0 B10R1.3 BrCC1=CC=C(CBr)C=C1 10202 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.3 C#CC1=CC=C(C#C)C=C1 25869 [0,0,0,0,0,0|2,0,2]=4 2 B10R1.3 C#CC1=CC=C(CC)C=C1 10925 [0,0,0,0,0,0|2,0,1]=3 3 B10R1.3 C=CC1=CC=C(CCl)C=C1 25812 [0,0,0,0,0,0|2,0,1]=3 4 B10R1.3 C=CC1=NC=C(CC)C=C1 19454 [0,0,0,0,0,0|3,0,1]=4 5 B10R1.3 CCC1=CC=C(C=O)C=C1 3072 [0,0,0,0,0,0|1,0,2]=3 6 B10R1.3 CCC1=CC=C(CCl)C=C1 4921 [0,0,0,0,0,0|2,0,0]=2 7 B10R1.3 CCC1=CC=C(OC)C=C1 25322 [0,0,0,0,0,0|1,0,0]=1 8 B10R1.3 CCc1ccc(CCl)cc1 36258 [0,0,0,0,0,0|2,0,0]=2 9 B10R1.3 CNC1=CC=C(C#N)C=C1 4815 [0,0,0,0,0,0|2,0,1]=3 10 B10R1.3 CNC1=CC=C(OC)C=C1 25931 [0,0,0,0,0,0|2,0,0]=2 11 B10R1.3 COC1=CC=C(C#N)C=C1 8162 [0,0,0,0,0,0|1,0,1]=2 12 B10R1.3 COC1=CC=C(C=O)C=C1 22535 [0,0,0,0,0,0|0,0,2]=2 13 B10R1.3 COC1=CC=C(C=O)C=N1 5152 [0,0,0,0,0,0|1,0,2]=3 14 B10R1.3 COC1=CC=C(CBr)C=C1 15882 [0,0,0,0,0,0|1,0,0]=1 15 B10R1.3 COC1=CC=C(CCl)C=C1 18654 [0,0,0,0,0,0|1,0,0]=1 16 B10R1.3 COC1=CC=C(CN)C=C1 4428 [0,0,0,0,0,0|1,0,0]=1 17 B10R1.3 COC1=CC=C(CN)C=N1 33703 [0,0,0,0,0,0|2,0,0]=2 18 B10R1.3 COC1=CC=C(CO)C=C1 19100 [0,0,0,0,0,0|0,0,0]=0 19 B10R1.3 COC1=CC=C(CS)C=C1 6839 [0,0,0,0,0,0|0,1,0]=1 20 B10R1.3 COC1=CC=C(NN)C=C1 4498 [0,0,0,0,0,0|2,0,0]=2 21 B10R1.3 COC1=CC=C(SC)C=C1 10655 [0,0,0,0,0,0|2,0,0]=2 22 B10R1.3 COC1=CN=C(C=O)C=C1 24092 [0,0,0,0,0,0|1,0,2]=3 23 B10R1.3 COC1=CN=C(CO)C=C1 34570 [0,0,0,0,0,0|1,0,0]=1 24 B10R1.3 COC1=NC=C(C#N)C=C1 15154 [0,0,0,0,0,0|2,0,1]=3 25 B10R1.3 COC1=NC=C(C=O)C=N1 5296 [0,0,0,0,0,0|2,0,2]=4 26 B10R1.3 CSC1=CC=C(C#N)C=C1 10528 [0,0,0,0,0,0|1,1,1]=3 27 B10R1.3 CSC1=CC=C(C=O)C=C1 10796 [0,0,0,0,0,0|0,1,2]=3 28 B10R1.3 CSC1=CC=C(CCl)C=C1 10530 [0,0,0,0,0,0|1,1,0]=2 29 B10R1.3 CSC1=CC=C(CN)C=C1 27539 [0,0,0,0,0,0|1,1,0]=2 30 B10R1.3 CSC1=CC=C(CO)C=C1 7470 [0,0,0,0,0,0|0,1,0]=1 31 B10R1.3 ClCC1=CC=C(CCl)C=C1 10211 [0,0,0,0,0,0|3,0,0]=3 32 B10R1.3 N#CC1=CC=C(C=O)C=C1 3118 [0,0,0,0,0,0|2,0,2]=4 33 B10R1.3 N#CC1=CC=C(CBr)C=C1 7495 [0,0,0,0,0,0|3,0,0]=3 34 B10R1.3 N#CC1=CC=C(CCl)C=C1 7377 [0,0,0,0,0,0|3,0,0]=3 35 B10R1.3 N#CC1=CC=C(CN)C=C1 2057 [0,0,0,0,0,0|3,0,0]=3 36 B10R1.3 N#CC1=CC=C(CN)C=C1 9986 [0,0,0,0,0,0|3,0,0]=3 37 B10R1.3 N#CC1=CC=C(NN)C=C1 13684 [0,0,0,0,0,0|3,0,1]=4 38 B10R1.3 N#CC1=NC=C(CBr)C=C1 11368 [0,0,0,0,0,0|4,0,0]=4 39 B10R1.3 N#Cc1ccc(CO)cc1 