3 83 B9R1.1 COC1=CC=C(Cl)C=C1 3616 [1,0,0,0,0,0|1,0,0]=2 84 B9R1.1 COC1=CC=C(F)C=C1 3475 [1,0,0,0,0,0|1,0,0]=2 85 B9R1.1 COC1=CC=C(I)C=C1 3911 [1,0,0,0,0,0|1,0,0]=2 86 B9R1.1 COC1=CC=C(N)C=C1 21392 [1,0,0,0,0,0|1,0,0]=2 87 B9R1.1 COC1=CC=C(N)C=C1 36098 [1,0,0,0,0,0|1,0,0]=2 88 B9R1.1 COC1=CC=C(N)N=N1 9536 [1,0,0,0,0,0|3,0,0]=4 89 B9R1.1 COC1=CC=C(O)C=C1 14584 [1,0,0,0,0,0|0,0,0]=1 90 B9R1.1 COC1=CC=C(O)C=C1 2276 [1,0,0,0,0,0|0,0,0]=1 91 B9R1.1 COC1=CC=C(S)C=C1 6822 [1,0,0,0,0,0|0,1,0]=2 92 B9R1.1 COC1=CC=[N+]([O-])C=C1 2587 [1,0,0,0,0,0|1,0,1]=3 93 B9R1.1 COC1=CN=C(Br)C=C1 15210 [1,0,0,0,0,0|2,0,0]=3 94 B9R1.1 COC1=CN=C(Br)C=N1 27287 [1,0,0,0,0,0|3,0,0]=4 95 B9R1.1 COC1=CN=C(Br)N=C1 26980 [1,0,0,0,0,0|3,0,0]=4 96 B9R1.1 COC1=CN=C(Cl)C=C1 6222 [1,0,0,0,0,0|2,0,0]=3 97 B9R1.1 COC1=CN=C(Cl)C=N1 32145 [1,0,0,0,0,0|3,0,0]=4 98 B9R1.1 COC1=CN=C(Cl)N=C1 13187 [1,0,0,0,0,0|3,0,0]=4 99 B9R1.1 COC1=CN=C(F)C=C1 33665 [1,0,0,0,0,0|2,0,0]=3 100 B9R1.1 COC1=CN=C(N)C=C1 23280 [1,0,0,0,0,0|2,0,0]=3 101 B9R1.1 COC1=CN=C(N)C=N1 17505 [1,0,0,0,0,0|3,0,0]=4 102 B9R1.1 COC1=CN=C(N)N=C1 20801 [1,0,0,0,0,0|3,0,0]=4 103 B9R1.1 COC1=NC=C(Br)C=C1 2408 [1,0,0,0,0,0|2,0,0]=3 104 B9R1.1 COC1=NC=C(Br)C=N1 5264 [1,0,0,0,0,0|3,0,0]=4 105 B9R1.1 COC1=NC=C(C)C=C1 6609 [1,0,0,0,0,0|2,0,0]=3 106 B9R1.1 COC1=NC=C(Cl)C=C1 6602 [1,0,0,0,0,0|2,0,0]=3 107 B9R1.1 COC1=NC=C(F)C=C1 11248 [1,0,0,0,0,0|2,0,0]=3 108 B9R1.1 COC1=NC=C(I)C=C1 6606 [1,0,0,0,0,0|2,0,0]=3 109 B9R1.1 COC1=NC=C(N)C=C1 1270 [1,0,0,0,0,0|2,0,0]=3 110 B9R1.1 COC1=NC=C(O)C=C1 16171 [1,0,0,0,0,0|1,0,0]=2 111 B9R1.1 CSC1=CC=C(Br)C=C1 10650 [1,0,0,0,0,0|1,1,0]=3 112 B9R1.1 CSC1=CC=C(C)C=C1 10672 [1,0,0,0,0,0|1,1,0]=3 113 B9R1.1 CSC1=CC=C(Cl)C=C1 10645 [1,0,0,0,0,0|1,1,0]=3 114 B9R1.1 CSC1=CC=C(F)C=C1 10641 [1,0,0,0,0,0|1,1,0]=3 115 B9R1.1 CSC1=CC=C(I)C=C1 10670 [1,0,0,0,0,0|1,1,0]=3 116 B9R1.1 CSC1=CC=C(N)C=C1 10636 [1,0,0,0,0,0|1,1,0]=3 117 B9R1.1 CSC1=CC=C(O)C=C1 15277 [1,0,0,0,0,0|0,1,0]=2 118 B9R1.1 CSC1=CC=C(S)C=C1 6825 [1,0,0,0,0,0|0,2,0]=3 119 B9R1.1 ClC1=CC=C(CBr)C=C1 36109 [1,0,0,0,0,0|2,0,0]=3 120 B9R1.1 ClC1=CC=C([Mg]Br)C=C1 24069 [1,0,0,0,0,0|3,0,0]=4 121 B9R1.1 ClCC1=CC=C(Br)C=C1 2478 [1,0,0,0,0,0|2,0,0]=3 122 B9R1.1 ClCC1=CC=C(Cl)C=C1 5797 [1,0,0,0,0,0|2,0,0]=3 123 B9R1.1 ClCC1=CN=C(Cl)C=C1 9210 [1,0,0,0,0,0|3,0,0]=4 124 B9R1.1 ClCC1=NC=C(Cl)C=C1 24106 [1,0,0,0,0,0|3,0,0]=4 125 B9R1.1 FC1=CC=C(CBr)C=C1 7354 [1,0,0,0,0,0|2,0,0]=3 126 B9R1.1 FC1=CC=C(CCl)C=C1 8864 [1,0,0,0,0,0|2,0,0]=3 127 B9R1.1 FC1=CC=C(CS)C=C1 6855 [1,0,0,0,0,0|2,0,0]=3 128 B9R1.1 N#CC1=CC=C(Br)C=C1 3745 [1,0,0,0,0,0|2,0,1]=4 129 B9R1.1 N#CC1=CC=C(Cl)C=C1 20405 [1,0,0,0,0,0|2,0,1]=4 130 B9R1.1 N#CC1=CC=C(F)C=C1 1585 [1,0,0,0,0,0|2,0,1]=4 131 B9R1.1 N#CC1=CC=C(I)C=C1 3936 [1,0,0,0,0,0|2,0,1]=4 132 B9R1.1 N#CC1=CC=C(N)C=C1 15683 [1,0,0,0,0,0|2,0,1]=4 133 B9R1.1 N#CC1=CN=C(O)C=C1 18529 [1,0,0,0,0,0|2,0,1]=4 134 B9R1.1 N#CC1=NC=C(O)C=C1 17605 [1,0,0,0,0,0|2,0,1]=4 135 B9R1.1 NC1=CC=C(C=O)C=C1 7795 [1,0,0,0,0,0|2,0,1]=4 136 B9R1.1 NC1=CC=C(CBr)C=C1 26393 [1,0,0,0,0,0|2,0,0]=3 137 B9R1.1 NC1=CC=C(CO)C=C1 7480 [1,0,0,0,0,0|2,0,0]=3 138 B9R1.1 NC1=CC=C(CO)C=N1 18913 [1,0,0,0,0,0|3,0,0]=4 139 B9R1.1 NCC1=CC=C(Br)C=C1 23806 [1,0,0,0,0,0|2,0,0]=3 140 B9R1.1 NCC1=CC=C(Br)C=C1 3751 [1,0,0,0,0,0|2,0,0]=3 141 B9R1.1 NCC1=CC=C(Cl)C=C1 9028 [1,0,0,0,0,0|2,0,0]=3 142 B9R1.1 NCC1=CC=C(Cl)N=C1 24215 [1,0,0,0,0,0|3,0,0]=4 143 B9R1.1 NCC1=CC=C(F)C=C1 3408 [1,0,0,0,0,0|2,0,0]=3 144 B9R1.1 NCC1=CC=C(F)C=C1 4420 [1,0,0,0,0,0|2,0,0]=3 145 B9R1.1 NCC1=CC=C(I)C=C1 3304 [1,0,0,0,0,0|2,0,0]=3 146 B9R1.1 NCC1=CC=C(N)C=C1 5803 [1,0,0,0,0,0|2,0,0]=3 147 B9R1.1 NCC1=CC=C(O)C=C1 26036 [1,0,0,0,0,0|1,0,0]=2 148 B9R1.1 NCC1=CN=C(Cl)C=C1 1255 [1,0,0,0,0,0|3,0,0]=4 149 B9R1.1 NCC1=CN=C(Cl)C=C1 15212 [1,0,0,0,0,0|3,0,0]=4 150 B9R1.1 NCC1=CNC(=O)C=C1 19427 [1,0,0,0,0,0|2,0,1]=4 151 B9R1.1 NCC1=NC=C(Br)C=C1 29009 [1,0,0,0,0,0|3,0,0]=4 152 B9R1.1 NNC1=CC=C(Br)C=C1 21916 [1,0,0,0,0,0|3,0,0]=4 153 B9R1.1 NNC1=CC=C(Br)C=C1 6409 [1,0,0,0,0,0|3,0,0]=4 154 B9R1.1 NNC1=CC=C(Cl)C=C1 23899 [1,0,0,0,0,0|3,0,0]=4 155 B9R1.1 NNC1=CC=C(Cl)C=C1 4483 [1,0,0,0,0,0|3,0,0]=4 156 B9R1.1 NNC1=CC=C(F)C=C1 15913 [1,0,0,0,0,0|3,0,0]=4 157 B9R1.1 NNC1=CC=C(F)C=C1 3330 [1,0,0,0,0,0|3,0,0]=4 158 B9R1.1 NNC1=CC=C(I)C=C1 15797 [1,0,0,0,0,0|3,0,0]=4 159 B9R1.1 O=CC1=CC=C(Br)C=C1 8053 [1,0,0,0,0,0|2,0,1]=4 160 B9R1.1 O=CC1=CC=C(Cl)C=C1 8078 [1,0,0,0,0,0|2,0,1]=4 161 B9R1.1 O=CC1=CC=C(F)C=C1 3478 [1,0,0,0,0,0|2,0,1]=4 162 B9R1.1 O=CC1=CC=C(I)C=C1 5349 [1,0,0,0,0,0|2,0,1]=4 163 B9R1.1 O=CC1=CC=C(O)C=C1 10188 [1,0,0,0,0,0|1,0,1]=3 164 B9R1.1 O=CC1=CN=C(O)C=C1 17127 [1,0,0,0,0,0|2,0,1]=4 165 B9R1.1 O=CC1=NC=C(O)C=C1 33708 [1,0,0,0,0,0|2,0,1]=4 166 B9R1.1 OCC1=CC=C(Br)C=C1 3748 [1,0,0,0,0,0|2,0,0]=3 167 B9R1.1 OCC1=CC=C(Cl)C=C1 3627 [1,0,0,0,0,0|2,0,0]=3 168 B9R1.1 OCC1=CC=C(F)C=C1 3487 [1,0,0,0,0,0|2,0,0]=3 169 B9R1.1 OCC1=CC=C(F)N=C1 17062 [1,0,0,0,0,0|3,0,0]=4 170 B9R1.1 OCC1=CC=C(I)C=C1 4081 [1,0,0,0,0,0|2,0,0]=3 171 B9R1.1 OCC1=CC=C(O)C=C1 29320 [1,0,0,0,0,0|1,0,0]=2 172 B9R1.1 OCC1=CC=C(S)C=C1 6879 [1,0,0,0,0,0|1,1,0]=3 173 B9R1.1 OCC1=CN=C(Cl)C=C1 12920 [1,0,0,0,0,0|3,0,0]=4 174 B9R1.1 OCC1=NC=C(Br)C=C1 12387 [1,0,0,0,0,0|3,0,0]=4 175 B9R1.1 OCC1=NC=C(Br)C=C1 14780 [1,0,0,0,0,0|3,0,0]=4 176 B9R1.1 OCC1=NC=C(Br)C=C1 7710 [1,0,0,0,0,0|3,0,0]=4 177 B9R1.1 SCC1=CC=C(Br)C=C1 6868 [1,0,0,0,0,0|2,0,0]=3 178 B9R1.1 SCC1=CC=C(Cl)C=C1 6838 [1,0,0,0,0,0|2,0,0]=3 179 B9R1.8 BrCCC1=CC=CN=C1 21399 [1,0,0,0,0,0|3,0,0]=4 180 B9R1.8 BrCCC1=NC=CC=C1 23421 [1,0,0,0,0,0|3,0,0]=4 181 B9R1.8 Br[Mg]CC1=CC=CC=C1 20182 [1,0,0,0,0,0|3,0,0]=4 182 B9R1.8 C=CCC1=CC=CC=C1 29358 [1,0,0,0,0,0|1,0,2]=4 183 B9R1.8 C=CSC1=CC=CC=C1 10778 [1,0,0,0,0,0|0,1,2]=4 184 B9R1.8 CCCC1=CC=CC=C1 10852 [1,0,0,0,0,0|1,0,0]=2 185 B9R1.8 CCCC1=CC=NC=C1 15021 [1,0,0,0,0,0|2,0,0]=3 186 B9R1.8 CCOC1=CC=NC=C1 1125 [1,0,0,0,0,0|1,0,0]=2 187 B9R1.8 CCOC1=NC=CC=C1 1126 [1,0,0,0,0,0|1,0,0]=2 188 B9R1.8 CCSC1=CC=CC=C1 10773 [1,0,0,0,0,0|0,1,0]=2 189 B9R1.8 CNCC1=CC=CC=C1 19910 [1,0,0,0,0,0|2,0,0]=3 190 B9R1.8 CNCC1=CC=CC=C1 25218 [1,0,0,0,0,0|2,0,0]=3 191 B9R1.8 CNCC1=CC=CC=C1 5801 [1,0,0,0,0,0|2,0,0]=3 192 B9R1.8 COCC1=CC=CC=C1 15300 [1,0,0,0,0,0|2,0,0]=3 193 B9R1.8 ClCCC1=CC=CC=C1 26674 [1,0,0,0,0,0|2,0,0]=3 194 B9R1.8 ClCCC1=CC=CN=C1 23929 [1,0,0,0,0,0|3,0,0]=4 195 B9R1.8 ClCSC1=CC=CC=C1 10735 [1,0,0,0,0,0|1,1,0]=3 196 B9R1.8 NCCC1=CC=CN=C1 13196 [1,0,0,0,0,0|3,0,0]=4 197 B9R1.8 NCCC1=CC=CN=C1 14084 [1,0,0,0,0,0|3,0,0]=4 198 B9R1.8 NCCC1=CC=NC=C1 13447 [1,0,0,0,0,0|3,0,0]=4 199 B9R1.8 NCCC1=NC=CC=C1 2592 [1,0,0,0,0,0|3,0,0]=4 200 B9R1.8 NCCc1ccccc1 21077 [1,0,0,0,0,0|2,0,0]=3 201 B9R1.8 NNCC1=CC=CC=C1 29056 [1,0,0,0,0,0|3,0,0]=4 202 B9R1.8 NOCC1=CC=CC=C1 24804 [1,0,0,0,0,0|3,0,0]=4 203 B9R1.8 NOCC1=CC=CC=C1 7095 [1,0,0,0,0,0|3,0,0]=4 204 B9R1.8 OCCC1=NC=CC=C1 2593 [1,0,0,0,0,0|3,0,0]=4 205 B9R1.8 ONCC1=CC=CC=C1 25520 [1,0,0,0,0,0|3,0,0]=4 206 B9R1.8 S=C=NC1=CC=CC=C1 18702 [1,0,0,0,0,0|2,0,1]=4 207 B9R1.8 SCCC1=CC=CN=C1 25052 [1,0,0,0,0,0|3,0,0]=4 208 B9R1.8 SCCC1=NC=CC=C1 25015 [1,0,0,0,0,0|3,0,0]=4 209 B11R1.1 C#CCOC1=CC=C(N)C=C1 22969 [0,1,0,0,0,0|1,0,1]=3 210 B11R1.1 CCCCC1=CC=C(Br)C=C1 15109 [0,1,0,0,0,0|2,0,0]=3 211 B11R1.1 CCCCC1=CC=C(I)C=C1 3969 [0,1,0,0,0,0|2,0,0]=3 212 B11R1.1 CCCCC1=CC=C(N)C=C1 23885 [0,1,0,0,0,0|2,0,0]=3 213 B11R1.1 CCCCC1=CC=C(N)C=N1 26081 [0,1,0,0,0,0|3,0,0]=4 214 B11R1.1 CCCOC1=CC=C(O)C=C1 13204 [0,1,0,0,0,0|0,0,0]=1 215 B11R1.1 CCCOC1=NC=C(Br)C=C1 22059 [0,1,0,0,0,0|2,0,0]=3 216 B11R1.1 CNCCC1=CC=C(O)C=C1 15214 [0,1,0,0,0,0|1,0,0]=2 217 B11R1.1 COCCc1ccc(O)cc1 27303 [0,1,0,0,0,0|1,0,0]=2 218 B11R1.1 COCOC1=CC=C(C)C=C1 15106 [0,1,0,0,0,0|1,0,0]=2 219 B11R1.1 COCOC1=NC=C(Br)C=C1 20344 [0,1,0,0,0,0|2,0,0]=3 220 B11R1.1 ClC1=CC=C(CCCBr)C=C1 25685 [0,1,0,0,0,0|2,0,0]=3 221 B11R1.1 ClC1=CC=C(OCCBr)C=C1 17076 [0,1,0,0,0,0|1,0,0]=2 222 B11R1.1 ClCCCC1=CC=C(Cl)C=C1 23877 [0,1,0,0,0,0|2,0,0]=3 223 B11R1.1 FC1=CC=C(OCCBr)C=C1 15003 [0,1,0,0,0,0|1,0,0]=2 224 B11R1.1 N#CCCC1=CC=C(Br)C=C1 20432 [0,1,0,0,0,0|2,0,1]=4 225 B11R1.1 