31292 [0,0,0,0,0,0|2,0,0]=2 40 B10R1.3 O=CC1=CC=C(C=O)C=C1 35665 [0,0,0,0,0,0|2,0,2]=4 41 B10R1.3 O=CC1=CC=C(CBr)C=C1 19839 [0,0,0,0,0,0|3,0,0]=3 42 B10R1.3 O=CC1=CC=C(CCl)C=C1 30942 [0,0,0,0,0,0|3,0,0]=3 43 B10R1.3 OCC1=CC=C(CBr)C=C1 27440 [0,0,0,0,0,0|2,0,0]=2 44 B10R1.3 SCc1ccc(CS)cc1 6840 [0,0,0,0,0,0|2,1,0]=3 45 B9R1.1 BrCC1=CC=C(Br)C=C1 7460 [1,0,0,0,0,0|2,0,0]=3 46 B9R1.1 BrCC1=CC=C(I)C=C1 3557 [1,0,0,0,0,0|2,0,0]=3 47 B9R1.1 C#CC1=CC=C(C)C=C1 10922 [1,0,0,0,0,0|1,0,1]=3 48 B9R1.1 C#CC1=CC=C(F)C=C1 16719 [1,0,0,0,0,0|2,0,1]=4 49 B9R1.1 C#CC1=CC=C(I)C=C1 34237 [1,0,0,0,0,0|2,0,1]=4 50 B9R1.1 C#CC1=CC=C(N)C=C1 26130 [1,0,0,0,0,0|2,0,1]=4 51 B9R1.1 C=CC1=CC=C(Cl)C=C1 12659 [1,0,0,0,0,0|2,0,1]=4 52 B9R1.1 C=CC1=CC=C(N)C=C1 12625 [1,0,0,0,0,0|2,0,1]=4 53 B9R1.1 C=CC1=CN=C(C)C=C1 15153 [1,0,0,0,0,0|2,0,1]=4 54 B9R1.1 CC1=CC=C(C#N)C=C1 8168 [1,0,0,0,0,0|1,0,1]=3 55 B9R1.1 CC1=CC=C(C=O)C=C1 15497 [1,0,0,0,0,0|0,0,2]=3 56 B9R1.1 CC1=CC=C(CN)C=C1 10199 [1,0,0,0,0,0|1,0,0]=2 57 B9R1.1 CC1=CC=C(CO)C=N1 27403 [1,0,0,0,0,0|1,0,0]=2 58 B9R1.1 CC1=CC=C(NN)C=C1 4500 [1,0,0,0,0,0|2,0,0]=3 59 B9R1.1 CC1=CN=C(C#N)C=C1 12978 [1,0,0,0,0,0|2,0,1]=4 60 B9R1.1 CC1=CN=C(C=O)C=C1 17169 [1,0,0,0,0,0|1,0,2]=4 61 B9R1.1 CC1=NC=C(C#N)C=C1 6695 [1,0,0,0,0,0|2,0,1]=4 62 B9R1.1 CC1=NC=C(C=O)C=C1 19463 [1,0,0,0,0,0|1,0,2]=4 63 B9R1.1 CC1=NC=C(CN)C=N1 24665 [1,0,0,0,0,0|3,0,0]=4 64 B9R1.1 CC1=NC=C(NN)C=C1 19456 [1,0,0,0,0,0|3,0,0]=4 65 B9R1.1 CC1=NC=C(NN)C=C1 26049 [1,0,0,0,0,0|3,0,0]=4 66 B9R1.1 CCC1=CC=C(Br)C=C1 3772 [1,0,0,0,0,0|2,0,0]=3 67 B9R1.1 CCC1=CC=C(C)C=C1 21843 [1,0,0,0,0,0|1,0,0]=2 68 B9R1.1 CCC1=CC=C(I)C=C1 3877 [1,0,0,0,0,0|2,0,0]=3 69 B9R1.1 CCC1=CC=C(N)C=C1 26342 [1,0,0,0,0,0|2,0,0]=3 70 B9R1.1 CCC1=CC=C(O)C=C1 3874 [1,0,0,0,0,0|1,0,0]=2 71 B9R1.1 CCC1=CC=C(S)C=C1 6813 [1,0,0,0,0,0|1,1,0]=3 72 B9R1.1 CCC1=CN=C(C)C=C1 10482 [1,0,0,0,0,0|2,0,0]=3 73 B9R1.1 CCC1=CN=C(C)C=C1 18256 [1,0,0,0,0,0|2,0,0]=3 74 B9R1.1 CCC1=NC=C(Br)C=C1 16886 [1,0,0,0,0,0|3,0,0]=4 75 B9R1.1 CCC1=NC=C(N)C=C1 25855 [1,0,0,0,0,0|3,0,0]=4 76 B9R1.1 CCc1ccc(F)cc1 22752 [1,0,0,0,0,0|2,0,0]=3 77 B9R1.1 CNC1=CC=C(Cl)C=C1 23344 [1,0,0,0,0,0|2,0,0]=3 78 B9R1.1 CNC1=CC=C(I)C=C1 28328 [1,0,0,0,0,0|2,0,0]=3 79 B9R1.1 CNC1=NC=C(Br)C=C1 22084 [1,0,0,0,0,0|3,0,0]=4 80 B9R1.1 COC1=CC=C(Br)C=C1 3726 [1,0,0,0,0,0|1,0,0]=2 81 B9R1.1 COC1=CC=C(C)N=C1 6640 [1,0,0,0,0,0|1,0,0]=2 82 B9R1.1 COC1=CC=C(Cl)C=C1 3616 [1,0,0,0,0,0|1,0,0]=2 83 B9R1.1 COC1=CC=C(F)C=C1 3475 [1,0,0,0,0,0|1,0,0]=2 84 B9R1.1 COC1=CC=C(I)C=C1 3911 [1,0,0,0,0,0|1,0,0]=2 85 B9R1.1 COC1=CC=C(N)C=C1 21392 [1,0,0,0,0,0|1,0,0]=2 86 B9R1.1 COC1=CC=C(N)C=C1 36098 [1,0,0,0,0,0|1,0,0]=2 87 B9R1.1 COC1=CC=C(N)N=N1 9536 [1,0,0,0,0,0|3,0,0]=4 88 B9R1.1 COC1=CC=C(O)C=C1 14584 [1,0,0,0,0,0|0,0,0]=1 89 B9R1.1 COC1=CC=C(O)C=C1 2276 [1,0,0,0,0,0|0,0,0]=1 90 B9R1.1 COC1=CC=C(S)C=C1 6822 [1,0,0,0,0,0|0,1,0]=2 91 B9R1.1 COC1=CC=[N+]([O-])C=C1 2587 [1,0,0,0,0,0|1,0,1]=3 92 B9R1.1 COC1=CN=C(Br)C=C1 15210 [1,0,0,0,0,0|2,0,0]=3 93 B9R1.1 COC1=CN=C(Br)C=N1 27287 [1,0,0,0,0,0|3,0,0]=4 94 B9R1.1 COC1=CN=C(Br)N=C1 26980 [1,0,0,0,0,0|3,0,0]=4 95 B9R1.1 COC1=CN=C(Cl)C=C1 6222 [1,0,0,0,0,0|2,0,0]=3 96 B9R1.1 COC1=CN=C(Cl)C=N1 32145 [1,0,0,0,0,0|3,0,0]=4 97 B9R1.1 COC1=CN=C(Cl)N=C1 13187 [1,0,0,0,0,0|3,0,0]=4 98 B9R1.1 COC1=CN=C(F)C=C1 33665 [1,0,0,0,0,0|2,0,0]=3 99 B9R1.1 COC1=CN=C(N)C=C1 23280 [1,0,0,0,0,0|2,0,0]=3 100 B9R1.1 COC1=CN=C(N)C=N1 17505 [1,0,0,0,0,0|3,0,0]=4 101 B9R1.1 COC1=CN=C(N)N=C1 20801 [1,0,0,0,0,0|3,0,0]=4 102 B9R1.1 COC1=NC=C(Br)C=C1 2408 [1,0,0,0,0,0|2,0,0]=3 103 B9R1.1 COC1=NC=C(Br)C=N1 5264 [1,0,0,0,0,0|3,0,0]=4 104 B9R1.1 COC1=NC=C(C)C=C1 6609 [1,0,0,0,0,0|1,0,0]=2 105 B9R1.1 COC1=NC=C(Cl)C=C1 6602 [1,0,0,0,0,0|2,0,0]=3 106 B9R1.1 COC1=NC=C(F)C=C1 11248 [1,0,0,0,0,0|2,0,0]=3 107 B9R1.1 COC1=NC=C(I)C=C1 6606 [1,0,0,0,0,0|2,0,0]=3 108 B9R1.1 COC1=NC=C(N)C=C1 1270 [1,0,0,0,0,0|2,0,0]=3 109 B9R1.1 COC1=NC=C(O)C=C1 16171 [1,0,0,0,0,0|1,0,0]=2 110 B9R1.1 CSC1=CC=C(Br)C=C1 10650 [1,0,0,0,0,0|1,1,0]=3 111 B9R1.1 CSC1=CC=C(C)C=C1 10672 [1,0,0,0,0,0|0,1,0]=2 112 B9R1.1 CSC1=CC=C(Cl)C=C1 10645 [1,0,0,0,0,0|1,1,0]=3 113 B9R1.1 CSC1=CC=C(F)C=C1 10641 [1,0,0,0,0,0|1,1,0]=3 114 B9R1.1 CSC1=CC=C(I)C=C1 10670 [1,0,0,0,0,0|1,1,0]=3 115 B9R1.1 CSC1=CC=C(N)C=C1 10636 [1,0,0,0,0,0|1,1,0]=3 116 B9R1.1 CSC1=CC=C(O)C=C1 15277 [1,0,0,0,0,0|0,1,0]=2 117 B9R1.1 CSC1=CC=C(S)C=C1 6825 [1,0,0,0,0,0|0,2,0]=3 118 B9R1.1 ClC1=CC=C(CBr)C=C1 36109 [1,0,0,0,0,0|2,0,0]=3 119 B9R1.1 ClC1=CC=C([Mg]Br)C=C1 24069 [1,0,0,0,0,0|3,0,0]=4 120 B9R1.1 ClCC1=CC=C(Br)C=C1 2478 [1,0,0,0,0,0|2,0,0]=3 121 B9R1.1 