N#CCCC1=CC=C(O)C=C1 13636 [0,1,0,0,0,0|1,0,1]=3 226 B11R1.1 N#CCOC1=CC=C(Cl)C=C1 15005 [0,1,0,0,0,0|1,0,1]=3 227 B11R1.1 NC1=CC=C(NCCO)C=C1 20871 [0,1,0,0,0,0|2,0,0]=3 228 B11R1.1 NCCCC1=CC=C(O)C=C1 35658 [0,1,0,0,0,0|1,0,0]=2 229 B11R1.1 NCCOC1=CC=C(F)C=C1 13107 [0,1,0,0,0,0|1,0,0]=2 230 B11R1.1 O=CCCC1=CC=C(F)C=C1 31590 [0,1,0,0,0,0|2,0,1]=4 231 B11R1.1 O=CCCC1=CC=C(O)C=C1 13990 [0,1,0,0,0,0|1,0,1]=3 232 B11R1.1 OCCCC1=CC=C(Br)C=C1 3984 [0,1,0,0,0,0|2,0,0]=3 233 B11R1.1 OCCCC1=CC=C(Cl)C=C1 9806 [0,1,0,0,0,0|2,0,0]=3 234 B11R1.1 OCCCC1=CC=C(O)C=C1 25607 [0,1,0,0,0,0|1,0,0]=2 235 B11R1.20 CC(=O)CC1=CC=C(Br)C=C1 31604 [0,1,0,0,0,0|2,0,1]=4 236 B11R1.20 CC(=O)CC1=CC=C(Cl)C=C1 28145 [0,1,0,0,0,0|2,0,1]=4 237 B11R1.20 CC(=O)CC1=CC=C(F)C=C1 28133 [0,1,0,0,0,0|2,0,1]=4 238 B11R1.20 CC(=O)CC1=CC=C(O)C=C1 35682 [0,1,0,0,0,0|1,0,1]=3 239 B11R1.20 CC(=O)NC1=CC=C(C)C=C1 3342 [0,1,0,0,0,0|2,0,1]=4 240 B11R1.20 CC(=O)NC1=CC=C(Cl)C=C1 26262 [0,1,0,0,0,0|2,0,1]=4 241 B11R1.20 CC(=O)NC1=CC=C(I)C=C1 3293 [0,1,0,0,0,0|2,0,1]=4 242 B11R1.20 CC(=O)NC1=CC=C(O)C=C1 17726 [0,1,0,0,0,0|1,0,1]=3 243 B11R1.20 CC(=O)NC1=CC=C(S)C=C1 6832 [0,1,0,0,0,0|1,1,1]=4 244 B11R1.20 CC(=O)OC1=CC=C(F)C=C1 3061 [0,1,0,0,0,0|1,0,1]=3 245 B11R1.20 CC(C)CC1=CC=C(Br)C=C1 27490 [0,1,0,0,0,0|2,0,0]=3 246 B11R1.20 CC(C)NC1=CC=C(Br)C=C1 34794 [0,1,0,0,0,0|2,0,0]=3 247 B11R1.20 CC(C)OC1=CC=C(N)C=C1 28330 [0,1,0,0,0,0|1,0,0]=2 248 B11R1.20 CC(C)OC1=CC=C(O)C=C1 34515 [0,1,0,0,0,0|0,0,0]=1 249 B11R1.20 CC(C)OC1=CN=C(Br)C=C1 34828 [0,1,0,0,0,0|2,0,0]=3 250 B11R1.20 CC(C)OC1=NC=C(Br)C=C1 22060 [0,1,0,0,0,0|2,0,0]=3 251 B11R1.20 CC(C)OC1=NC=C(Br)C=N1 34744 [0,1,0,0,0,0|3,0,0]=4 252 B11R1.20 CC(N)CC1=CC=C(F)C=C1 19961 [0,1,0,0,0,0|2,0,0]=3 253 B11R1.20 FC(F)OC1=CC=C(Br)C=C1 4309 [0,1,0,0,0,0|2,0,0]=3 254 B11R1.20 NC(=O)CC1=CC=C(O)C=C1 17532 [0,1,0,0,0,0|2,0,1]=4 255 B11R1.20 NC1=CC=C(OC(F)F)C=C1 8467 [0,1,0,0,0,0|2,0,0]=3 256 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 22193 [0,1,0,0,0,0|2,0,1]=4 257 B11R1.22 CC1=CC=C(C(=O)CBr)C=C1 7423 [0,1,0,0,0,0|3,0,0]=4 258 B11R1.22 CC1=CC=C(C(=O)CN)C=C1 22351 [0,1,0,0,0,0|3,0,0]=4 259 B11R1.22 CC1=CC=C(C(=O)CN)C=C1 23893 [0,1,0,0,0,0|3,0,0]=4 260 B11R1.22 CC1=CC=C([C@H](O)CN)C=C1 19376 [0,1,0,0,0,0|3,0,0]=4 261 B11R1.22 CCC(=O)C1=CC=C(Br)C=C1 12477 [0,1,0,0,0,0|2,0,0]=3 262 B11R1.22 CCC(=O)C1=CC=C(C)C=C1 20971 [0,1,0,0,0,0|2,0,0]=3 263 B11R1.22 CCC(=O)C1=CC=C(Cl)C=C1 36050 [0,1,0,0,0,0|2,0,0]=3 264 B11R1.22 CCC(=O)C1=CC=C(F)C=C1 12578 [0,1,0,0,0,0|2,0,0]=3 265 B11R1.22 CCC(=O)C1=CC=C(N)C=C1 35537 [0,1,0,0,0,0|2,0,0]=3 266 B11R1.22 CC[C@@H](O)C1=CC=C(Br)C=C1 15566 [0,1,0,0,0,0|2,0,0]=3 267 B11R1.22 CC[C@@H](O)C1=CC=C(Cl)C=C1 15579 [0,1,0,0,0,0|2,0,0]=3 268 B11R1.22 CC[C@@H](O)C1=CC=C(F)C=C1 15586 [0,1,0,0,0,0|2,0,0]=3 269 B11R1.22 COC(=O)C1=CC=C(Br)C=C1 3962 [0,1,0,0,0,0|3,0,0]=4 270 B11R1.22 COC(=O)C1=CC=C(C)C=C1 15479 [0,1,0,0,0,0|3,0,0]=4 271 B11R1.22 COC(=O)C1=CC=C(Cl)C=C1 3708 [0,1,0,0,0,0|3,0,0]=4 272 B11R1.22 COC(=O)C1=CC=C(F)C=C1 3566 [0,1,0,0,0,0|3,0,0]=4 273 B11R1.22 COC(=O)C1=CC=C(I)C=C1 20378 [0,1,0,0,0,0|3,0,0]=4 274 B11R1.22 COC(=O)C1=CC=C(N)C=C1 28506 [0,1,0,0,0,0|3,0,0]=4 275 B11R1.22 COC(=O)C1=CC=C(O)C=C1 27407 [0,1,0,0,0,0|2,0,0]=3 276 B11R1.22 COC(=O)C1=CC=C(O)C=C1 35335 [0,1,0,0,0,0|2,0,0]=3 277 B11R1.22 NC1=CC=C(C(=O)CBr)C=C1 29245 [0,1,0,0,0,0|3,0,0]=4 278 B11R1.22 NCC(=O)C1=CC=C(Br)C=C1 16820 [0,1,0,0,0,0|3,0,0]=4 279 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 16752 [0,1,0,0,0,0|3,0,0]=4 280 B11R1.22 NCC(=O)C1=CC=C(F)C=C1 22326 [0,1,0,0,0,0|3,0,0]=4 281 B11R1.22 NCC(O)C1=CC=C(Cl)C=C1 19370 [0,1,0,0,0,0|3,0,0]=4 282 B11R1.22 NCC(O)C1=CC=C(O)C=C1 18242 [0,1,0,0,0,0|2,0,0]=3 283 B11R1.22 NNC(=O)C1=CC=C(O)C=C1 3885 [0,1,0,0,0,0|3,0,0]=4 284 B11R1.22 O=C(CBr)C1=CC=C(Br)C=C1 16821 [0,1,0,0,0,0|3,0,0]=4 285 B11R1.22 O=C(CBr)C1=CC=C(Cl)C=C1 3260 [0,1,0,0,0,0|3,0,0]=4 286 B11R1.22 O=C(CBr)C1=CC=C(F)C=C1 13415 [0,1,0,0,0,0|3,0,0]=4 287 B11R1.22 O=C(CBr)C1=CC=C(I)C=C1 22524 [0,1,0,0,0,0|3,0,0]=4 288 B11R1.22 O=C(CBr)C1=CC=C(O)C=C1 3320 [0,1,0,0,0,0|2,0,0]=3 289 B11R1.22 O=C(CCl)C1=CC=C(Br)C=C1 7424 [0,1,0,0,0,0|3,0,0]=4 290 B11R1.22 O=C(CCl)C1=CC=C(Cl)C=C1 3372 [0,1,0,0,0,0|3,0,0]=4 291 B11R1.22 O=C(CCl)C1=CC=C(F)C=C1 3269 [0,1,0,0,0,0|3,0,0]=4 292 B11R1.22 O=C(CCl)C1=CC=C(O)C=C1 29269 [0,1,0,0,0,0|2,0,0]=3 293 B11R1.22 O=CC(=O)C1=CC=C(O)C=C1 12125 [0,1,0,0,0,0|2,0,1]=4 294 B11R1.22 OCC(O)C1=CC=C(Br)C=C1 27665 [0,1,0,0,0,0|3,0,0]=4 295 B11R1.81 CCCC1=C(O)C=C(O)C=C1 25562 [0,1,0,0,0,0|1,0,0]=2 296 B11R1.81 CCOC1=C(C)N=C(N)C=C1 34422 [0,1,0,0,0,0|2,0,0]=3 297 B11R1.81 CCOC1=C(Cl)C=C(Cl)C=C1 9513 [0,1,0,0,0,0|1,0,0]=2 298 B11R1.81 CCOC1=C(Cl)C=C(F)C=C1 3155 [0,1,0,0,0,0|1,0,0]=2 299 B11R1.81 CCOC1=C(F)C=C(Cl)C=C1 3163 [0,1,0,0,0,0|1,0,0]=2 300 B11R1.81 CCOC1=C(N)C=C(N)C=C1 3168 [0,1,0,0,0,0|1,0,0]=2 301 B11R1.81 CCOC1=NC=C(Br)C=C1Br 6231 [0,1,0,0,0,0|2,0,0]=3 302 B11R1.81 CCOC1=NC=C(Br)C=C1I 26897 [0,1,0,0,0,0|2,0,0]=3 303 B11R1.81 CNCC1=C(Cl)C=C(Cl)C=C1 22904 [0,1,0,0,0,0|3,0,0]=4 304 B11R1.81 COCC1=C(N)C=C(Br)C=C1 31052 [0,1,0,0,0,0|3,0,0]=4 305 B11R1.81 OCCC1=C(Cl)C=C(F)C=C1 31586 [0,1,0,0,0,0|3,0,0]=4 306 B11R1.83 C#CC1=CC=C(CCC)C=C1 10973 [0,1,0,0,0,0|2,0,0]=3 307 B11R1.83 CCOC1=CC=C(C=O)C=C1 13134 [0,1,0,0,0,0|0,0,1]=2 308 B11R1.83 CCOC1=CC=C(CC)C=C1 3172 [0,1,0,0,0,0|1,0,0]=2 309 B11R1.83 CCOC1=CC=C(CCl)C=C1 17445 [0,1,0,0,0,0|1,0,0]=2 310 B11R1.83 CCOC1=CC=C(CO)C=C1 27464 [0,1,0,0,0,0|0,0,0]=1 311 B11R1.83 CNCC1=CC=C(OC)C=C1 10499 [0,1,0,0,0,0|2,0,0]=3 312 B11R1.83 COC1=CC=C(CC#N)C=C1 20331 [0,1,0,0,0,0|2,0,1]=4 313 B11R1.83 COC1=CC=C(CC=O)C=C1 25207 [0,1,0,0,0,0|2,0,1]=4 314 B11R1.83 COC1=CC=C(CCN)C=C1 4589 [0,1,0,0,0,0|2,0,0]=3 315 B11R1.83 COC1=CC=C(N=C=O)C=C1 1920 [0,1,0,0,0,0|2,0,1]=4 316 B11R1.83 COC1=CC=C(OC#N)C=C1 20087 [0,1,0,0,0,0|1,0,1]=3 317 B11R1.83 C\C=C\C1=CC=C(OC)C=C1 35689 [0,1,0,0,0,0|1,0,1]=3 318 B11R1.83 N#CC1=CC=C(CCN)C=C1 31896 [0,1,0,0,0,0|3,0,0]=4 319 B11R1.83 N#CC1=CC=C(CCN)C=C1 31898 [0,1,0,0,0,0|3,0,0]=4 320 B11R1.192 CCOC1=CC(C)=C(Br)C=C1 25477 [0,1,0,0,0,0|1,0,0]=2 321 B11R1.192 CCOC1=CC(C)=C(C)C=C1 3238 [0,1,0,0,0,0|1,0,0]=2 322 B11R1.192 CCOC1=CC(Cl)=C(Br)C=C1 25405 [0,1,0,0,0,0|1,0,0]=2 323 B11R1.192 CCOC1=CC(Cl)=C(Cl)C=C1 3242 [0,1,0,0,0,0|1,0,0]=2 324 B11R1.192 CCOC1=CC(Cl)=C(F)C=C1 3159 [0,1,0,0,0,0|1,0,0]=2 325 B11R1.192 CCOC1=CC(F)=C(Cl)C=C1 3164 [0,1,0,0,0,0|1,0,0]=2 326 B11R1.192 CCOC1=CC(F)=C(F)C=C1 2327 [0,1,0,0,0,0|1,0,0]=2 327 B11R1.192 CCOC1=CC(N)=C(N)C=C1 2153 [0,1,0,0,0,0|1,0,0]=2 328 B11R1.192 CCOC1=CC=C(N)C(N)=C1 2484 [0,1,0,0,0,0|1,0,0]=2 329 B11R1.192 CCOC1=CN=C(Br)C(N)=C1 25043 [0,1,0,0,0,0|2,0,0]=3 330 B11R1.192 COCC1=CC(F)=C(Br)C=C1 27438 [0,1,0,0,0,0|3,0,0]=4 331 B11R1.192 COCC1=CC(N)=C(Br)C=C1 31047 [0,1,0,0,0,0|3,0,0]=4 332 B11R1.192 FC1=C(Cl)C=C(CCBr)C=C1 31594 [0,1,0,0,0,0|3,0,0]=4 333 B11R1.192 FC1=C(F)C=C(CCBr)C=C1 31603 [0,1,0,0,0,0|3,0,0]=4 334 B11R1.192 NCCC1=CC(F)=C(F)C=C1 31257 [0,1,0,0,0,0|3,0,0]=4 335 B11R1.192 NCCC1=CC(O)=C(O)C=C1 22727 [0,1,0,0,0,0|2,0,0]=3 336 B11R1.192 OCCC1=CC(F)=C(F)C=C1 31602 [0,1,0,0,0,0|3,0,0]=4 337 B11R1.192 OCCC1=CC=C(O)C(O)=C1 14271 [0,1,0,0,0,0|2,0,0]=3 338 B9R0.48 CCOC(=O)\C=C\C(=O)[O-] 26661 [0,0,1,0,0,0|2,0,1]=4 339 B9R0.48 CCOC(=O)\C=C\C(C)=O 18129 [0,0,1,0,0,0|1,0,2]=4 340 B11R2.34 BrC1=CC=C(C2CC2)N=C1 22082 [0,0,0,1,0,0|3,0,0]=4 341 B11R2.34 BrC1=CC=C([C@@H]2CO2)C=C1 5705 [0,0,0,1,0,0|3,0,0]=4 342 B11R2.34 BrC1=CC=C([C@H]2CO2)C=C1 5704 [0,0,0,1,0,0|3,0,0]=4 343 B11R2.34 BrC1=NC=C(C2CC2)C=C1 27621 [0,0,0,1,0,0|3,0,0]=4 344 B11R2.34 FC1=CC=C([C@@H]2CO2)C=C1 18166 [0,0,0,1,0,0|3,0,0]=4 345 B11R2.34 FC1=CC=C([C@H]2CO2)C=C1 18172 [0,0,0,1,0,0|3,0,0]=4 346 B11R2.34 NC1=CC=C(C2CC2)C=C1 19700 [0,0,0,1,0,0|2,0,0]=3 347 B11R2.34 OC1=CC=C(C2CC2)C=C1 17543 [0,0,0,1,0,0|1,0,0]=2 348 B11R2.36 BrC1=CC2=C(C=C1)CCO2 28031 [0,0,0,1,0,0|3,0,0]=4 349 B11R2.36 BrC1=CC2=C(C=C1)OC=C2 22017 [0,0,0,1,0,0|1,0,2]=4 350 B11R2.36 BrC1=CC2=C(C=C1)OC=N2 17145 [0,0,0,1,0,0|2,0,1]=4 351 B11R2.36 BrC1=CC2=C(C=C1)OCC2 7055 [0,0,0,1,0,0|1,0,0]=2 352 