ClCC1=CC=C(Cl)C=C1 5797 [1,0,0,0,0,0|2,0,0]=3 122 B9R1.1 ClCC1=CN=C(Cl)C=C1 9210 [1,0,0,0,0,0|3,0,0]=4 123 B9R1.1 ClCC1=NC=C(Cl)C=C1 24106 [1,0,0,0,0,0|3,0,0]=4 124 B9R1.1 FC1=CC=C(CBr)C=C1 7354 [1,0,0,0,0,0|2,0,0]=3 125 B9R1.1 FC1=CC=C(CCl)C=C1 8864 [1,0,0,0,0,0|2,0,0]=3 126 B9R1.1 FC1=CC=C(CS)C=C1 6855 [1,0,0,0,0,0|1,1,0]=3 127 B9R1.1 N#CC1=CC=C(Br)C=C1 3745 [1,0,0,0,0,0|2,0,1]=4 128 B9R1.1 N#CC1=CC=C(Cl)C=C1 20405 [1,0,0,0,0,0|2,0,1]=4 129 B9R1.1 N#CC1=CC=C(F)C=C1 1585 [1,0,0,0,0,0|2,0,1]=4 130 B9R1.1 N#CC1=CC=C(I)C=C1 3936 [1,0,0,0,0,0|2,0,1]=4 131 B9R1.1 N#CC1=CC=C(N)C=C1 15683 [1,0,0,0,0,0|2,0,1]=4 132 B9R1.1 N#CC1=CN=C(O)C=C1 18529 [1,0,0,0,0,0|2,0,1]=4 133 B9R1.1 N#CC1=NC=C(O)C=C1 17605 [1,0,0,0,0,0|2,0,1]=4 134 B9R1.1 NC1=CC=C(C=O)C=C1 7795 [1,0,0,0,0,0|1,0,2]=4 135 B9R1.1 NC1=CC=C(CBr)C=C1 26393 [1,0,0,0,0,0|2,0,0]=3 136 B9R1.1 NC1=CC=C(CO)C=C1 7480 [1,0,0,0,0,0|1,0,0]=2 137 B9R1.1 NC1=CC=C(CO)C=N1 18913 [1,0,0,0,0,0|2,0,0]=3 138 B9R1.1 NCC1=CC=C(Br)C=C1 23806 [1,0,0,0,0,0|2,0,0]=3 139 B9R1.1 NCC1=CC=C(Br)C=C1 3751 [1,0,0,0,0,0|2,0,0]=3 140 B9R1.1 NCC1=CC=C(Cl)C=C1 9028 [1,0,0,0,0,0|2,0,0]=3 141 B9R1.1 NCC1=CC=C(Cl)N=C1 24215 [1,0,0,0,0,0|3,0,0]=4 142 B9R1.1 NCC1=CC=C(F)C=C1 3408 [1,0,0,0,0,0|2,0,0]=3 143 B9R1.1 NCC1=CC=C(F)C=C1 4420 [1,0,0,0,0,0|2,0,0]=3 144 B9R1.1 NCC1=CC=C(I)C=C1 3304 [1,0,0,0,0,0|2,0,0]=3 145 B9R1.1 NCC1=CC=C(N)C=C1 5803 [1,0,0,0,0,0|2,0,0]=3 146 B9R1.1 NCC1=CC=C(O)C=C1 26036 [1,0,0,0,0,0|1,0,0]=2 147 B9R1.1 NCC1=CN=C(Cl)C=C1 1255 [1,0,0,0,0,0|3,0,0]=4 148 B9R1.1 NCC1=CN=C(Cl)C=C1 15212 [1,0,0,0,0,0|3,0,0]=4 149 B9R1.1 NCC1=CNC(=O)C=C1 19427 [1,0,0,0,0,0|2,0,1]=4 150 B9R1.1 NCC1=NC=C(Br)C=C1 29009 [1,0,0,0,0,0|3,0,0]=4 151 B9R1.1 NNC1=CC=C(Br)C=C1 21916 [1,0,0,0,0,0|3,0,0]=4 152 B9R1.1 NNC1=CC=C(Br)C=C1 6409 [1,0,0,0,0,0|3,0,0]=4 153 B9R1.1 NNC1=CC=C(Cl)C=C1 23899 [1,0,0,0,0,0|3,0,0]=4 154 B9R1.1 NNC1=CC=C(Cl)C=C1 4483 [1,0,0,0,0,0|3,0,0]=4 155 B9R1.1 NNC1=CC=C(F)C=C1 15913 [1,0,0,0,0,0|3,0,0]=4 156 B9R1.1 NNC1=CC=C(F)C=C1 3330 [1,0,0,0,0,0|3,0,0]=4 157 B9R1.1 NNC1=CC=C(I)C=C1 15797 [1,0,0,0,0,0|3,0,0]=4 158 B9R1.1 O=CC1=CC=C(Br)C=C1 8053 [1,0,0,0,0,0|1,0,2]=4 159 B9R1.1 O=CC1=CC=C(Cl)C=C1 8078 [1,0,0,0,0,0|1,0,2]=4 160 B9R1.1 O=CC1=CC=C(F)C=C1 3478 [1,0,0,0,0,0|1,0,2]=4 161 B9R1.1 O=CC1=CC=C(I)C=C1 5349 [1,0,0,0,0,0|1,0,2]=4 162 B9R1.1 O=CC1=CC=C(O)C=C1 10188 [1,0,0,0,0,0|0,0,2]=3 163 B9R1.1 O=CC1=CN=C(O)C=C1 17127 [1,0,0,0,0,0|1,0,2]=4 164 B9R1.1 O=CC1=NC=C(O)C=C1 33708 [1,0,0,0,0,0|1,0,2]=4 165 B9R1.1 OCC1=CC=C(Br)C=C1 3748 [1,0,0,0,0,0|1,0,0]=2 166 B9R1.1 OCC1=CC=C(Cl)C=C1 3627 [1,0,0,0,0,0|1,0,0]=2 167 B9R1.1 OCC1=CC=C(F)C=C1 3487 [1,0,0,0,0,0|1,0,0]=2 168 B9R1.1 OCC1=CC=C(F)N=C1 17062 [1,0,0,0,0,0|2,0,0]=3 169 B9R1.1 OCC1=CC=C(I)C=C1 4081 [1,0,0,0,0,0|1,0,0]=2 170 B9R1.1 OCC1=CC=C(O)C=C1 29320 [1,0,0,0,0,0|0,0,0]=1 171 B9R1.1 OCC1=CC=C(S)C=C1 6879 [1,0,0,0,0,0|0,1,0]=2 172 B9R1.1 OCC1=CN=C(Cl)C=C1 12920 [1,0,0,0,0,0|2,0,0]=3 173 B9R1.1 OCC1=NC=C(Br)C=C1 12387 [1,0,0,0,0,0|2,0,0]=3 174 B9R1.1 OCC1=NC=C(Br)C=C1 14780 [1,0,0,0,0,0|2,0,0]=3 175 B9R1.1 OCC1=NC=C(Br)C=C1 7710 [1,0,0,0,0,0|2,0,0]=3 176 B9R1.1 OCC1=NC=C(Cl)N=C1 23492 [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|1,1,0]=3 178 B9R1.1 SCC1=CC=C(Cl)C=C1 6838 [1,0,0,0,0,0|1,1,0]=3 179 B11R1.3 C#CC1=CC=C(B(O)O)C=C1 33845 [0,1,0,0,0,0|2,0,1]=4 180 B11R1.3 C#CC1=CC=C(C(=O)O)C=C1 30393 [0,1,0,0,0,0|1,0,2]=4 181 B11R1.3 C=C(C)C1=CC=C(OC)C=C1 20531 [0,1,0,0,0,0|1,0,1]=3 182 B11R1.3 C=CC1=CC=C(B(O)O)C=C1 26297 [0,1,0,0,0,0|2,0,1]=4 183 B11R1.3 C=CC1=CC=C(C(=O)O)C=C1 12624 [0,1,0,0,0,0|1,0,2]=4 184 B11R1.3 CC(=O)C1=CC=C(C#N)C=C1 3305 [0,1,0,0,0,0|2,0,1]=4 185 B11R1.3 CC(=O)C1=CC=C(C=O)C=C1 23568 [0,1,0,0,0,0|1,0,2]=4 186 B11R1.3 CC(=O)C1=CC=C(CBr)C=C1 31192 [0,1,0,0,0,0|2,0,0]=3 187 B11R1.3 CC(=O)C1=CC=C(CO)C=C1 31334 [0,1,0,0,0,0|1,0,0]=2 188 B11R1.3 CC(C)C1=CC=C(NN)C=C1 7533 [0,1,0,0,0,0|3,0,0]=4 189 B11R1.3 CCC1=CC=C(B(O)O)C=C1 7884 [0,1,0,0,0,0|2,0,0]=3 190 B11R1.3 CCC1=CC=C(B(O)O)C=N1 33743 [0,1,0,0,0,0|3,0,0]=4 191 B11R1.3 CCC1=CC=C(C(=O)Cl)C=C1 9725 [0,1,0,0,0,0|1,0,2]=4 192 B11R1.3 CCC1=CC=C(C(C)=O)C=C1 15495 [0,1,0,0,0,0|2,0,0]=3 193 B11R1.3 CCC1=CN=C(C(=O)O)C=C1 27848 [0,1,0,0,0,0|2,0,1]=4 194 B11R1.3 CN(C)C1=CC=C(C=O)C=C1 8085 [0,1,0,0,0,0|1,0,2]=4 195 B11R1.3 CN(C)C1=CC=C(CO)C=C1 36061 [0,1,0,0,0,0|1,0,0]=2 196 B11R1.3 CN(C)C1=NC=C(CN)C=C1 34770 [0,1,0,0,0,0|3,0,0]=4 197 B11R1.3 CNC1=CC=C(C(=O)O)C=C1 4517 [0,1,0,0,0,0|1,0,1]=3 198 B11R1.3 CNC1=CC=C([N+](=O)[O-])C=C1 21650 [0,1,0,0,0,0|2,0,1]=4 199 B11R1.3 COC1=CC=C(B(O)O)C=C1 15445 [0,1,0,0,0,0|1,0,0]=2 200 B11R1.3 