B11R2.36 BrC1=CC2=C(C=C1)OCO2 3738 [0,0,0,1,0,0|2,0,0]=3 353 B11R2.36 BrC1=CC=C2CCCC2=C1 34435 [0,0,0,1,0,0|2,0,0]=3 354 B11R2.36 BrC1=CC=C2CCNC2=C1 22223 [0,0,0,1,0,0|3,0,0]=4 355 B11R2.36 BrC1=CC=C2CCNC2=C1 8320 [0,0,0,1,0,0|3,0,0]=4 356 B11R2.36 BrC1=CC=C2CNCC2=C1 12928 [0,0,0,1,0,0|3,0,0]=4 357 B11R2.36 BrC1=CC=C2CNCC2=C1 18079 [0,0,0,1,0,0|3,0,0]=4 358 B11R2.36 BrC1=CC=C2NCCC2=C1 7319 [0,0,0,1,0,0|2,0,0]=3 359 B11R2.36 BrC1=CN=C2NCCC2=C1 15516 [0,0,0,1,0,0|3,0,0]=4 360 B11R2.36 CC1=CC2=C(C=C1)OC=C2 28016 [0,0,0,1,0,0|1,0,2]=4 361 B11R2.36 CC1=CC2=C(C=C1)OC=N2 8638 [0,0,0,1,0,0|2,0,1]=4 362 B11R2.36 CC1=CC=C2CNCC2=C1 33793 [0,0,0,1,0,0|3,0,0]=4 363 B11R2.36 ClC1=CC2=C(C=C1)OC=C2 28012 [0,0,0,1,0,0|1,0,2]=4 364 B11R2.36 ClC1=CC2=C(C=C1)OC=N2 8712 [0,0,0,1,0,0|2,0,1]=4 365 B11R2.36 ClC1=CC2=C(C=C1)OCO2 3620 [0,0,0,1,0,0|2,0,0]=3 366 B11R2.36 ClC1=CC=C2CNCC2=C1 18083 [0,0,0,1,0,0|3,0,0]=4 367 B11R2.36 ClC1=CC=C2CNCC2=C1 18084 [0,0,0,1,0,0|3,0,0]=4 368 B11R2.36 ClC1=CC=C2NCCC2=C1 2112 [0,0,0,1,0,0|2,0,0]=3 369 B11R2.36 FC1=CC2=C(C=C1)OC=C2 16047 [0,0,0,1,0,0|1,0,2]=4 370 B11R2.36 FC1=CC2=C(C=C1)OC=N2 21888 [0,0,0,1,0,0|2,0,1]=4 371 B11R2.36 FC1=CC2=C(C=C1)OCC2 24189 [0,0,0,1,0,0|1,0,0]=2 372 B11R2.36 FC1=CC=C2CCNC2=C1 34355 [0,0,0,1,0,0|3,0,0]=4 373 B11R2.36 FC1=CC=C2CNCC2=C1 18062 [0,0,0,1,0,0|3,0,0]=4 374 B11R2.36 IC1=CC2=C(C=C1)OCC2 27760 [0,0,0,1,0,0|1,0,0]=2 375 B11R2.36 IC1=CC2=C(C=C1)OCO2 33795 [0,0,0,1,0,0|2,0,0]=3 376 B11R2.36 NC1=CC2=C(C=C1)OC=N2 34838 [0,0,0,1,0,0|2,0,1]=4 377 B11R2.36 NC1=CC2=C(C=C1)OCC2 16462 [0,0,0,1,0,0|1,0,0]=2 378 B11R2.36 NC1=CC2=C(C=C1)OCC2 20541 [0,0,0,1,0,0|1,0,0]=2 379 B11R2.36 NC1=CC2=C(C=C1)OCO2 22150 [0,0,0,1,0,0|2,0,0]=3 380 B11R2.36 NC1=CC=C2CNCC2=C1 18060 [0,0,0,1,0,0|3,0,0]=4 381 B11R2.36 NC1=CC=C2CNCC2=C1 26253 [0,0,0,1,0,0|3,0,0]=4 382 B11R2.36 OC1=CC2=C(C=C1)CCO2 32303 [0,0,0,1,0,0|2,0,0]=3 383 B11R2.36 OC1=CC2=C(C=C1)OC=C2 34267 [0,0,0,1,0,0|0,0,2]=3 384 B11R2.36 OC1=CC2=C(C=C1)OCO2 15359 [0,0,0,1,0,0|1,0,0]=2 385 B11R2.36 OC1=CC2=C(C=CO2)C=C1 28025 [0,0,0,1,0,0|2,0,1]=4 386 B11R2.36 OC1=CC2=C(C=CS2)C=C1 33018 [0,0,0,1,0,0|2,0,1]=4 387 B11R2.36 OC1=CC=C2C=CNC2=C1 7261 [0,0,0,1,0,0|2,0,1]=4 388 B11R2.36 OC1=CC=C2C=NNC2=C1 15662 [0,0,0,1,0,0|3,0,0]=4 389 B11R2.36 OC1=CC=C2CNCC2=C1 17682 [0,0,0,1,0,0|2,0,0]=3 390 B11R2.36 OC1=CC=C2NC=CC2=C1 7263 [0,0,0,1,0,0|1,0,2]=4 391 B11R2.36 OC1=CC=C2NN=CC2=C1 15661 [0,0,0,1,0,0|2,0,1]=4 392 B11R2.36 SC1=CC2=C(C=C1)OCO2 15612 [0,0,0,1,0,0|1,1,0]=3 393 B9R1.7 CCOC1=CC(N)=NO1 18596 [0,0,0,0,1,0|3,0,0]=4 394 B8R1.2 BrCC1=CC=CC=C1 13143 [2,0,0,0,0,0|1,0,0]=3 395 B8R1.2 BrCC1=CC=CN=C1 17664 [2,0,0,0,0,0|2,0,0]=4 396 B8R1.2 C#CC1=CC=CC=C1 15340 [2,0,0,0,0,0|0,0,2]=4 397 B8R1.2 CCC1=NC=NC=C1 23618 [2,0,0,0,0,0|2,0,0]=4 398 B8R1.2 CNC1=CC=CN=C1 14983 [2,0,0,0,0,0|2,0,0]=4 399 B8R1.2 CNC1=CC=NC=C1 12915 [2,0,0,0,0,0|2,0,0]=4 400 B8R1.2 COC1=CC=CC=C1 12830 [2,0,0,0,0,0|0,0,0]=2 401 B8R1.2 COC1=CC=CC=C1 17272 [2,0,0,0,0,0|0,0,0]=2 402 B8R1.2 COC1=CC=CN=C1 15370 [2,0,0,0,0,0|1,0,0]=3 403 B8R1.2 COC1=CC=NC=C1 2585 [2,0,0,0,0,0|1,0,0]=3 404 B8R1.2 COC1=CN=CN=C1 25073 [2,0,0,0,0,0|2,0,0]=4 405 B8R1.2 COC1=NC=CC=C1 13201 [2,0,0,0,0,0|1,0,0]=3 406 B8R1.2 COC1=NC=CN=C1 8605 [2,0,0,0,0,0|2,0,0]=4 407 B8R1.2 COC1=NC=NC=C1 21029 [2,0,0,0,0,0|2,0,0]=4 408 B8R1.2 CSC1=CC=CC=C1 10578 [2,0,0,0,0,0|0,1,0]=3 409 B8R1.2 CSC1=NC=CC=C1 35938 [2,0,0,0,0,0|1,1,0]=4 410 B8R1.2 ClCC1=CC=CN=C1 9217 [2,0,0,0,0,0|2,0,0]=4 411 B8R1.2 ClCC1=CC=NC=C1 15905 [2,0,0,0,0,0|2,0,0]=4 412 B8R1.2 ClCC1=NC=CC=C1 16732 [2,0,0,0,0,0|2,0,0]=4 413 B8R1.2 ClCC1=NC=CC=C1 36036 [2,0,0,0,0,0|2,0,0]=4 414 B8R1.2 N#Cc1ccccc1 25507 [2,0,0,0,0,0|1,0,1]=4 415 B8R1.2 NCC1=CC=CC=C1 25530 [2,0,0,0,0,0|1,0,0]=3 416 B8R1.2 NCC1=CC=CN=C1 11140 [2,0,0,0,0,0|2,0,0]=4 417 B8R1.2 NCC1=CC=NC=C1 12407 [2,0,0,0,0,0|2,0,0]=4 418 B8R1.2 NCC1=NC=CC=C1 11142 [2,0,0,0,0,0|2,0,0]=4 419 B8R1.2 NNC1=CC=CC=C1 22925 [2,0,0,0,0,0|2,0,0]=4 420 B8R1.2 OCC1=CC=CN=C1 11736 [2,0,0,0,0,0|2,0,0]=4 421 B8R1.2 OCC1=CC=NC=C1 11738 [2,0,0,0,0,0|2,0,0]=4 422 B8R1.2 OCC1=NC=CC=C1 9301 [2,0,0,0,0,0|2,0,0]=4 423 B8R1.2 SCC1=CC=CC=C1 6835 [2,0,0,0,0,0|1,0,0]=3 424 B8R1.2 SCC1=CC=CN=C1 25049 [2,0,0,0,0,0|2,0,0]=4 425 B8R1.2 SCC1=CC=NC=C1 25053 [2,0,0,0,0,0|2,0,0]=4 426 B8R1.2 SCC1=NC=CC=C1 25013 [2,0,0,0,0,0|2,0,0]=4 427 B8R1.3 BrC1=CC=C(Br)C=C1 10875 [2,0,0,0,0,0|2,0,0]=4 428 B8R1.3 BrC1=CC=C(I)C=C1 27467 [2,0,0,0,0,0|2,0,0]=4 429 B8R1.3 BrC1=CC=C(I)C=C1 3786 [2,0,0,0,0,0|2,0,0]=4 430 B8R1.3 CC1=CC=C(Br)C=C1 21011 [2,0,0,0,0,0|1,0,0]=3 431 B8R1.3 CC1=CC=C(Cl)C=C1 19750 [2,0,0,0,0,0|1,0,0]=3 432 B8R1.3 CC1=CC=C(F)C=C1 12887 [2,0,0,0,0,0|1,0,0]=3 433 B8R1.3 CC1=CC=C(I)C=C1 4548 [2,0,0,0,0,0|1,0,0]=3 434 B8R1.3 CC1=CC=C(O)C=C1 23326 [2,0,0,0,0,0|0,0,0]=2 435 B8R1.3 CC1=CC=C(S)C=C1 6809 [2,0,0,0,0,0|0,1,0]=3 436 B8R1.3 CC1=CN=C(Br)C=C1 1185 [2,0,0,0,0,0|2,0,0]=4 437 B8R1.3 CC1=CN=C(C)C=C1 20994 [2,0,0,0,0,0|2,0,0]=4 438 B8R1.3 CC1=CN=C(Cl)C=C1 1193 [2,0,0,0,0,0|2,0,0]=4 439 B8R1.3 CC1=CN=C(F)C=C1 4059 [2,0,0,0,0,0|2,0,0]=4 440 B8R1.3 CC1=CN=C(N)C=C1 1159 [2,0,0,0,0,0|2,0,0]=4 441 B8R1.3 CC1=CN=C(O)C=C1 14321 [2,0,0,0,0,0|1,0,0]=3 442 B8R1.3 CC1=CN=C(O)C=C1 27251 [2,0,0,0,0,0|1,0,0]=3 443 B8R1.3 CC1=NC=C(Br)C=C1 4058 [2,0,0,0,0,0|2,0,0]=4 444 B8R1.3 CC1=NC=C(Cl)C=C1 6694 [2,0,0,0,0,0|2,0,0]=4 445 B8R1.3 CC1=NC=C(F)C=C1 2224 [2,0,0,0,0,0|2,0,0]=4 446 B8R1.3 CC1=NC=C(I)C=C1 6698 [2,0,0,0,0,0|2,0,0]=4 447 B8R1.3 CC1=NC=C(N)C=C1 1280 [2,0,0,0,0,0|2,0,0]=4 448 B8R1.3 CC1=NC=C(O)C=C1 6696 [2,0,0,0,0,0|1,0,0]=3 449 B8R1.3 CC1=NC=C(O)C=N1 21855 [2,0,0,0,0,0|2,0,0]=4 450 B8R1.3 ClC1=CC=C(Br)C=C1 10226 [2,0,0,0,0,0|2,0,0]=4 451 B8R1.3 ClC1=CC=C(I)C=C1 3648 [2,0,0,0,0,0|2,0,0]=4 452 B8R1.3 FC1=CC=C(Br)C=C1 2251 [2,0,0,0,0,0|2,0,0]=4 453 B8R1.3 FC1=CC=C(Cl)C=C1 3420 [2,0,0,0,0,0|2,0,0]=4 454 B8R1.3 FC1=CC=C(F)C=C1 2309 [2,0,0,0,0,0|2,0,0]=4 455 B8R1.3 FC1=CC=C(I)C=C1 2103 [2,0,0,0,0,0|2,0,0]=4 456 B8R1.3 FC1=CC=C(S)C=C1 5431 [2,0,0,0,0,0|1,1,0]=4 457 B8R1.3 IC1=CC=C(I)C=C1 3837 [2,0,0,0,0,0|2,0,0]=4 458 B8R1.3 NC1=CC=C(Br)C=C1 3724 [2,0,0,0,0,0|2,0,0]=4 459 B8R1.3 NC1=CC=C(Cl)C=C1 16666 [2,0,0,0,0,0|2,0,0]=4 460 B8R1.3 NC1=CC=C(F)C=C1 10782 [2,0,0,0,0,0|2,0,0]=4 461 B8R1.3 NC1=CC=C(F)C=C1 5246 [2,0,0,0,0,0|2,0,0]=4 462 B8R1.3 NC1=CC=C(I)C=C1 10572 [2,0,0,0,0,0|2,0,0]=4 463 B8R1.3 NC1=CC=C(N)C=C1 22180 [2,0,0,0,0,0|2,0,0]=4 464 B8R1.3 NC1=CC=C(O)C=C1 22199 [2,0,0,0,0,0|1,0,0]=3 465 B8R1.3 NC1=CC=C(S)C=C1 2471 [2,0,0,0,0,0|1,1,0]=4 466 B8R1.3 NC1=CN=C(O)C=C1 14125 [2,0,0,0,0,0|2,0,0]=4 467 B8R1.3 NC1=CN=C(O)C=C1 6563 [2,0,0,0,0,0|2,0,0]=4 468 B8R1.3 NC1=NC=C(O)C=C1 5754 [2,0,0,0,0,0|2,0,0]=4 469 B8R1.3 O=C1C=CC(=O)C=C1 14592 [2,0,0,0,0,0|0,0,2]=4 470 B8R1.3 OC1=CC=C(Br)C=C1 19708 [2,0,0,0,0,0|1,0,0]=3 471 B8R1.3 OC1=CC=C(Br)N=C1 24844 [2,0,0,0,0,0|2,0,0]=4 472 B8R1.3 OC1=CC=C(Cl)C=C1 22009 [2,0,0,0,0,0|1,0,0]=3 473 B8R1.3 OC1=CC=C(F)C=C1 2314 [2,0,0,0,0,0|1,0,0]=3 474 B8R1.3 OC1=CC=C(I)C=C1 3199 [2,0,0,0,0,0|1,0,0]=3 475 B8R1.3 OC1=CC=C(O)C=C1 9139 [2,0,0,0,0,0|0,0,0]=2 476 B8R1.3 OC1=CC=C(O)N=N1 15702 [2,0,0,0,0,0|2,0,0]=4 477 B8R1.3 OC1=CC=C(S)C=C1 2464 [2,0,0,0,0,0|0,1,0]=3 478 B8R1.3 OC1=CN=C(Br)C=C1 5967 [2,0,0,0,0,0|2,0,0]=4 479 B8R1.3 OC1=CN=C(Cl)C=C1 2410 [2,0,0,0,0,0|2,0,0]=4 480 B8R1.3 OC1=CN=C(F)C=C1 6321 [2,0,0,0,0,0|2,0,0]=4 481 B8R1.3 OC1=CN=C(O)C=C1 5522 [2,0,0,0,0,0|1,0,0]=3 482 B8R1.3 OC1=NC=C(Br)C=C1 1178 [2,0,0,0,0,0|2,0,0]=4 483 B8R1.3 OC1=NC=C(Cl)C=C1 1187 [2,0,0,0,0,0|2,0,0]=4 484 B8R1.3 OC1=NC=C(F)C=C1 6566 [2,0,0,0,0,0|2,0,0]=4 485 B8R1.3 OC1=NC=C(I)C=C1 6567 [2,0,0,0,0,0|2,0,0]=4 486 B8R1.3 SC1=CC=C(Br)C=C1 4043 [2,0,0,0,0,0|1,1,0]=4 487 B8R1.3 SC1=CC=C(Cl)C=C1 6790 [2,0,0,0,0,0|1,1,0]=4 488 B8R1.3 SC1=CC=C(S)C=C1 6866 [2,0,0,0,0,0|0,2,0]=4 489 B10R1.3 BrCC1=CC=C(CBr)C=C1 10202 [1,1,0,0,0,0|2,0,0]=4 490 B10R1.3 C#CC1=CC=C(CC)C=C1 10925 [1,1,0,0,0,0|1,0,0]=3 491 B10R1.3 C=CC1=CC=C(CCl)C=C1 25812 [1,1,0,0,0,0|2,0,0]=4 492 B10R1.3 C=CC1=NC=C(CC)C=C1 19454 [1,1,0,0,0,0|2,0,0]=4 493 B10R1.3 CCC1=CC=C(C=O)C=C1 3072 [1,1,0,0,0,0|0,0,1]=3 494 B10R1.3 