COC1=CC=C(B(O)O)C=C1 1867 [0,1,0,0,0,0|1,0,0]=2 201 B11R1.3 COC1=CC=C(C(=O)Cl)C=C1 9808 [0,1,0,0,0,0|0,0,2]=3 202 B11R1.3 COC1=CC=C(C(=O)O)C=C1 23856 [0,1,0,0,0,0|0,0,1]=2 203 B11R1.3 COC1=CC=C(C(C)=O)C=C1 3324 [0,1,0,0,0,0|0,0,2]=3 204 B11R1.3 COC1=CC=C(C(N)=S)C=C1 13558 [0,1,0,0,0,0|0,1,1]=3 205 B11R1.3 COC1=CC=C(N(C)C)C=C1 16956 [0,1,0,0,0,0|2,0,0]=3 206 B11R1.3 COC1=CN=C(C(=O)O)C=C1 15176 [0,1,0,0,0,0|1,0,1]=3 207 B11R1.3 COC1=CN=C(C(=O)O)C=N1 32117 [0,1,0,0,0,0|2,0,1]=4 208 B11R1.3 COC1=NC=C(B(O)O)C=C1 5047 [0,1,0,0,0,0|2,0,0]=3 209 B11R1.3 COC1=NC=C(B(O)O)C=N1 11270 [0,1,0,0,0,0|3,0,0]=4 210 B11R1.3 COC1=NC=C(C(=O)O)C=C1 15177 [0,1,0,0,0,0|1,0,1]=3 211 B11R1.3 COC1=NC=C(C(C)=O)C=C1 16770 [0,1,0,0,0,0|1,0,2]=4 212 B11R1.3 COC1=NC=C([N+](=O)[O-])C=C1 1207 [0,1,0,0,0,0|2,0,1]=4 213 B11R1.3 COc1ccc([C@@H](C)N)cc1 9920 [0,1,0,0,0,0|1,0,0]=2 214 B11R1.3 COc1ccc([C@H](C)N)cc1 9919 [0,1,0,0,0,0|1,0,0]=2 215 B11R1.3 CSC1=CC=C(B(O)O)C=C1 9544 [0,1,0,0,0,0|1,1,0]=3 216 B11R1.3 CSC1=CC=C(C(C)=O)C=C1 3333 [0,1,0,0,0,0|0,1,2]=4 217 B11R1.3 CSC1=CC=C([N+](=O)[O-])C=C1 10631 [0,1,0,0,0,0|1,1,1]=4 218 B11R1.3 ClCC1=CC=C(C(Cl)Cl)C=C1 31325 [0,1,0,0,0,0|3,0,0]=4 219 B11R1.3 N#CC1=CC=C(B(O)O)C=C1 1809 [0,1,0,0,0,0|3,0,0]=4 220 B11R1.3 N#CC1=CC=C(C(=O)O)C=C1 19745 [0,1,0,0,0,0|2,0,1]=4 221 B11R1.3 NC(=O)C1=CC=C(CBr)C=C1 34552 [0,1,0,0,0,0|3,0,0]=4 222 B11R1.3 NCC1=CC=C(B(O)O)C=C1 5251 [0,1,0,0,0,0|3,0,0]=4 223 B11R1.3 NCC1=CC=C(B(O)O)C=C1 7897 [0,1,0,0,0,0|3,0,0]=4 224 B11R1.3 NCC1=CC=C(C(=O)O)C=C1 5815 [0,1,0,0,0,0|2,0,1]=4 225 B11R1.3 NCC1=CC=C([N+](=O)[O-])C=C1 12455 [0,1,0,0,0,0|3,0,0]=4 226 B11R1.3 NNC1=CC=C(C(=O)O)C=C1 7535 [0,1,0,0,0,0|2,0,1]=4 227 B11R1.3 NNC1=CC=C(C(=O)O)C=C1 7572 [0,1,0,0,0,0|2,0,1]=4 228 B11R1.3 NOC1=CC=C([N+](=O)[O-])C=C1 14778 [0,1,0,0,0,0|2,0,1]=4 229 B11R1.3 O=C(O)C1=CC=C(CBr)C=C1 28146 [0,1,0,0,0,0|2,0,1]=4 230 B11R1.3 O=C(O)C1=CC=C(CCl)C=C1 15446 [0,1,0,0,0,0|2,0,1]=4 231 B11R1.3 O=C(O)C1=CC=C(CO)C=C1 12790 [0,1,0,0,0,0|2,0,0]=3 232 B11R1.3 O=CC1=CC=C(B(O)O)C=C1 1720 [0,1,0,0,0,0|3,0,0]=4 233 B11R1.3 O=CC1=CC=C(C(=O)O)C=C1 8075 [0,1,0,0,0,0|2,0,1]=4 234 B11R1.3 O=[N+]([O-])C1=CC=C(CBr)C=C1 7473 [0,1,0,0,0,0|3,0,0]=4 235 B11R1.3 O=[N+]([O-])C1=CC=C(CCl)C=C1 7476 [0,1,0,0,0,0|3,0,0]=4 236 B11R1.3 O=[N+]([O-])C1=CC=C(CO)C=C1 7472 [0,1,0,0,0,0|2,0,0]=3 237 B11R1.3 OB(O)C1=CC=C(CBr)C=C1 7903 [0,1,0,0,0,0|3,0,0]=4 238 B11R1.3 OB(O)C1=CC=C(CCl)C=C1 8937 [0,1,0,0,0,0|3,0,0]=4 239 B11R1.3 OCC1=CC=C(B(O)O)C=C1 1726 [0,1,0,0,0,0|2,0,0]=3 240 B11R1.3 [C-]#[N+]C1=CC=C([C@@H](C)O)C=C1 14238 [0,1,0,0,0,0|1,0,1]=3 241 B11R1.3 [C-]#[N+]C1=CC=C([C@H](C)O)C=C1 14243 [0,1,0,0,0,0|1,0,1]=3 242 B11R1.83 C#CC1=CC=C(CCC)C=C1 10973 [0,1,0,0,0,0|2,0,1]=4 243 B11R1.83 CCC1=CN=C(CCO)C=C1 16511 [0,1,0,0,0,0|2,0,0]=3 244 B11R1.83 CCOC1=CC=C(C=O)C=C1 13134 [0,1,0,0,0,0|0,0,2]=3 245 B11R1.83 CCOC1=CC=C(CC)C=C1 3172 [0,1,0,0,0,0|1,0,0]=2 246 B11R1.83 CCOC1=CC=C(CCl)C=C1 17445 [0,1,0,0,0,0|1,0,0]=2 247 B11R1.83 CCOC1=CC=C(CO)C=C1 27464 [0,1,0,0,0,0|0,0,0]=1 248 B11R1.83 CNCC1=CC=C(OC)C=C1 10499 [0,1,0,0,0,0|1,0,0]=2 249 B11R1.83 COC1=CC=C(CC#N)C=C1 20331 [0,1,0,0,0,0|1,0,0]=2 250 B11R1.83 COC1=CC=C(CC=O)C=C1 25207 [0,1,0,0,0,0|0,0,1]=2 251 B11R1.83 COC1=CC=C(CCN)C=C1 4589 [0,1,0,0,0,0|1,0,0]=2 252 B11R1.83 COC1=CC=C(N=C=O)C=C1 1920 [0,1,0,0,0,0|0,0,2]=3 253 B11R1.83 COC1=CC=C(OC#N)C=C1 20087 [0,1,0,0,0,0|1,0,1]=3 254 B11R1.83 CSC1=CC=C(CC#N)C=C1 10715 [0,1,0,0,0,0|1,1,0]=3 255 B11R1.83 C\C=C\C1=CC=C(OC)C=C1 35689 [0,1,0,0,0,0|1,0,1]=3 256 B11R1.83 N#CC1=CC=C(CCN)C=C1 31896 [0,1,0,0,0,0|2,0,1]=4 257 B11R1.83 N#CC1=CC=C(CCN)C=C1 31898 [0,1,0,0,0,0|2,0,1]=4 258 B11R1.279 COC1=C(Br)C=C(C#N)C=C1 3795 [0,1,0,0,0,0|1,0,1]=3 259 B11R1.279 COC1=C(Br)C=C(C=O)C=C1 2643 [0,1,0,0,0,0|0,0,2]=3 260 B11R1.279 COC1=C(Br)N=C(CO)C=C1 26737 [0,1,0,0,0,0|1,0,0]=2 261 B11R1.279 COC1=C(C)C=C(C=O)C=C1 14879 [0,1,0,0,0,0|0,0,2]=3 262 B11R1.279 COC1=C(C)C=C(CO)C=C1 24130 [0,1,0,0,0,0|0,0,0]=1 263 B11R1.279 COC1=C(Cl)C=C(C#N)C=C1 3661 [0,1,0,0,0,0|1,0,1]=3 264 B11R1.279 COC1=C(Cl)C=C(C=O)C=C1 2638 [0,1,0,0,0,0|0,0,2]=3 265 B11R1.279 COC1=C(Cl)C=C(CBr)C=C1 31299 [0,1,0,0,0,0|1,0,0]=2 266 B11R1.279 COC1=C(Cl)C=C(NN)C=C1 35436 [0,1,0,0,0,0|2,0,0]=3 267 B11R1.279 COC1=C(F)C=C(C#N)C=C1 18462 [0,1,0,0,0,0|1,0,1]=3 268 B11R1.279 COC1=C(F)C=C(C=O)C=C1 1448 [0,1,0,0,0,0|0,0,2]=3 269 B11R1.279 COC1=C(F)C=C(CBr)C=C1 4923 [0,1,0,0,0,0|1,0,0]=2 270 B11R1.279 COC1=C(N)C=C(C=O)C=C1 19765 [0,1,0,0,0,0|0,0,2]=3 271 B11R1.279 COC1=C(O)C=C(C#N)C=C1 4806 [0,1,0,0,0,0|1,0,1]=3 272 B11R1.279 COC1=C(O)C=C(C=O)C=C1 7770 [0,1,0,0,0,0|0,0,2]=3 273 