CCC1=CC=C(CCl)C=C1 4921 [1,1,0,0,0,0|1,0,0]=3 495 B10R1.3 CCC1=CC=C(OC)C=C1 25322 [1,1,0,0,0,0|0,0,0]=2 496 B10R1.3 CCc1ccc(CCl)cc1 36258 [1,1,0,0,0,0|1,0,0]=3 497 B10R1.3 CNC1=CC=C(C#N)C=C1 4815 [1,1,0,0,0,0|2,0,0]=4 498 B10R1.3 CNC1=CC=C(OC)C=C1 25931 [1,1,0,0,0,0|1,0,0]=3 499 B10R1.3 COC1=CC=C(C#N)C=C1 8162 [1,1,0,0,0,0|1,0,0]=3 500 B10R1.3 COC1=CC=C(C=O)C=C1 22535 [1,1,0,0,0,0|0,0,1]=3 501 B10R1.3 COC1=CC=C(C=O)C=N1 5152 [1,1,0,0,0,0|1,0,1]=4 502 B10R1.3 COC1=CC=C(CBr)C=C1 15882 [1,1,0,0,0,0|1,0,0]=3 503 B10R1.3 COC1=CC=C(CCl)C=C1 18654 [1,1,0,0,0,0|1,0,0]=3 504 B10R1.3 COC1=CC=C(CN)C=C1 4428 [1,1,0,0,0,0|1,0,0]=3 505 B10R1.3 COC1=CC=C(CN)C=N1 33703 [1,1,0,0,0,0|2,0,0]=4 506 B10R1.3 COC1=CC=C(CO)C=C1 19100 [1,1,0,0,0,0|0,0,0]=2 507 B10R1.3 COC1=CC=C(CS)C=C1 6839 [1,1,0,0,0,0|0,1,0]=3 508 B10R1.3 COC1=CC=C(NN)C=C1 4498 [1,1,0,0,0,0|1,0,0]=3 509 B10R1.3 COC1=CC=C(SC)C=C1 10655 [1,1,0,0,0,0|0,1,0]=3 510 B10R1.3 COC1=CN=C(C=O)C=C1 24092 [1,1,0,0,0,0|1,0,1]=4 511 B10R1.3 COC1=CN=C(CO)C=C1 34570 [1,1,0,0,0,0|1,0,0]=3 512 B10R1.3 COC1=NC=C(C#N)C=C1 15154 [1,1,0,0,0,0|2,0,0]=4 513 B10R1.3 CSC1=CC=C(C#N)C=C1 10528 [1,1,0,0,0,0|1,1,0]=4 514 B10R1.3 CSC1=CC=C(C=O)C=C1 10796 [1,1,0,0,0,0|0,1,1]=4 515 B10R1.3 CSC1=CC=C(CCl)C=C1 10530 [1,1,0,0,0,0|1,1,0]=4 516 B10R1.3 CSC1=CC=C(CN)C=C1 27539 [1,1,0,0,0,0|1,1,0]=4 517 B10R1.3 CSC1=CC=C(CO)C=C1 7470 [1,1,0,0,0,0|0,1,0]=3 518 B10R1.3 ClCC1=CC=C(CCl)C=C1 10211 [1,1,0,0,0,0|2,0,0]=4 519 B10R1.3 N#CC1=CC=C(CBr)C=C1 7495 [1,1,0,0,0,0|2,0,0]=4 520 B10R1.3 N#CC1=CC=C(CCl)C=C1 7377 [1,1,0,0,0,0|2,0,0]=4 521 B10R1.3 N#CC1=CC=C(CN)C=C1 2057 [1,1,0,0,0,0|2,0,0]=4 522 B10R1.3 N#CC1=CC=C(CN)C=C1 9986 [1,1,0,0,0,0|2,0,0]=4 523 B10R1.3 N#Cc1ccc(CO)cc1 31292 [1,1,0,0,0,0|1,0,1]=4 524 B10R1.3 O=CC1=CC=C(CBr)C=C1 19839 [1,1,0,0,0,0|1,0,1]=4 525 B10R1.3 O=CC1=CC=C(CCl)C=C1 30942 [1,1,0,0,0,0|1,0,1]=4 526 B10R1.3 OCC1=CC=C(CBr)C=C1 27440 [1,1,0,0,0,0|1,0,0]=3 527 B10R1.3 SCc1ccc(CS)cc1 6840 [1,1,0,0,0,0|1,1,0]=4 528 B10R1.13 C=C(C)C1=CC=C(O)C=C1 27834 [1,1,0,0,0,0|0,0,1]=3 529 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 3294 [1,1,0,0,0,0|1,0,1]=4 530 B10R1.13 CC(=O)C1=CC=C(C)C=C1 3326 [1,1,0,0,0,0|1,0,1]=4 531 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 3297 [1,1,0,0,0,0|1,0,1]=4 532 B10R1.13 CC(=O)C1=CC=C(F)C=C1 10587 [1,1,0,0,0,0|1,0,1]=4 533 B10R1.13 CC(=O)C1=CC=C(I)C=C1 3323 [1,1,0,0,0,0|1,0,1]=4 534 B10R1.13 CC(=O)C1=CC=C(N)C=C1 3288 [1,1,0,0,0,0|1,0,1]=4 535 B10R1.13 CC(=O)C1=CC=C(O)C=C1 3311 [1,1,0,0,0,0|0,0,1]=3 536 B10R1.13 CC(=O)C1=CN=C(O)C=C1 29236 [1,1,0,0,0,0|1,0,1]=4 537 B10R1.13 CC(C)C1=CC=C(Br)C=C1 18676 [1,1,0,0,0,0|1,0,0]=3 538 B10R1.13 CC(C)C1=CC=C(I)C=C1 3975 [1,1,0,0,0,0|1,0,0]=3 539 B10R1.13 CC(C)C1=CC=C(N)C=N1 19458 [1,1,0,0,0,0|2,0,0]=4 540 B10R1.13 CC(C)C1=CC=C(S)C=C1 6814 [1,1,0,0,0,0|0,1,0]=3 541 B10R1.13 CC(N)C1=CC=C(Cl)C=C1 27544 [1,1,0,0,0,0|1,0,0]=3 542 B10R1.13 CC(N)C1=CC=C(F)C=C1 3425 [1,1,0,0,0,0|1,0,0]=3 543 B10R1.13 CC(O)C1=CC=C(Br)C=C1 12552 [1,1,0,0,0,0|1,0,0]=3 544 B10R1.13 CC1=CC=C(N(C)C)C=C1 21347 [1,1,0,0,0,0|2,0,0]=4 545 B10R1.13 CC1=CC=C([C@H](C)O)C=C1 15589 [1,1,0,0,0,0|1,0,0]=3 546 B10R1.13 CN(C)C1=CC=C(Br)C=C1 2230 [1,1,0,0,0,0|2,0,0]=4 547 B10R1.13 CN(C)C1=CC=C(Cl)C=C1 5271 [1,1,0,0,0,0|2,0,0]=4 548 B10R1.13 CN(C)C1=CC=C(F)C=C1 3365 [1,1,0,0,0,0|2,0,0]=4 549 B10R1.13 CN(C)C1=CC=C(O)C=C1 27800 [1,1,0,0,0,0|1,0,0]=3 550 B10R1.13 CN(C)c1ccc(N)cc1 21651 [1,1,0,0,0,0|2,0,0]=4 551 B10R1.13 C[C@@H](N)C1=CC=C(Cl)C=C1 15222 [1,1,0,0,0,0|1,0,0]=3 552 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 15219 [1,1,0,0,0,0|1,0,0]=3 553 B10R1.13 C[C@@H](N)C1=CC=C(O)C=C1 2454 [1,1,0,0,0,0|0,0,0]=2 554 B10R1.13 C[C@@H](N)c1ccc(Br)cc1 14234 [1,1,0,0,0,0|1,0,0]=3 555 B10R1.13 C[C@@H](O)C1=CC=C(Br)C=C1 14252 [1,1,0,0,0,0|1,0,0]=3 556 B10R1.13 C[C@@H](O)C1=CC=C(Cl)C=C1 14249 [1,1,0,0,0,0|1,0,0]=3 557 B10R1.13 C[C@@H](O)C1=CC=C(F)C=C1 14245 [1,1,0,0,0,0|1,0,0]=3 558 B10R1.13 C[C@H](N)C1=CC=C(Cl)C=C1 15221 [1,1,0,0,0,0|1,0,0]=3 559 B10R1.13 C[C@H](N)C1=CC=C(F)C=C1 15218 [1,1,0,0,0,0|1,0,0]=3 560 B10R1.13 C[C@H](N)c1ccc(Br)cc1 5736 [1,1,0,0,0,0|1,0,0]=3 561 B10R1.13 C[C@H](O)C1=CC=C(Br)C=C1 14253 [1,1,0,0,0,0|1,0,0]=3 562 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 14251 [1,1,0,0,0,0|1,0,0]=3 563 B10R1.13 C[C@H](O)C1=CC=C(F)C=C1 14247 [1,1,0,0,0,0|1,0,0]=3 564 B10R1.13 Cc1ccc(C(Cl)Cl)cc1 10212 [1,1,0,0,0,0|2,0,0]=4 565 B10R1.13 Cc1ccc([C@@H](C)N)cc1 8021 [1,1,0,0,0,0|1,0,0]=3 566 B10R1.13 FC(F)C1=CC=C(Br)C=C1 23296 [1,1,0,0,0,0|2,0,0]=4 567 B10R1.13 N=C(N)C1=CC=C(O)C=C1 18174 [1,1,0,0,0,0|1,0,1]=4 568 B10R1.13 NC(=S)C1=CC=C(O)C=C1 13555 [1,1,0,0,0,0|1,0,1]=4 569 B10R1.13 NC1=CC=C(C(F)F)C=C1 23828 [1,1,0,0,0,0|2,0,0]=4 570 B10R1.13 O=C(O)C1=CC=C(O)C=C1 16819 [1,1,0,0,0,0|1,0,1]=4 571 B10R1.13 O=[N+]([O-])C1=CC=C(O)C=C1 19727 [1,1,0,0,0,0|2,0,0]=4 572 B10R1.13 OB(O)C1=CC=C(O)C=C1 1729 [1,1,0,0,0,0|2,0,0]=4 573 B10R1.13 OC1=CC=C(C(F)F)C=C1 19704 [1,1,0,0,0,0|1,0,0]=3 574 B10R1.25 CC1=C(C#N)C=CC(O)=C1 27578 [1,1,0,0,0,0|1,0,1]=4 575 B10R1.25 CC1=C(C=O)C=CC(O)=C1 3910 [1,1,0,0,0,0|1,0,1]=4 576 B10R1.25 CC1=C(CN)C=CC(Br)=C1 19930 [1,1,0,0,0,0|2,0,0]=4 577 B10R1.25 CC1=C(CN)C=CC(O)=C1 27617 [1,1,0,0,0,0|1,0,0]=3 578 B10R1.25 CC1=C(CO)C=CC(Br)=C1 27441 [1,1,0,0,0,0|2,0,0]=4 579 B10R1.25 CC1=CC(C)=C(CO)C=C1 35348 [1,1,0,0,0,0|2,0,0]=4 580 B10R1.25 CCC1=C(Br)C=C(N)C=C1 27787 [1,1,0,0,0,0|1,0,0]=3 581 B10R1.25 CCC1=C(Cl)C=C(N)C=C1 27794 [1,1,0,0,0,0|1,0,0]=3 582 B10R1.25 CNC1=C(F)C=C(F)C=C1 10041 [1,1,0,0,0,0|2,0,0]=4 583 B10R1.25 CNC1=CC=C(Br)C=C1N 34299 [1,1,0,0,0,0|2,0,0]=4 584 B10R1.25 COC1=C(Br)C=C(Br)C=C1 3847 [1,1,0,0,0,0|1,0,0]=3 585 B10R1.25 COC1=C(Br)C=C(C)C=C1 3797 [1,1,0,0,0,0|1,0,0]=3 586 B10R1.25 COC1=C(Br)C=C(Cl)C=C1 2629 [1,1,0,0,0,0|1,0,0]=3 587 B10R1.25 COC1=C(Br)C=C(F)C=C1 1972 [1,1,0,0,0,0|1,0,0]=3 588 B10R1.25 COC1=C(Br)C=C(N)C=C1 16856 [1,1,0,0,0,0|1,0,0]=3 589 B10R1.25 COC1=C(Br)C=C(O)C=C1 31091 [1,1,0,0,0,0|0,0,0]=2 590 B10R1.25 COC1=C(Br)C=C(O)C=N1 34282 [1,1,0,0,0,0|1,0,0]=3 591 B10R1.25 COC1=C(C)C=C(Br)C=C1 3798 [1,1,0,0,0,0|1,0,0]=3 592 B10R1.25 COC1=C(C)C=C(C)C=C1 5359 [1,1,0,0,0,0|1,0,0]=3 593 B10R1.25 COC1=C(C)C=C(Cl)C=C1 2665 [1,1,0,0,0,0|1,0,0]=3 594 B10R1.25 COC1=C(C)C=C(F)C=C1 2622 [1,1,0,0,0,0|1,0,0]=3 595 B10R1.25 COC1=C(C)C=C(N)C=C1 15790 [1,1,0,0,0,0|1,0,0]=3 596 B10R1.25 COC1=C(C)C=C(O)C=C1 33186 [1,1,0,0,0,0|0,0,0]=2 597 B10R1.25 COC1=C(Cl)C=C(Br)C=C1 2630 [1,1,0,0,0,0|1,0,0]=3 598 B10R1.25 COC1=C(Cl)C=C(C)C=C1 27687 [1,1,0,0,0,0|1,0,0]=3 599 B10R1.25 COC1=C(Cl)C=C(F)C=C1 2658 [1,1,0,0,0,0|1,0,0]=3 600 B10R1.25 COC1=C(Cl)C=C(N)C=C1 17270 [1,1,0,0,0,0|1,0,0]=3 601 B10R1.25 COC1=C(Cl)C=C(O)C=C1 33443 [1,1,0,0,0,0|0,0,0]=2 602 B10R1.25 COC1=C(Cl)N=C(N)C=C1 22126 [1,1,0,0,0,0|2,0,0]=4 603 B10R1.25 COC1=C(F)C=C(Br)C=C1 1971 [1,1,0,0,0,0|1,0,0]=3 604 B10R1.25 COC1=C(F)C=C(C)C=C1 24850 [1,1,0,0,0,0|1,0,0]=3 605 B10R1.25 COC1=C(F)C=C(Cl)C=C1 2662 [1,1,0,0,0,0|1,0,0]=3 606 B10R1.25 COC1=C(F)C=C(F)C=C1 3455 [1,1,0,0,0,0|1,0,0]=3 607 B10R1.25 COC1=C(F)C=C(N)C=C1 2125 [1,1,0,0,0,0|1,0,0]=3 608 B10R1.25 COC1=C(F)C=C(O)C=C1 2369 [1,1,0,0,0,0|0,0,0]=2 609 B10R1.25 COC1=C(F)C=C(S)C=C1 6875 [1,1,0,0,0,0|0,1,0]=3 610 B10R1.25 COC1=C(I)C=C(Cl)C=C1 14310 [1,1,0,0,0,0|1,0,0]=3 611 B10R1.25 COC1=C(I)C=C(N)C=C1 3307 [1,1,0,0,0,0|1,0,0]=3 612 B10R1.25 COC1=C(I)C=C(N)C=C1 3310 [1,1,0,0,0,0|1,0,0]=3 613 B10R1.25 COC1=C(N)C=C(F)C=C1 2256 [1,1,0,0,0,0|1,0,0]=3 614 B10R1.25 COC1=C(N)C=C(I)C=C1 28345 [1,1,0,0,0,0|1,0,0]=3 615 B10R1.25 COC1=C(N)C=C(N)C=C1 1905 [1,1,0,0,0,0|1,0,0]=3 616 B10R1.25 COC1=C(N)C=C(N)C=C1 24784 [1,1,0,0,0,0|1,0,0]=3 617 B10R1.25 COC1=C(N)C=C(N)C=C1 4107 [1,1,0,0,0,0|1,0,0]=3 618 B10R1.25 COC1=C(O)C=C(Br)C=C1 26431 [1,1,0,0,0,0|1,0,0]=3 619 B10R1.25 COC1=C(O)C=C(C)C=C1 31088 [1,1,0,0,0,0|1,0,0]=3 620 B10R1.25 COC1=C(O)C=C(F)C=C1 3882 [1,1,0,0,0,0|1,0,0]=3 621 B10R1.25 COC1=C(O)C=C(N)C=C1 3112 [1,1,0,0,0,0|1,0,0]=3 622 B10R1.25 COC1=CC=C(N)N=C1C 6638 [1,1,0,0,0,0|2,0,0]=4 623 B10R1.25 COC1=CN=C(O)N=C1O 7099 [1,1,0,0,0,0|2,0,0]=4 624 B10R1.25 COC1=NC=C(Br)C=C1Br 6581 [1,1,0,0,0,0|2,0,0]=4 625 B10R1.25 COC1=NC=C(Br)C=C1C 22058 [1,1,0,0,0,0|2,0,0]=4 626 B10R1.25 COC1=NC=C(Br)C=C1Cl 1164 [1,1,0,0,0,0|2,0,0]=4 627 B10R1.25 COC1=NC=C(Br)C=C1F 10468 [1,1,0,0,0,0|2,0,0]=4 628 B10R1.25 COC1=NC=C(Br)C=C1I 8079 [1,1,0,0,0,0|2,0,0]=4 629 B10R1.25 COC1=NC=C(Br)C=C1N 17164 [1,1,0,0,0,0|2,0,0]=4 630 B10R1.25 COC1=NC=C(C)C=C1I 26966 [1,1,0,0,0,0|2,0,0]=4 631 B10R1.25 COC1=NC=C(Cl)C=C1Br 6584 [1,1,0,0,0,0|2,0,0]=4 632 B10R1.25 COC1=NC=C(Cl)C=C1O 26938 [1,1,0,0,0,0|2,0,0]=4 633 B10R1.25 COC1=NC=C(F)C=C1Br 1175 [1,1,0,0,0,0|2,0,0]=4 634 B10R1.25 COC1=NC=C(F)C=C1C 6603 [1,1,0,0,0,0|2,0,0]=4 635 B10R1.25 COC1=NC=C(F)C=C1O 15267 [1,1,0,0,0,0|2,0,0]=4 636 B10R1.25 COC1=NC=C(N)C=C1Br 1147 [1,1,0,0,0,0|2,0,0]=4 637 B10R1.25 COC1=NC=C(N)C=C1C 1268 [1,1,0,0,0,0|2,0,0]=4 638 B10R1.25 COc1ccc(Cl)cc1O 31127 [1,1,0,0,0,0|1,0,0]=3 639 B10R1.25 CSC1=C(C)C=C(O)C=C1 10656 [1,1,0,0,0,0|0,1,0]=3 640 B10R1.25 CSC1=C(F)C=C(F)C=C1 10719 [1,1,0,0,0,0|1,1,0]=4 641 B10R1.25 ClC1=C(CBr)C=CC(Br)=C1 31300 [1,1,0,0,0,0|2,0,0]=4 642 B10R1.25 ClC1=CC(Cl)=C(CBr)C=C1 27460 [1,1,0,0,0,0|2,0,0]=4 643 B10R1.25 ClCC1=C(Cl)C=C(Cl)C=C1 16507 [1,1,0,0,0,0|2,0,0]=4 644 B10R1.25 FC1=C(CBr)C=CC(Br)=C1 4887 [1,1,0,0,0,0|2,0,0]=4 645 B10R1.25 FC1=C(CBr)C=CC(Cl)=C1 4897 [1,1,0,0,0,0|2,0,0]=4 646 B10R1.25 FC1=CC(Br)=C(CBr)C=C1 4883 [1,1,0,0,0,0|2,0,0]=4 647 B10R1.25 FC1=CC(Cl)=C(CBr)C=C1 4893 [1,1,0,0,0,0|2,0,0]=4 648 B10R1.25 FC1=CC(Cl)=C(CCl)C=C1 36215 [1,1,0,0,0,0|2,0,0]=4 649 B10R1.25 FC1=CC(F)=C(CBr)C=C1 4911 [1,1,0,0,0,0|2,0,0]=4 650 B10R1.25 FC1=CC(F)=C(CCl)C=C1 4912 [1,1,0,0,0,0|2,0,0]=4 651 B10R1.25 N#CC1=C(Cl)C=C(O)C=C1 4727 [1,1,0,0,0,0|1,0,1]=4 652 B10R1.25 N#CC1=C(F)C=C(O)C=C1 2866 [1,1,0,0,0,0|1,0,1]=4 653 B10R1.25 N#CC1=C(F)C=C(O)C=C1 3495 [1,1,0,0,0,0|1,0,1]=4 654 B10R1.25 N#CC1=C(O)C=C(O)C=C1 13114 [1,1,0,0,0,0|1,0,1]=4 655 B10R1.25 NC1=C(CO)C=CC(Br)=C1 31328 [1,1,0,0,0,0|2,0,0]=4 656 B10R1.25 NCC1=C(Cl)C=C(F)C=C1 25411 [1,1,0,0,0,0|2,0,0]=4 657 B10R1.25 NCC1=C(F)C=C(Br)C=C1 12660 [1,1,0,0,0,0|2,0,0]=4 658 B10R1.25 NCC1=C(F)C=C(Br)C=C1 4709 [1,1,0,0,0,0|2,0,0]=4 659 B10R1.25 NCC1=C(F)C=C(Cl)C=C1 27456 [1,1,0,0,0,0|2,0,0]=4 660 B10R1.25 NCC1=C(F)C=C(Cl)C=C1 3428 [1,1,0,0,0,0|2,0,0]=4 661 B10R1.25 NCC1=C(F)C=C(F)C=C1 4399 [1,1,0,0,0,0|2,0,0]=4 662 B10R1.25 O=CC1=C(Br)C=C(O)C=C1 28099 [1,1,0,0,0,0|1,0,1]=4 663 B10R1.25 O=CC1=C(Cl)C=C(O)C=C1 7366 [1,1,0,0,0,0|1,0,1]=4 664 B10R1.25 O=CC1=C(F)C=C(O)C=C1 1442 [1,1,0,0,0,0|1,0,1]=4 665 B10R1.25 O=CC1=C(I)C=C(O)C=C1 28098 [1,1,0,0,0,0|1,0,1]=4 666 B10R1.25 O=CC1=C(O)C=C(O)C=C1 8218 [1,1,0,0,0,0|1,0,1]=4 667 B10R1.25 OCC1=C(Br)C=C(Br)C=C1 9781 [1,1,0,0,0,0|2,0,0]=4 668 B10R1.25 OCC1=C(Br)C=C(F)C=C1 3222 [1,1,0,0,0,0|2,0,0]=4 669 B10R1.25 OCC1=C(Br)C=C(I)C=C1 31340 [1,1,0,0,0,0|2,0,0]=4 670 B10R1.25 OCC1=C(Cl)C=C(Cl)C=C1 9993 [1,1,0,0,0,0|2,0,0]=4 671 B10R1.25 OCC1=C(Cl)C=C(F)C=C1 3426 [1,1,0,0,0,0|2,0,0]=4 672 B10R1.25 OCC1=C(Cl)C=C(O)C=C1 31313 [1,1,0,0,0,0|1,0,0]=3 673 B10R1.25 OCC1=C(F)C=C(Br)C=C1 3223 [1,1,0,0,0,0|2,0,0]=4 674 B10R1.25 OCC1=C(F)C=C(Cl)C=C1 26669 [1,1,0,0,0,0|2,0,0]=4 675 B10R1.25 OCC1=C(F)C=C(F)C=C1 4910 [1,1,0,0,0,0|2,0,0]=4 676 B10R1.25 OCC1=C(I)C=C(F)C=C1 31350 [1,1,0,0,0,0|2,0,0]=4 677 B10R1.25 OCC1=C(O)C=C(Br)C=C1 15237 [1,1,0,0,0,0|2,0,0]=4 678 B10R1.176 C=CC1=CC(O)=C(O)C=C1 35519 [1,1,0,0,0,0|0,0,2]=4 679 B10R1.176 CC1=C(Br)C=CC(CBr)=C1 24290 [1,1,0,0,0,0|2,0,0]=4 680 B10R1.176 CC1=C(C)C=C(CCl)C=C1 14890 [1,1,0,0,0,0|2,0,0]=4 681 B10R1.176 CC1=C(C)C=C(CN)C=C1 4412 [1,1,0,0,0,0|2,0,0]=4 682 B10R1.176 CC1=C(C)C=C(CO)C=C1 2161 [1,1,0,0,0,0|2,0,0]=4 683 B10R1.176 CC1=C(Cl)C=C(CN)C=C1 27458 [1,1,0,0,0,0|2,0,0]=4 684 B10R1.176 CC1=C(F)C=C(CN)C=C1 16749 [1,1,0,0,0,0|2,0,0]=4 685 B10R1.176 CC1=C(F)C=CC(CN)=C1 4495 [1,1,0,0,0,0|2,0,0]=4 686 B10R1.176 CC1=C(O)C=CC(C=O)=C1 8134 [1,1,0,0,0,0|1,0,1]=4 687 B10R1.176 CCC1=CC(Br)=C(N)C=C1 5314 [1,1,0,0,0,0|1,0,0]=3 688 B10R1.176 CCC1=CC(N)=C(O)C=C1 27789 [1,1,0,0,0,0|0,0,0]=2 689 B10R1.176 CCC1=CC(O)=C(Cl)C=C1 3644 [1,1,0,0,0,0|1,0,0]=3 690 B10R1.176 CCC1=CC=C(N)C(N)=C1 31890 [1,1,0,0,0,0|1,0,0]=3 691 B10R1.176 CCC1=CC=C(O)C(O)=C1 28104 [1,1,0,0,0,0|0,0,0]=2 692 B10R1.176 CNC1=CC(Cl)=C(Cl)C=C1 28299 [1,1,0,0,0,0|2,0,0]=4 693 B10R1.176 COC1=CC(Br)=C(Br)C=C1 4110 [1,1,0,0,0,0|1,0,0]=3 694 B10R1.176 COC1=CC(Br)=C(C)C=C1 24319 [1,1,0,0,0,0|1,0,0]=3 695 B10R1.176 COC1=CC(Br)=C(Cl)C=C1 4555 [1,1,0,0,0,0|1,0,0]=3 696 B10R1.176 COC1=CC(Br)=C(F)C=C1 28354 [1,1,0,0,0,0|1,0,0]=3 697 B10R1.176 COC1=CC(Br)=C(N)C=C1 31003 [1,1,0,0,0,0|1,0,0]=3 698 B10R1.176 COC1=CC(Br)=C(N)C=C1 4332 [1,1,0,0,0,0|1,0,0]=3 699 B10R1.176 COC1=CC(Br)=C(O)C=C1 4135 [1,1,0,0,0,0|0,0,0]=2 700 B10R1.176 COC1=CC(C)=C(Br)C=C1 3796 [1,1,0,0,0,0|1,0,0]=3 701 B10R1.176 COC1=CC(C)=C(C)C=C1 5361 [1,1,0,0,0,0|1,0,0]=3 702 B10R1.176 COC1=CC(C)=C(Cl)C=C1 2666 [1,1,0,0,0,0|1,0,0]=3 703 B10R1.176 COC1=CC(C)=C(F)C=C1 2623 [1,1,0,0,0,0|1,0,0]=3 704 B10R1.176 COC1=CC(C)=C(N)C=C1 28347 [1,1,0,0,0,0|1,0,0]=3 705 B10R1.176 COC1=CC(C)=C(O)C=C1 31104 [1,1,0,0,0,0|0,0,0]=2 706 B10R1.176 COC1=CC(C)=C(S)C=C1 6886 [1,1,0,0,0,0|0,1,0]=3 707 B10R1.176 COC1=CC(Cl)=C(Br)C=C1 2631 [1,1,0,0,0,0|1,0,0]=3 708 B10R1.176 COC1=CC(Cl)=C(C)C=C1 4101 [1,1,0,0,0,0|1,0,0]=3 709 B10R1.176 COC1=CC(Cl)=C(Cl)C=C1 3683 [1,1,0,0,0,0|1,0,0]=3 710 B10R1.176 COC1=CC(Cl)=C(F)C=C1 2660 [1,1,0,0,0,0|1,0,0]=3 711 B10R1.176 COC1=CC(Cl)=C(I)C=C1 27614 [1,1,0,0,0,0|1,0,0]=3 712 B10R1.176 COC1=CC(Cl)=C(N)C=C1 27577 [1,1,0,0,0,0|1,0,0]=3 713 B10R1.176 COC1=CC(Cl)=C(O)C=C1 3663 [1,1,0,0,0,0|0,0,0]=2 714 B10R1.176 COC1=CC(F)=C(Br)C=C1 1970 [1,1,0,0,0,0|1,0,0]=3 715 B10R1.176 COC1=CC(F)=C(Br)C=C1 20025 [1,1,0,0,0,0|1,0,0]=3 716 B10R1.176 COC1=CC(F)=C(C)C=C1 2621 [1,1,0,0,0,0|1,0,0]=3 717 B10R1.176 COC1=CC(F)=C(Cl)C=C1 2663 [1,1,0,0,0,0|1,0,0]=3 718 B10R1.176 COC1=CC(F)=C(F)C=C1 3457 [1,1,0,0,0,0|1,0,0]=3 719 B10R1.176 COC1=CC(F)=C(N)C=C1 15755 [1,1,0,0,0,0|1,0,0]=3 720 B10R1.176 COC1=CC(F)=C(O)C=C1 15011 [1,1,0,0,0,0|0,0,0]=2 721 B10R1.176 COC1=CC(I)=C(Br)C=C1 5347 [1,1,0,0,0,0|1,0,0]=3 722 B10R1.176 COC1=CC(I)=C(Cl)C=C1 5291 [1,1,0,0,0,0|1,0,0]=3 723 B10R1.176 COC1=CC(I)=C(N)C=C1 10738 [1,1,0,0,0,0|1,0,0]=3 724 B10R1.176 COC1=CC(N)=C(Br)C=C1 5335 [1,1,0,0,0,0|1,0,0]=3 725 B10R1.176 COC1=CC(N)=C(Br)C=C1 5367 [1,1,0,0,0,0|1,0,0]=3 726 B10R1.176 COC1=CC(N)=C(C)C=C1 19827 [1,1,0,0,0,0|1,0,0]=3 727 B10R1.176 COC1=CC(N)=C(Cl)C=C1 3658 [1,1,0,0,0,0|1,0,0]=3 728 B10R1.176 COC1=CC(N)=C(Cl)C=C1 3660 [1,1,0,0,0,0|1,0,0]=3 729 B10R1.176 COC1=CC(N)=C(F)C=C1 15806 [1,1,0,0,0,0|1,0,0]=3 730 B10R1.176 COC1=CC(N)=C(I)C=C1 31005 [1,1,0,0,0,0|1,0,0]=3 731 B10R1.176 COC1=CC(N)=C(N)C=C1 28370 [1,1,0,0,0,0|1,0,0]=3 732 B10R1.176 COC1=CC(N)=C(N)C=C1 28371 [1,1,0,0,0,0|1,0,0]=3 733 B10R1.176 COC1=CC(O)=C(Br)C=C1 13262 [1,1,0,0,0,0|1,0,0]=3 734 B10R1.176 COC1=CC(O)=C(C)C=C1 31114 [1,1,0,0,0,0|1,0,0]=3 735 B10R1.176 COC1=CC(O)=C(Cl)C=C1 10217 [1,1,0,0,0,0|1,0,0]=3 736 B10R1.176 COC1=CC(O)=C(F)C=C1 33440 [1,1,0,0,0,0|1,0,0]=3 737 B10R1.176 COC1=CC(S)=C(N)C=C1 21901 [1,1,0,0,0,0|1,0,0]=3 738 B10R1.176 COC1=CC=C(Cl)C(Br)=N1 34861 [1,1,0,0,0,0|2,0,0]=4 739 B10R1.176 COC1=CC=C(Cl)C(Cl)=N1 27271 [1,1,0,0,0,0|2,0,0]=4 740 B10R1.176 COC1=CC=C(Cl)C(N)=N1 34185 [1,1,0,0,0,0|2,0,0]=4 741 B10R1.176 COC1=CC=C(N)C(Br)=N1 1233 [1,1,0,0,0,0|2,0,0]=4 742 B10R1.176 COC1=CC=C(N)C(C)=N1 1267 [1,1,0,0,0,0|2,0,0]=4 743 B10R1.176 COC1=CC=C(N)C(C)=N1 16794 [1,1,0,0,0,0|2,0,0]=4 744 B10R1.176 COC1=CC=C(N)C(N)=N1 20870 [1,1,0,0,0,0|2,0,0]=4 745 B10R1.176 COC1=CC=C(N)C(N)=N1 5392 [1,1,0,0,0,0|2,0,0]=4 746 B10R1.176 COC1=CC=C(O)C(O)=C1 33439 [1,1,0,0,0,0|0,0,0]=2 747 B10R1.176 COC1=CN=C(Cl)C(N)=C1 26205 [1,1,0,0,0,0|2,0,0]=4 748 B10R1.176 COC1=NC(C)=C(Br)C=C1 29228 [1,1,0,0,0,0|2,0,0]=4 749 B10R1.176 COC1=NC(C)=C(Br)C=C1 6601 [1,1,0,0,0,0|2,0,0]=4 750 B10R1.176 COC1=NC(C)=C(F)C=C1 6605 [1,1,0,0,0,0|2,0,0]=4 751 B10R1.176 COC1=NC(C)=C(N)C=C1 1133 [1,1,0,0,0,0|2,0,0]=4 752 B10R1.176 COC1=NC=C(Br)C(C)=C1 6600 [1,1,0,0,0,0|2,0,0]=4 753 B10R1.176 COC1=NC=C(Cl)C(Br)=C1 34352 [1,1,0,0,0,0|2,0,0]=4 754 B10R1.176 COC1=NC=C(F)C(Br)=C1 17047 [1,1,0,0,0,0|2,0,0]=4 755 B10R1.176 COC1=NC=C(F)C(C)=C1 6604 [1,1,0,0,0,0|2,0,0]=4 756 B10R1.176 COC1=NC=C(F)C(I)=C1 15251 [1,1,0,0,0,0|2,0,0]=4 757 B10R1.176 COC1=NC=C(F)C(N)=C1 34238 [1,1,0,0,0,0|2,0,0]=4 758 B10R1.176 COC1=NC=C(N)C(C)=C1 6599 [1,1,0,0,0,0|2,0,0]=4 759 B10R1.176 COc1ccc(Br)c(N)c1 26521 [1,1,0,0,0,0|1,0,0]=3 760 B10R1.176 Cc1ccc(CO)cc1Cl 23926 [1,1,0,0,0,0|2,0,0]=4 761 B10R1.176 ClCC1=CC(Cl)=C(Cl)C=C1 13717 [1,1,0,0,0,0|2,0,0]=4 762 B10R1.176 FC1=C(Br)C=C(CBr)C=C1 26631 [1,1,0,0,0,0|2,0,0]=4 763 B10R1.176 FC1=C(Br)C=CC(CBr)=C1 24015 [1,1,0,0,0,0|2,0,0]=4 764 B10R1.176 FC1=C(Cl)C=C(CBr)C=C1 2130 [1,1,0,0,0,0|2,0,0]=4 765 B10R1.176 FC1=C(Cl)C=CC(CBr)=C1 4898 [1,1,0,0,0,0|2,0,0]=4 766 B10R1.176 FC1=C(Cl)C=CC(CCl)=C1 10205 [1,1,0,0,0,0|2,0,0]=4 767 B10R1.176 FC1=C(F)C=C(CBr)C=C1 4917 [1,1,0,0,0,0|2,0,0]=4 768 B10R1.176 FC1=C(F)C=C(CCl)C=C1 7357 [1,1,0,0,0,0|2,0,0]=4 769 B10R1.176 FC1=C(I)C=CC(CBr)=C1 31348 [1,1,0,0,0,0|2,0,0]=4 770 B10R1.176 N#CC1=CC(Br)=C(O)C=C1 3780 [1,1,0,0,0,0|1,0,1]=4 771 B10R1.176 N#CC1=CC(Cl)=C(O)C=C1 4726 [1,1,0,0,0,0|1,0,1]=4 772 B10R1.176 N#CC1=CC(F)=C(O)C=C1 2610 [1,1,0,0,0,0|1,0,1]=4 773 B10R1.176 N#CC1=CC(O)=C(O)C=C1 3120 [1,1,0,0,0,0|1,0,1]=4 774 B10R1.176 NCC1=CC(Br)=C(F)C=C1 3226 [1,1,0,0,0,0|2,0,0]=4 775 B10R1.176 NCC1=CC(Cl)=C(Cl)C=C1 11054 [1,1,0,0,0,0|2,0,0]=4 776 B10R1.176 NCC1=CC(Cl)=C(F)C=C1 4375 [1,1,0,0,0,0|2,0,0]=4 777 B10R1.176 NCC1=CC(F)=C(F)C=C1 1918 [1,1,0,0,0,0|2,0,0]=4 778 B10R1.176 NCC1=CC(O)=C(O)C=C1 21986 [1,1,0,0,0,0|1,0,0]=3 779 B10R1.176 O=CC1=CC(Br)=C(O)C=C1 3778 [1,1,0,0,0,0|1,0,1]=4 780 B10R1.176 O=CC1=CC(Cl)=C(O)C=C1 7764 [1,1,0,0,0,0|1,0,1]=4 781 B10R1.176 O=CC1=CC(F)=C(O)C=C1 1443 [1,1,0,0,0,0|1,0,1]=4 782 B10R1.176 O=CC1=CC(F)=C(O)C=C1 30905 [1,1,0,0,0,0|1,0,1]=4 783 B10R1.176 O=CC1=CC(O)=C(O)C=C1 8231 [1,1,0,0,0,0|1,0,1]=4 784 B10R1.176 OCC1=CC(Br)=C(F)C=C1 4884 [1,1,0,0,0,0|2,0,0]=4 785 B10R1.176 OCC1=CC(Cl)=C(Cl)C=C1 20761 [1,1,0,0,0,0|2,0,0]=4 786 B10R1.176 OCC1=CC(F)=C(F)C=C1 4916 [1,1,0,0,0,0|2,0,0]=4 787 B10R1.176 OCC1=CC(F)=C(I)C=C1 31282 [1,1,0,0,0,0|2,0,0]=4 788 B10R1.176 OCC1=CC(O)=C(F)C=C1 35161 [1,1,0,0,0,0|2,0,0]=4 789 B10R1.176 OCC1=CC(O)=C(I)C=C1 28804 [1,1,0,0,0,0|2,0,0]=4 790 B10R1.176 OCC1=CC(O)=C(O)C=C1 3025 [1,1,0,0,0,0|1,0,0]=3 791 B10R1.4 BrCCC1=C(Br)C=CC=C1 16179 [1,1,0,0,0,0|2,0,0]=4 792 B10R1.4 CCCC1=C(N)C=CC=C1 13695 [1,1,0,0,0,0|1,0,0]=3 793 B10R1.4 CCNC1=C(N)C=CN=C1 26071 [1,1,0,0,0,0|2,0,0]=4 794 B10R1.4 CCNC1=NC=CC=C1N 6237 [1,1,0,0,0,0|2,0,0]=4 795 B10R1.4 CCOC1=C(Br)C=CC=C1 3136 [1,1,0,0,0,0|0,0,0]=2 796 B10R1.4 CCOC1=C(Br)C=CN=C1 6659 [1,1,0,0,0,0|1,0,0]=3 797 B10R1.4 CCOC1=C(Br)C=NC=C1 34353 [1,1,0,0,0,0|1,0,0]=3 798 B10R1.4 CCOC1=C(C)C=CC=C1 3179 [1,1,0,0,0,0|0,0,0]=2 799 B10R1.4 CCOC1=C(Cl)C=CC=C1 3158 [1,1,0,0,0,0|0,0,0]=2 800 B10R1.4 CCOC1=C(Cl)C=CN=C1 6666 [1,1,0,0,0,0|1,0,0]=3 801 B10R1.4 CCOC1=C(F)C=CC=C1 3173 [1,1,0,0,0,0|0,0,0]=2 802 B10R1.4 CCOC1=C(N)C=CN=C1 27756 [1,1,0,0,0,0|1,0,0]=3 803 B10R1.4 CCOC1=C(N)C=NC=C1 9610 [1,1,0,0,0,0|1,0,0]=3 804 B10R1.4 CCOC1=C(O)C=CC=C1 9505 [1,1,0,0,0,0|0,0,0]=2 805 B10R1.4 CCOC1=C(S)C=CC=C1 10527 [1,1,0,0,0,0|0,0,0]=2 806 B10R1.4 CCOC1=CC=CN=C1Br 5890 [1,1,0,0,0,0|1,0,0]=3 807 B10R1.4 CCOC1=CC=CN=C1C 34423 [1,1,0,0,0,0|1,0,0]=3 808 B10R1.4 CCOC1=CC=CN=C1N 5585 [1,1,0,0,0,0|1,0,0]=3 809 B10R1.4 CCOC1=NC=CC=C1Br 6233 [1,1,0,0,0,0|1,0,0]=3 810 B10R1.4 CCOC1=NC=CC=C1I 9248 [1,1,0,0,0,0|1,0,0]=3 811 B10R1.4 CCOC1=NC=CN=C1C 9108 [1,1,0,0,0,0|2,0,0]=4 812 B10R1.4 CCSC1=C(Br)C=CC=C1 10531 [1,1,0,0,0,0|0,1,0]=3 813 B10R1.4 COCC1=C(Br)C=CC=C1 34659 [1,1,0,0,0,0|2,0,0]=4 814 B10R1.4 ClC1=C(CCBr)C=CC=C1 31587 [1,1,0,0,0,0|2,0,0]=4 815 B10R1.4 NC1=C(CCO)C=CC=C1 12462 [1,1,0,0,0,0|2,0,0]=4 816 B10R1.4 NCCC1=C(Br)C=CC=C1 22238 [1,1,0,0,0,0|2,0,0]=4 817 B10R1.4 NCCC1=C(F)C=CC=C1 27340 [1,1,0,0,0,0|2,0,0]=4 818 B10R1.4 NCCC1=C(O)C=CC=C1 16394 [1,1,0,0,0,0|2,0,0]=4 819 B10R1.4 Nc1ccccc1CCO 22282 [1,1,0,0,0,0|2,0,0]=4 820 B10R1.4 OCCC1=C(Br)C=CC=C1 16178 [1,1,0,0,0,0|2,0,0]=4 821 B10R1.4 OCCC1=C(O)C=CC=C1 31971 [1,1,0,0,0,0|2,0,0]=4 822 B10R1.10 CCOC1=CC(Br)=CC=C1 3137 [1,1,0,0,0,0|0,0,0]=2 823 B10R1.10 CCOC1=CC(Br)=CN=C1 14409 [1,1,0,0,0,0|1,0,0]=3 824 B10R1.10 CCOC1=CC(C)=CC=C1 3180 [1,1,0,0,0,0|0,0,0]=2 825 B10R1.10 CCOC1=CC(Cl)=CC=C1 3162 [1,1,0,0,0,0|0,0,0]=2 826 B10R1.10 CCOC1=CC(F)=CC=C1 3174 [1,1,0,0,0,0|0,0,0]=2 827 B10R1.10 CCOC1=CC(F)=NC=C1 6672 [1,1,0,0,0,0|1,0,0]=3 828 B10R1.10 CCOC1=CC(I)=CC=C1 3241 [1,1,0,0,0,0|0,0,0]=2 829 B10R1.10 CCOC1=CC(N)=CC=C1 9507 [1,1,0,0,0,0|0,0,0]=2 830 B10R1.10 CCOC1=CC(N)=NC=C1 5698 [1,1,0,0,0,0|1,0,0]=3 831 B10R1.10 CCOC1=CC(N)=NC=N1 34822 [1,1,0,0,0,0|2,0,0]=4 832 B10R1.10 CCOC1=CC=CC(Br)=N1 5971 [1,1,0,0,0,0|1,0,0]=3 833 B10R1.10 CCOC1=CC=CC(O)=C1 9510 [1,1,0,0,0,0|0,0,0]=2 834 B10R1.10 CCOC1=CC=CC(S)=C1 6826 [1,1,0,0,0,0|0,0,0]=2 835 B10R1.10 CCOC1=CN=CC(Cl)=C1 6619 [1,1,0,0,0,0|1,0,0]=3 836 B10R1.10 CCOC1=NC=CC(Br)=C1 22048 [1,1,0,0,0,0|1,0,0]=3 837 B10R1.10 CCOC1=NC=CC(Cl)=C1 22039 [1,1,0,0,0,0|1,0,0]=3 838 B10R1.10 CCOC1=NC=CC(N)=C1 6647 [1,1,0,0,0,0|1,0,0]=3 839 B10R1.10 CCOC1=NC=NC(C)=C1 21485 [1,1,0,0,0,0|2,0,0]=4 840 B10R1.10 CNCC1=CC(Br)=CC=C1 23425 [1,1,0,0,0,0|2,0,0]=4 841 B10R1.10 COCC1=CC=CC(F)=C1 24279 [1,1,0,0,0,0|2,0,0]=4 842 B10R1.10 FC1=CC=CC(CCBr)=C1 4671 [1,1,0,0,0,0|2,0,0]=4 843 B10R1.10 NC1=CC=CC(CCO)=C1 27351 [1,1,0,0,0,0|2,0,0]=4 844 B10R1.10 NCCC1=CC(Br)=CC=C1 17194 [1,1,0,0,0,0|2,0,0]=4 845 B10R1.10 NCCC1=CC(Br)=CC=C1 23432 [1,1,0,0,0,0|2,0,0]=4 846 B10R1.10 NCCC1=CC(F)=CC=C1 13958 [1,1,0,0,0,0|2,0,0]=4 847 B10R1.10 NCCC1=CC(N)=CC=C1 5799 [1,1,0,0,0,0|2,0,0]=4 848 B10R1.10 NCCC1=CC(O)=CC=C1 21937 [1,1,0,0,0,0|2,0,0]=4 849 B10R1.10 NCCC1=CC=CC(N)=C1 11375 [1,1,0,0,0,0|2,0,0]=4 850 B10R1.10 OCCC1=CC(Br)=CC=C1 14821 [1,1,0,0,0,0|2,0,0]=4 851 B10R1.10 OCCC1=CC(F)=CC=C1 28824 [1,1,0,0,0,0|2,0,0]=4 852 B10R1.15 BrCC(Br)C1=CC=CC=C1 13572 [1,1,0,0,0,0|2,0,0]=4 853 B10R1.15 CC(CBr)C1=CC=CC=C1 3829 [1,1,0,0,0,0|2,0,0]=4 854 B10R1.15 CC(CN)C1=CC=CC=C1 16143 [1,1,0,0,0,0|2,0,0]=4 855 B10R1.15 CCC(=O)C1=CC=CN=C1 27239 [1,1,0,0,0,0|2,0,0]=4 856 B10R1.15 CCC(C)C1=CC=CC=C1 28439 [1,1,0,0,0,0|1,0,0]=3 857 B10R1.15 CCC(N)C1=CC=CC=C1 21078 [1,1,0,0,0,0|1,0,0]=3 858 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 5668 [1,1,0,0,0,0|1,0,0]=3 859 B10R1.15 CNC(=O)C1=CC=CC=C1 35135 [1,1,0,0,0,0|2,0,0]=4 860 B10R1.15 CN[C@@H](C)C1=CC=CC=C1 18717 [1,1,0,0,0,0|2,0,0]=4 861 B10R1.15 C[C@H](CN)C1=CC=CC=C1 21084 [1,1,0,0,0,0|2,0,0]=4 862 B10R1.15 NCC(=O)C1=CC=CC=C1 10002 [1,1,0,0,0,0|2,0,0]=4 863 B10R1.15 NCC(=O)C1=CC=CC=C1 21792 [1,1,0,0,0,0|2,0,0]=4 864 B10R1.15 NCC(=O)C1=CC=CC=C1 3247 [1,1,0,0,0,0|2,0,0]=4 865 B10R1.15 NCC(O)C1=CC=CC=C1 44911 [1,1,0,0,0,0|2,0,0]=4 866 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 13836 [1,1,0,0,0,0|2,0,0]=4 867 B10R1.15 NC[C@H](O)C1=CC=CC=C1 14747 [1,1,0,0,0,0|2,0,0]=4 868 B10R1.15 N[C@@H](CO)c1ccccc1 6081 [1,1,0,0,0,0|2,0,0]=4 869 B10R1.15 N[C@H](CO)c1ccccc1 6080 [1,1,0,0,0,0|2,0,0]=4 870 B10R1.15 O=C(CBr)C1=CC=CC=C1 3257 [1,1,0,0,0,0|2,0,0]=4 871 B10R1.15 O=C(CCl)C1=CC=CC=C1 29268 [1,1,0,0,0,0|2,0,0]=4 872 B10R1.15 O=C(CF)C1=CC=CC=C1 3472 [1,1,0,0,0,0|2,0,0]=4 873 B10R1.15 O=C(CO)C1=CC=CC=C1 23011 [1,1,0,0,0,0|2,0,0]=4 874 B10R1.15 OC[C@@H](O)c1ccccc1 7148 [1,1,0,0,0,0|2,0,0]=4 875 B10R1.15 OC[C@H](O)c1ccccc1 7146 [1,1,0,0,0,0|2,0,0]=4 876 B10R1.15 O[C@H](CCl)C1=CC=CC=C1 15578 [1,1,0,0,0,0|2,0,0]=4 877 B10R1.17 BrCCCC1=CC=CC=C1 3832 [1,1,0,0,0,0|1,0,0]=3 878 B10R1.17 BrCCOC1=CC=CC=C1 3152 [1,1,0,0,0,0|0,0,0]=2 879 B10R1.17 C#CCSC1=CC=CC=C1 15323 [1,1,0,0,0,0|0,1,1]=4 880 B10R1.17 C=CCOC1=CC=CC=C1 29359 [1,1,0,0,0,0|0,0,1]=3 881 B10R1.17 C=COCC1=CC=CC=C1 36172 [1,1,0,0,0,0|0,0,2]=4 882 B10R1.17 CCCCC1=CC=CC=C1 13571 [1,1,0,0,0,0|1,0,0]=3 883 B10R1.17 CCNCC1=NC=CC=C1 23918 [1,1,0,0,0,0|2,0,0]=4 884 B10R1.17 CNCCC1=CC=NC=C1 14195 [1,1,0,0,0,0|2,0,0]=4 885 B10R1.17 ClCC#CC1=CC=CC=C1 13578 [1,1,0,0,0,0|1,0,1]=4 886 B10R1.17 ClCCOC1=CC=CC=C1 3167 [1,1,0,0,0,0|0,0,0]=2 887 B10R1.17 ClCCSC1=CC=CC=C1 36163 [1,1,0,0,0,0|0,1,0]=3 888 B10R1.17 ClCOCC1=CC=CC=C1 7566 [1,1,0,0,0,0|1,0,0]=3 889 B10R1.17 NCCCC1=CC=CN=C1 23791 [1,1,0,0,0,0|2,0,0]=4 890 B10R1.17 NCCOC1=CC=CC=C1 14773 [1,1,0,0,0,0|0,0,0]=2 891 B10R1.17 NCCOC1=CC=CC=C1 15299 [1,1,0,0,0,0|0,0,0]=2 892 B10R1.17 NNCCC1=CC=CC=C1 16246 [1,1,0,0,0,0|2,0,0]=4 893 B10R1.17 NNCOC1=CC=CN=C1 16450 [1,1,0,0,0,0|2,0,0]=4 894 B10R1.17 OCC#CC1=CC=CC=C1 13580 [1,1,0,0,0,0|1,0,1]=4 895 B10R1.17 OCCCC1=CC=CC=C1 15023 [1,1,0,0,0,0|1,0,0]=3 896 B10R1.17 OCCCC1=CC=CN=C1 13083 [1,1,0,0,0,0|2,0,0]=4 897 B10R1.17 OCCCC1=CC=NC=C1 13084 [1,1,0,0,0,0|2,0,0]=4 898 B10R1.17 OCCCC1=NC=CC=C1 13082 [1,1,0,0,0,0|2,0,0]=4 899 B10R1.17 OCCSC1=CC=CC=C1 10784 [1,1,0,0,0,0|0,1,0]=3 900 B10R1.18 CC(=O)SC1=CC=CC=C1 15324 [1,1,0,0,0,0|0,1,1]=4 901 B10R1.18 CC(C)OC1=CC=CC=C1 13188 [1,1,0,0,0,0|0,0,0]=2 902 B10R1.18 CC(C)OC1=CC=NC=C1 6684 [1,1,0,0,0,0|1,0,0]=3 903 B10R1.18 CC(O)CC1=CC=CC=C1 36130 [1,1,0,0,0,0|1,0,0]=3 904 B12R1.1 CC1=CC=C(OCCCN)C=C1 19188 [0,2,0,0,0,0|1,0,0]=3 905 B12R1.1 CCCCCC1=CC=C(N)C=C1 20586 [0,2,0,0,0,0|2,0,0]=4 906 B12R1.1 CCCCCc1ccc(Br)cc1 10634 [0,2,0,0,0,0|2,0,0]=4 907 B12R1.1 CCCCOC1=CC=C(O)C=C1 13206 [0,2,0,0,0,0|0,0,0]=2 908 B12R1.1 CCCCOC1=NC=C(Br)C=C1 22137 [0,2,0,0,0,0|2,0,0]=4 909 B12R1.1 FC1=CC=C(OCCCCl)C=C1 13184 [0,2,0,0,0,0|1,0,0]=3 910 B12R1.1 NCCCOC1=CC=C(Cl)C=C1 19179 [0,2,0,0,0,0|1,0,0]=3 911 B12R1.1 NCCCOC1=CC=C(F)C=C1 19164 [0,2,0,0,0,0|1,0,0]=3 912 B12R1.16 CCCC(=O)C1=CC=C(O)C=C1 21420 [0,2,0,0,0,0|1,0,0]=3 913 B12R1.16 CCOC(=O)C1=CC=C(Br)C=C1 3946 [0,2,0,0,0,0|1,0,0]=3 914 B12R1.16 CCOC(=O)C1=CC=C(C)C=C1 15489 [0,2,0,0,0,0|1,0,0]=3 915 B12R1.16 CCOC(=O)C1=CC=C(Cl)C=C1 3705 [0,2,0,0,0,0|1,0,0]=3 916 B12R1.16 CCOC(=O)C1=CC=C(Cl)N=C1 15179 [0,2,0,0,0,0|2,0,0]=4 917 B12R1.16 CCOC(=O)C1=CC=C(F)C=C1 3471 [0,2,0,0,0,0|1,0,0]=3 918 B12R1.16 CCOC(=O)C1=CC=C(I)C=C1 3886 [0,2,0,0,0,0|1,0,0]=3 919 B12R1.16 CCOC(=O)C1=CC=C(O)C=C1 20417 [0,2,0,0,0,0|0,0,0]=2 920 B12R1.16 CCOC(=O)C1=CC=C(O)C=C1 27408 [0,2,0,0,0,0|0,0,0]=2 921 B12R1.16 CCOC(=O)C1=CN=C(N)C=C1 12417 [0,2,0,0,0,0|2,0,0]=4 922 B12R1.16 CCOC(=O)C1=CNC(=O)C=C1 23611 [0,2,0,0,0,0|1,0,1]=4 923 B12R1.16 CCOC(=O)C1=NC=C(Br)C=C1 12621 [0,2,0,0,0,0|2,0,0]=4 924 B12R1.16 CCOC(=O)C1=NC=C(O)N=C1 30403 [0,2,0,0,0,0|2,0,0]=4 925 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 18243 [0,2,0,0,0,0|1,0,0]=3 926 B12R1.16 N[C@H](CCO)C1=CC=C(Br)C=C1 20483 [0,2,0,0,0,0|2,0,0]=4 927 B12R1.16 O=C(CCCl)C1=CC=C(Br)C=C1 13267 [0,2,0,0,0,0|2,0,0]=4 928 B12R1.16 O=C(CCCl)C1=CC=C(Cl)C=C1 13270 [0,2,0,0,0,0|2,0,0]=4 929 B12R1.16 O=C(CCCl)C1=CC=C(F)C=C1 13250 [0,2,0,0,0,0|2,0,0]=4 930 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 21102 [0,2,0,0,0,0|1,0,0]=3 931 B12R1.21 CN(C)CCC1=CC=C(O)C=C1 15217 [0,2,0,0,0,0|1,0,0]=3 932 B12R1.21 NC1=CC=C(OCC(=O)O)C=C1 16282 [0,2,0,0,0,0|1,0,1]=4 933 B12R1.21 O=C(O)COC1=CC=C(Cl)C=C1 20127 [0,2,0,0,0,0|1,0,1]=4 934 B12R1.49 COC(=O)CC1=CC=C(O)C=C1 19751 [0,2,0,0,0,0|1,0,1]=4 935 B12R1.49 N[C@@H](CO)CC1=CC=C(I)C=C1 23966 [0,2,0,0,0,0|2,0,0]=4 936 B12R1.49 N[C@H](CO)CC1=CC=C(Cl)C=C1 23081 [0,2,0,0,0,0|2,0,0]=4 937 B12R1.69 CCCCC1=C(O)C=C(O)C=C1 34144 [0,2,0,0,0,0|1,0,0]=3 938 B12R1.69 CCCOC1=C(S)C=C(Cl)C=C1 6859 [0,2,0,0,0,0|1,0,0]=3 939 B12R1.69 COCOC1=C(Br)C=C(C)C=C1 15107 [0,2,0,0,0,0|1,0,0]=3 940 B12R1.69 ClC1=CC(Cl)=C(OCCBr)C=C1 3151 [0,2,0,0,0,0|1,0,0]=3 941 B12R1.69 NC1=CC(N)=C(OCCO)C=C1 22224 [0,2,0,0,0,0|1,0,0]=3 942 B12R1.69 OCCOC1=NC=C(Br)C=C1O 26872 [0,2,0,0,0,0|2,0,0]=4 943 B12R1.71 C#CC1=CC=C(CCCC)C=C1 10978 [0,2,0,0,0,0|2,0,0]=4 944 B12R1.71 CCCOC1=CC=C(C=O)C=C1 20260 [0,2,0,0,0,0|0,0,1]=3 945 B12R1.71 CCNCC1=CC=C(OC)C=C1 26458 [0,2,0,0,0,0|1,0,0]=3 946 B12R1.71 COC1=CC=C(CCC=O)C=C1 10913 [0,2,0,0,0,0|1,0,1]=4 947 B12R1.71 COC1=CC=C(CCCN)C=C1 13994 [0,2,0,0,0,0|1,0,0]=3 948 B12R1.71 COC1=CC=C(CCCO)C=C1 14210 [0,2,0,0,0,0|1,0,0]=3 949 B12R1.71 COC1=CC=C(COCCl)C=C1 24122 [0,2,0,0,0,0|1,0,0]=3 950 B12R1.71 CSC1=CC=C(OCCN)C=C1 19160 [0,2,0,0,0,0|0,1,0]=3 951 B12R1.71 O=CC1=CC=C(OCCO)C=C1 35274 [0,2,0,0,0,0|0,0,1]=3 952 B12R1.385 CC1=C(O)C=C(NCCO)C=C1 22014 [0,2,0,0,0,0|2,0,0]=4 953 B12R1.385 CCCOC1=CC=C(N)C(N)=C1 2152 [0,2,0,0,0,0|1,0,0]=3 954 B12R1.385 CCCSC1=CC=C(N)C(N)=C1 44716 [0,2,0,0,0,0|1,1,0]=4 955 B12R1.4 C=CC1=CC=C(OC(C)=O)C=C1 16000 [0,2,0,0,0,0|1,0,1]=4 956 B12R1.4 CC(C)OC1=CC=C(C=O)C=C1 9651 [0,2,0,0,0,0|0,0,1]=3 957 B12R1.4 CC(C)OC1=NC=C(C=O)C=C1 17142 [0,2,0,0,0,0|1,0,1]=4 958 B12R1.4 COC1=CC=C(C[C@@H](C)N)C=C1 36095 [0,2,0,0,0,0|1,0,0]=3 959 B12R1.4 COC1=CC=C(NC(C)=O)C=C1 3327 [0,2,0,0,0,0|1,0,1]=4 960 B12R1.4 FC(F)OC1=CC=C(CBr)C=C1 31333 [0,2,0,0,0,0|2,0,0]=4 961 B12R1.4 N#CC1=CC=C(OC(F)F)C=C1 18485 [0,2,0,0,0,0|2,0,0]=4 962 B12R1.4 NCC1=CC=C(OC(F)F)C=C1 31254 [0,2,0,0,0,0|2,0,0]=4 963 B12R1.4 O=CC1=CC=C(OC(F)F)C=C1 7137 [0,2,0,0,0,0|1,0,1]=4 964 B12R1.19 CC(=O)NC1=CC(Cl)=C(O)C=C1 35738 [0,2,0,0,0,0|1,0,1]=4 965 B12R1.19 CC(=O)OC1=CC(Br)=C(Cl)C=C1 3056 [0,2,0,0,0,0|1,0,1]=4 966 B12R1.19 CC1=C(Br)C=CC(CC(C)C)=C1 35294 [0,2,0,0,0,0|2,0,0]=4 967 B12R1.20 CC(Br)C(=O)C1=CC=C(Cl)C=C1 35873 [0,2,0,0,0,0|2,0,0]=4 968 B12R1.106 CC(C)(C)OC1=CC=C(Br)C=C1 26114 [0,2,0,0,0,0|1,0,0]=3 969 B12R1.106 CC1=CC=C(OC(F)(F)F)C=C1 13486 [0,2,0,0,0,0|2,0,0]=4 970 B12R1.106 FC(F)(F)OC1=CC=C(Br)C=C1 1074 [0,2,0,0,0,0|2,0,0]=4 971 B12R1.106 FC(F)(F)OC1=CC=C(Cl)C=C1 4348 [0,2,0,0,0,0|2,0,0]=4 972 B12R1.106 FC(F)(F)OC1=CC=C(I)C=C1 1078 [0,2,0,0,0,0|2,0,0]=4 973 B12R1.106 FC(F)(F)OC1=CC=C(S)C=C1 15268 [0,2,0,0,0,0|1,1,0]=4 974 B12R1.106 FC1=CC=C(OC(F)(F)F)C=C1 1076 [0,2,0,0,0,0|2,0,0]=4 975 B12R1.106 NC1=CC=C(OC(F)(F)Cl)C=C1 2957 [0,2,0,0,0,0|2,0,0]=4 976 B12R1.106 NC1=CC=C(OC(F)(F)F)C=C1 7157 [0,2,0,0,0,0|2,0,0]=4 977 B12R1.106 OC1=CC=C(OC(F)(F)F)C=C1 1506 [0,2,0,0,0,0|1,0,0]=3 978 B12R1.106 OC1=CC=C(SC(F)(F)F)C=C1 10845 [0,2,0,0,0,0|1,1,0]=4 979 B12R1.233 CC(C)OC1=C(Cl)C=C(Br)C=C1 34524 [0,2,0,0,0,0|1,0,0]=3 980 B12R1.233 CC(C)OC1=NC=C(Br)C=C1Cl 22056 [0,2,0,0,0,0|2,0,0]=4 981 B12R1.233 CC(C)OC1=NC=C(Br)C=C1I 26898 [0,2,0,0,0,0|2,0,0]=4 982 B12R1.233 NC1=CC(F)=C(OC(F)F)C=C1 45011 [0,2,0,0,0,0|2,0,0]=4 983 B12R1.5 CCC(=O)C1=CC=C(CC)C=C1 28265 [0,2,0,0,0,0|2,0,0]=4 984 B12R1.5 COC1=CC=C(C(=O)CBr)C=C1 3261 [0,2,0,0,0,0|2,0,0]=4 985 B12R1.5 COC1=CC=C(C(=O)CCl)C=C1 3270 [0,2,0,0,0,0|2,0,0]=4 986 B12R1.5 COC1=CC=C(C(=O)CN)C=C1 22350 [0,2,0,0,0,0|2,0,0]=4 987 B12R1.5 COC1=CC=C([C@H](O)CN)C=C1 19377 [0,2,0,0,0,0|2,0,0]=4 988 B12R1.367 CCC(=O)C1=CC(Cl)=C(Cl)C=C1 29293 [0,2,0,0,0,0|2,0,0]=4 989 B12R1.367 COC(=O)C1=CC(C)=C(O)C=C1 30528 [0,2,0,0,0,0|2,0,0]=4 990 B12R1.367 COC(=O)C1=CC(Cl)=C(O)C=C1 30511 [0,2,0,0,0,0|2,0,0]=4 991 B12R1.367 COC(=O)C1=CC(I)=C(O)C=C1 27778 [0,2,0,0,0,0|2,0,0]=4 992 B12R1.367 COC(=O)C1=CC(N)=C(O)C=C1 28531 [0,2,0,0,0,0|2,0,0]=4 993 B12R1.367 NC[C@H](O)C1=CC=C(O)C(O)=C1 6074 [0,2,0,0,0,0|2,0,0]=4 994 B12R1.367 NC[C@H](O)c1ccc(O)c(O)c1 36477 [0,2,0,0,0,0|2,0,0]=4 995 B12R1.367 O=C(CCl)C1=CC(O)=C(O)C=C1 3386 [0,2,0,0,0,0|2,0,0]=4 996 B12R1.1703 CCC(=O)C1=C(Cl)C=C(Cl)C=C1 24408 [0,2,0,0,0,0|2,0,0]=4 997 B12R1.1703 CCC(=O)C1=C(F)C=C(Br)C=C1 27629 [0,2,0,0,0,0|2,0,0]=4 998 B12R1.1703 COC(=O)C1=C(F)C=C(O)C=C1 28639 [0,2,0,0,0,0|2,0,0]=4 999 B12R1.1703 COC(=O)C1=C(O)C=C(O)C=C1 35728 [0,2,0,0,0,0|2,0,0]=4 1000 B12R1.112 CCOC1=C(C=O)C=C(Br)C=C1 2641 [0,2,0,0,0,0|1,0,0]=3 1001 B12R1.114 CCOC1=C(Br)C=C(C=O)C=C1 2640 [0,2,0,0,0,0|0,0,1]=3 1002 B12R1.544 CCOC1=C(F)C(F)=C(Br)C=C1 10702 [0,2,0,0,0,0|1,0,0]=3 1003 B12R1.113 CCCC1=CC=C(B(O)O)C=C1 7892 [0,2,0,0,0,0|1,0,0]=3 1004 B12R1.113 CCOC1=CC=C(B(O)O)C=C1 1836 [0,2,0,0,0,0|0,0,0]=2 1005 B12R1.113 CCOC1=CC=C(B(O)O)C=N1 20147 [0,2,0,0,0,0|1,0,0]=3 1006 B12R1.113 CCOC1=CC=C(C(=O)Cl)C=C1 10868 [0,2,0,0,0,0|0,0,1]=3 1007 B12R1.113 CCOC1=CC=C(C(=O)O)C=C1 2686 [0,2,0,0,0,0|0,0,0]=2 1008 B12R1.113 CCOC1=CC=C(C(C)=O)C=C1 3306 [0,2,0,0,0,0|0,0,1]=3 1009 B12R1.113 CCOC1=CC=C([N+](=O)[O-])C=C1 3190 [0,2,0,0,0,0|0,0,1]=3 1010 B12R1.113 CCOC1=CN=C(C(=O)O)C=N1 32172 [0,2,0,0,0,0|2,0,0]=4 1011 B12R1.113 CCOC1=NC=C(B(O)O)C=N1 34844 [0,2,0,0,0,0|2,0,0]=4 1012 B12R1.113 CCOC1=NC=C([N+](=O)[O-])C=C1 6236 [0,2,0,0,0,0|1,0,1]=4 1013 B12R1.113 CCSC1=CC=C(B(O)O)C=C1 1845 [0,2,0,0,0,0|0,1,0]=3 1014 B12R1.113 CNCC1=CC=C(B(O)O)C=C1 34184 [0,2,0,0,0,0|2,0,0]=4 1015 B12R1.113 COCC1=CC=C(B(O)O)C=C1 29543 [0,2,0,0,0,0|2,0,0]=4 1016 B12R1.113 O=C(O)C1=CC=C(CCBr)C=C1 30479 [0,2,0,0,0,0|2,0,0]=4 1017 B12R1.116 CCOC1=CC=C(CC#N)C=C1 4163 [0,2,0,0,0,0|1,0,0]=3 1018 B12R1.116 CCOC1=CC=C(N=C=O)C=C1 3178 [0,2,0,0,0,0|0,0,1]=3 1019 B12R1.116 CCOC1=CC=C(N=C=S)C=C1 9560 [0,2,0,0,0,0|0,1,0]=3 1020 B12R1.116 COCC1=CC=C(COC)C=C1 9024 [0,2,0,0,0,0|2,0,0]=4 1021 B12R1.116 OCCC1=CC=C(CCO)C=C1 25448 [0,2,0,0,0,0|2,0,0]=4 1022 B12R1.288 CCOC1=CC(O)=C(C=O)C=C1 26112 [0,2,0,0,0,0|0,0,1]=3 1023 B12R1.288 COC1=C(O)C=C(CCN)C=C1 19594 [0,2,0,0,0,0|2,0,0]=4 1024 B12R1.286 COC1=C(O)C=CC(CCN)=C1 34925 [0,2,0,0,0,0|2,0,0]=4 1025 B10R1.2 CCC1=C(O)C(O)=CC=C1 33193 [0,0,1,1,0,0|2,0,0]=4 1026 B10R1.2 CCC1=CC=CC(O)=C1F 27791 [0,0,1,1,0,0|2,0,0]=4 1027 B10R1.30 CCC1=C(Cl)C=CC(O)=C1 2213 [0,0,1,1,0,0|2,0,0]=4 1028 B10R1.30 CCC1=C(F)C=CC(O)=C1 27790 [0,0,1,1,0,0|2,0,0]=4 1029 B10R2.6 C1=CC=C(C2CC2)C=C1 19698 [1,0,0,1,0,0|1,0,0]=3 1030 B10R2.6 C1=CC=C([C@@H]2CO2)C=C1 5831 [1,0,0,1,0,0|2,0,0]=4 1031 B10R2.6 C1=CC=C([C@H]2CO2)C=C1 5835 [1,0,0,1,0,0|2,0,0]=4 1032 B10R2.7 B1OC2=C(C=CC=C2)O1 18191 [1,0,0,1,0,0|2,0,0]=4 1033 B10R2.7 C1=CC2=C(C=C1)OC=C2 7003 [1,0,0,1,0,0|0,0,2]=4 1034 B10R2.7 C1=CC2=C(C=C1)OC=N2 21884 [1,0,0,1,0,0|1,0,1]=4 1035 B10R2.7 C1=CC2=C(C=C1)OCC2 6931 [1,0,0,1,0,0|0,0,0]=2 1036 B10R2.7 C1=CC2=C(C=C1)OCO2 2537 [1,0,0,1,0,0|1,0,0]=3 1037 B10R2.7 C1=CC=C2CC=CC2=C1 20728 [1,0,0,1,0,0|1,0,1]=4 1038 B10R2.7 C1=CC=C2CCCC2=C1 20379 [1,0,0,1,0,0|1,0,0]=3 1039 B10R2.7 C1=CC=C2CNCC2=C1 16248 [1,0,0,1,0,0|2,0,0]=4 1040 B10R2.7 C1=CC=C2CNCC2=C1 16512 [1,0,0,1,0,0|2,0,0]=4 1041 B10R2.7 C1=CC=C2CNCC2=C1 33470 [1,0,0,1,0,0|2,0,0]=4 1042 B10R2.7 C1=CC=C2NCCC2=C1 7502 [1,0,0,1,0,0|1,0,0]=3 1043 B10R2.7 C1=CN=C2CCCC2=C1 15900 [1,0,0,1,0,0|2,0,0]=4 1044 B10R2.7 C1=CN=C2NCCC2=C1 18022 [1,0,0,1,0,0|2,0,0]=4 1045 B10R2.7 C1=NC=C2NCCC2=C1 18023 [1,0,0,1,0,0|2,0,0]=4 1046 B10R2.320 BrC1CC2=CC=CC=C21 36330 [1,0,0,1,0,0|2,0,0]=4 1047 B12R2.24 BrC1=CC2=C(C=C1)NCCO2 22676 [0,1,0,1,0,0|2,0,0]=4 1048 B12R2.24 BrC1=CC2=C(C=C1)OCCN2 17444 [0,1,0,1,0,0|1,0,0]=3 1049 B12R2.24 BrC1=CC2=C(C=C1)OCCO2 3736 [0,1,0,1,0,0|1,0,0]=3 1050 B12R2.24 BrC1=CC=C2CCCNC2=C1 25212 [0,1,0,1,0,0|2,0,0]=4 1051 B12R2.24 BrC1=CC=C2CCCOC2=C1 34276 [0,1,0,1,0,0|2,0,0]=4 1052 B12R2.24 BrC1=CC=C2CCNCC2=C1 24727 [0,1,0,1,0,0|2,0,0]=4 1053 B12R2.24 BrC1=CC=C2CNCCC2=C1 24726 [0,1,0,1,0,0|2,0,0]=4 1054 B12R2.24 BrC1=CC=C2COCCC2=C1 27929 [0,1,0,1,0,0|1,0,0]=3 1055 B12R2.24 BrC1=CC=C2NCCCC2=C1 24715 [0,1,0,1,0,0|2,0,0]=4 1056 B12R2.24 BrC1=CC=C2OCCCC2=C1 34593 [0,1,0,1,0,0|1,0,0]=3 1057 B12R2.24 ClC1=CC2=C(C=C1)NCCO2 34210 [0,1,0,1,0,0|2,0,0]=4 1058 B12R2.24 ClC1=CC2=C(C=C1)OCCN2 27891 [0,1,0,1,0,0|1,0,0]=3 1059 B12R2.24 ClC1=CC=C2CCCNC2=C1 34604 [0,1,0,1,0,0|2,0,0]=4 1060 B12R2.24 ClC1=CC=C2CCNCC2=C1 31894 [0,1,0,1,0,0|2,0,0]=4 1061 B12R2.24 FC1=CC=C2CCNCC2=C1 31895 [0,1,0,1,0,0|2,0,0]=4 1062 B12R2.24 FC1=CC=C2CNCCC2=C1 35560 [0,1,0,1,0,0|2,0,0]=4 1063 B12R2.24 FC1=CC=C2NCCCC2=C1 27932 [0,1,0,1,0,0|2,0,0]=4 1064 B12R2.24 IC1=CC=C2OCCCC2=N1 27030 [0,1,0,1,0,0|2,0,0]=4 1065 B12R2.24 NC1=CC2=C(C=C1)NCCO2 33680 [0,1,0,1,0,0|2,0,0]=4 1066 B12R2.24 NC1=CC2=C(C=C1)OCCO2 31954 [0,1,0,1,0,0|1,0,0]=3 1067 B12R2.24 NC1=CC=C2CCCNC2=C1 5887 [0,1,0,1,0,0|2,0,0]=4 1068 B12R2.24 NC1=CC=C2CCNCC2=C1 34159 [0,1,0,1,0,0|2,0,0]=4 1069 B12R2.24 NC1=CN=C2OCCOC2=C1 26743 [0,1,0,1,0,0|2,0,0]=4 1070 B12R2.24 OC1=CC2=C(C=C1)CCCC2 15404 [0,1,0,1,0,0|1,0,0]=3 1071 B12R2.24 OC1=CC2=C(C=C1)NCCO2 27735 [0,1,0,1,0,0|1,0,0]=3 1072 B12R2.24 OC1=CC2=C(C=C1)OCCN2 20876 [0,1,0,1,0,0|0,0,0]=2 1073 B12R2.24 OC1=CC2=C(CCNC2)N=C1 17766 [0,1,0,1,0,0|2,0,0]=4 1074 B12R2.24 OC1=CC=C2CCCNC2=C1 12787 [0,1,0,1,0,0|1,0,0]=3 1075 B12R2.24 OC1=CC=C2CNCCC2=C1 13941 [0,1,0,1,0,0|1,0,0]=3 1076 B12R2.24 OC1=CC=C2CNCCC2=C1 8301 [0,1,0,1,0,0|1,0,0]=3 1077 B12R2.24 OC1=CC=C2NCCCC2=C1 12785 [0,1,0,1,0,0|1,0,0]=3 1078 B12R2.24 OC1=CC=C2OCCCC2=C1 25609 [0,1,0,1,0,0|0,0,0]=2 1079 B12R2.24 OC1=CN=C2OCCOC2=C1 26747 [0,1,0,1,0,0|1,0,0]=3 1080 B12R2.132 CC1=C2C=C(Cl)C=CC2=NO1 33811 [0,1,0,1,0,0|1,0,1]=4 1081 B12R2.132 CC1=CNC2=CC=C(O)C=C12 21876 [0,1,0,1,0,0|1,0,1]=4 1082 B12R2.132 CC1=COC2=C1C=C(Br)C=C2 32473 [0,1,0,1,0,0|1,0,1]=4 1083 B12R2.132 CC1=NNC2=CC=C(O)C=C21 32538 [0,1,0,1,0,0|1,0,1]=4 1084 B12R2.132 NC1CCC2=CC=C(O)C=C21 23073 [0,1,0,1,0,0|1,0,0]=3 1085 B12R2.132 N[C@@H]1CCc2ccc(O)cc21 23068 [0,1,0,1,0,0|1,0,0]=3 1086 B12R2.132 O=C1CCC2=CC=C(O)C=C12 9660 [0,1,0,1,0,0|1,0,1]=4 1087 B12R2.132 O=C1COC2=C1C=C(Br)C=C2 17377 [0,1,0,1,0,0|1,0,1]=4 1088 B12R2.132 O=C1COC2=C1C=C(Br)C=C2 18004 [0,1,0,1,0,0|1,0,1]=4 1089 B12R2.132 O=C1COC2=C1C=C(Br)C=C2 18005 [0,1,0,1,0,0|1,0,1]=4 1090 B12R2.132 O=C1COC2=C1C=C(Cl)C=C2 18003 [0,1,0,1,0,0|1,0,1]=4 1091 B12R2.132 O=C1OCC2=CC=C(O)C=C12 22513 [0,1,0,1,0,0|1,0,1]=4 1092 B12R2.606 CC1=CC2=C(C=C1)OC(C)=N2 8640 [0,1,0,1,0,0|1,0,1]=4 1093 B12R2.606 CC1=CC2=C(C=CC(Br)=C2)O1 32466 [0,1,0,1,0,0|1,0,1]=4 1094 B12R2.606 CC1=CC2=CC(O)=CC=C2N1 8551 [0,1,0,1,0,0|1,0,1]=4 1095 B12R2.606 CC1=CC2=CC=C(O)C=C2N1 19945 [0,1,0,1,0,0|1,0,1]=4 1096 B12R2.606 CC1=NC2=C(C=C(O)C=C2)O1 24256 [0,1,0,1,0,0|1,0,1]=4 1097 B12R2.606 CC1=NC2=C(C=C(O)C=C2)S1 17329 [0,1,0,1,0,0|1,0,1]=4 1098 B12R2.606 CC1=NC2=C(C=CC(Br)=C2)O1 33471 [0,1,0,1,0,0|1,0,1]=4 1099 B12R2.606 CC1=NC2=C(C=CC(Cl)=C2)O1 8645 [0,1,0,1,0,0|1,0,1]=4 1100 B12R2.606 CC1=NC2=C(C=CC(O)=C2)O1 33731 [0,1,0,1,0,0|0,0,1]=3 1101 B12R2.606 NC1CC2=CC=C(Br)C=C2C1 34824 [0,1,0,1,0,0|2,0,0]=4 1102 B12R2.606 NC1CC2=CC=C(I)C=C2C1 19968 [0,1,0,1,0,0|2,0,0]=4 1103 B12R2.606 NC1CC2=CC=C(I)C=C2C1 25849 [0,1,0,1,0,0|2,0,0]=4 1104 B12R2.606 O=C1CC2=CC(O)=CC=C2N1 7348 [0,1,0,1,0,0|1,0,1]=4 1105 B12R2.606 O=C1OC2=C(C=C(O)C=C2)S1 15342 [0,1,0,1,0,0|1,0,1]=4 1106 B12R2.606 OC1CC2=CC=C(Br)C=C2C1 34825 [0,1,0,1,0,0|2,0,0]=4 1107 B12R2.290 NC1(C2=CC=C(Cl)C=C2)CC1 19083 [0,1,0,1,0,0|2,0,0]=4 1108 B12R2.612 CC1=CC=C2C(=O)CCC2=C1 8850 [0,1,0,1,0,0|2,0,0]=4 1109 B12R2.612 NC1=CC=C2C(=O)CCC2=C1 14476 [0,1,0,1,0,0|2,0,0]=4 1110 B12R2.612 O=C1CCC2=CC(Br)=CC=C12 8853 [0,1,0,1,0,0|2,0,0]=4 1111 B12R2.612 O=C1CCC2=CC(Cl)=CC=C12 2250 [0,1,0,1,0,0|2,0,0]=4 1112 B12R2.612 O=C1CCC2=CC(F)=CC=C12 2388 [0,1,0,1,0,0|2,0,0]=4 1113 B12R2.612 O=C1CCC2=CC(I)=CC=C12 17862 [0,1,0,1,0,0|2,0,0]=4 1114 B12R2.612 O=C1CCC2=CC(O)=CC=C12 8857 [0,1,0,1,0,0|1,0,0]=3 1115 B12R2.612 O=C1COC2=C1C=CC(O)=C2 28015 [0,1,0,1,0,0|2,0,0]=4 1116 B12R2.612 O=C1NCc2cc(O)ccc21 31625 [0,1,0,1,0,0|2,0,0]=4 1117 B12R2.246 FC1=CC2=C(OCC2)C(F)=C1 6928 [0,1,0,1,0,0|1,0,0]=3 1118 B12R2.246 OC1=CC2=C(OC=C2)C(Br)=C1 28032 [0,1,0,1,0,0|0,0,2]=4 1119 B12R2.44 COC1=CC=C2CCNC2=C1 20088 [0,1,0,1,0,0|2,0,0]=4 1120 B12R2.44 COC1=CC=C2CCNC2=C1 8317 [0,1,0,1,0,0|2,0,0]=4 1121 B12R2.44 COC1=CC=C2CNCC2=C1 17685 [0,1,0,1,0,0|2,0,0]=4 1122 B12R2.44 COC1=CC=C2NCCC2=C1 8318 [0,1,0,1,0,0|1,0,0]=3 1123 B12R2.44 ClCC1=CC2=C(C=C1)OCC2 7796 [0,1,0,1,0,0|1,0,0]=3 1124 B12R2.44 ClCC1=CC2=C(C=C1)OCO2 35833 [0,1,0,1,0,0|2,0,0]=4 1125 B12R2.44 N#CC1=CC2=C(C=C1)OCO2 15358 [0,1,0,1,0,0|2,0,0]=4 1126 B12R2.44 NCC1=CC2=C(C=C1)OCC2 6985 [0,1,0,1,0,0|1,0,0]=3 1127 B12R2.44 NCC1=CC2=C(C=C1)OCO2 7387 [0,1,0,1,0,0|2,0,0]=4 1128 B12R2.44 O=CC1=CC2=C(C=C1)OCC2 13007 [0,1,0,1,0,0|0,0,1]=3 1129 B12R2.44 O=CC1=CC=C2CCCC2=C1 21537 [0,1,0,1,0,0|1,0,1]=4 1130 B12R2.44 OCC1=CC2=C(C=C1)CCO2 33826 [0,1,0,1,0,0|2,0,0]=4 1131 B12R2.44 OCC1=CC2=C(C=C1)OC=C2 7026 [0,1,0,1,0,0|0,0,2]=4 1132 B12R2.44 OCC1=CC2=C(C=C1)OCC2 7802 [0,1,0,1,0,0|0,0,0]=2 1133 B12R2.44 OCC1=CC2=C(C=C1)OCO2 13179 [0,1,0,1,0,0|1,0,0]=3 1134 B12R2.82 NC1=C(Cl)C=CC2=C1OCO2 25865 [0,1,0,1,0,0|2,0,0]=4 1135 B12R2.100 OC1=C(O)C=C2NCCC2=C1 17376 [0,1,0,1,0,0|1,0,0]=3 1136 B8R1.1 COC1=CC=C(O)O1 22256 [1,0,0,0,1,0|1,0,0]=3 1137 B8R1.8 CCOC1=NC=CS1 9943 [1,0,0,0,1,0|2,0,0]=4