B11R1.279 COC1=C(O)C=C(CO)C=C1 15050 [0,1,0,0,0,0|0,0,0]=1 274 B11R1.279 COC1=CC(Br)=C(C#N)C=C1 30831 [0,1,0,0,0,0|1,0,1]=3 275 B11R1.279 COC1=CC(Br)=C(C=O)C=C1 12556 [0,1,0,0,0,0|0,0,2]=3 276 B11R1.279 COC1=CC(Br)=C(CBr)C=C1 31331 [0,1,0,0,0,0|1,0,0]=2 277 B11R1.279 COC1=CC(Br)=C(OC)C=C1 19785 [0,1,0,0,0,0|2,0,0]=3 278 B11R1.279 COC1=CC(C)=C(C#N)C=C1 25451 [0,1,0,0,0,0|1,0,1]=3 279 B11R1.279 COC1=CC(C)=C(C=O)C=C1 30912 [0,1,0,0,0,0|0,0,2]=3 280 B11R1.279 COC1=CC(C)=C(OC)C=C1 4543 [0,1,0,0,0,0|2,0,0]=3 281 B11R1.279 COC1=CC(Cl)=C(C#N)C=C1 4729 [0,1,0,0,0,0|1,0,1]=3 282 B11R1.279 COC1=CC(Cl)=C(C=O)C=C1 27587 [0,1,0,0,0,0|0,0,2]=3 283 B11R1.279 COC1=CC(Cl)=C(C=O)C=C1 30888 [0,1,0,0,0,0|0,0,2]=3 284 B11R1.279 COC1=CC(Cl)=C(CBr)C=C1 31270 [0,1,0,0,0,0|1,0,0]=2 285 B11R1.279 COC1=CC(F)=C(C#N)C=C1 4783 [0,1,0,0,0,0|1,0,1]=3 286 B11R1.279 COC1=CC(F)=C(C=O)C=C1 1447 [0,1,0,0,0,0|0,0,2]=3 287 B11R1.279 COC1=CC(F)=C(CBr)C=C1 24293 [0,1,0,0,0,0|1,0,0]=2 288 B11R1.279 COC1=CC(F)=C(CCl)C=C1 25838 [0,1,0,0,0,0|1,0,0]=2 289 B11R1.279 COC1=CC(F)=C(CO)C=C1 7733 [0,1,0,0,0,0|0,0,0]=1 290 B11R1.279 COC1=CC(F)=C(NN)C=C1 11269 [0,1,0,0,0,0|2,0,0]=3 291 B11R1.279 COC1=CC(F)=C(OC)C=C1 3050 [0,1,0,0,0,0|2,0,0]=3 292 B11R1.279 COC1=CC(I)=C(C#N)C=C1 27647 [0,1,0,0,0,0|1,0,1]=3 293 B11R1.279 COC1=CC(N)=C(C#N)C=C1 30767 [0,1,0,0,0,0|1,0,1]=3 294 B11R1.279 COC1=CC(N)=C(OC)C=C1 25396 [0,1,0,0,0,0|2,0,0]=3 295 B11R1.279 COC1=CC(O)=C(C#N)C=C1 22496 [0,1,0,0,0,0|1,0,1]=3 296 B11R1.279 COC1=CC(O)=C(OC)C=C1 27372 [0,1,0,0,0,0|2,0,0]=3 297 B11R1.279 COC1=CC(S)=C(OC)C=C1 6852 [0,1,0,0,0,0|2,0,0]=3 298 B11R1.279 COC1=CC=C(C=O)C(O)=C1 8148 [0,1,0,0,0,0|0,0,2]=3 299 B11R1.279 COC1=NC(F)=C(C=O)C=C1 27963 [0,1,0,0,0,0|1,0,2]=4 300 B11R1.279 COC1=NC=C(C=O)C=C1Cl 17090 [0,1,0,0,0,0|1,0,2]=4 301 B11R1.279 COc1ccc(CN)cc1F 31259 [0,1,0,0,0,0|1,0,0]=2 302 B11R1.279 N#CC1=C(Br)C=C(CBr)C=C1 24598 [0,1,0,0,0,0|3,0,0]=4 303 B11R1.279 N#CC1=C(F)C=C(CN)C=C1 16569 [0,1,0,0,0,0|3,0,0]=4 304 B11R1.279 N#CC1=C(F)C=C(CO)C=C1 31301 [0,1,0,0,0,0|2,0,0]=3 305 B11R1.279 N#CC1=CC(Br)=C(CBr)C=C1 31339 [0,1,0,0,0,0|3,0,0]=4 306 B11R1.279 N#CC1=CC(Br)=C(CO)C=C1 31356 [0,1,0,0,0,0|2,0,0]=3 307 B11R1.279 N#CC1=CC(Cl)=C(CO)C=C1 31319 [0,1,0,0,0,0|2,0,0]=3 308 B11R1.279 N#CC1=CC(F)=C(CBr)C=C1 4907 [0,1,0,0,0,0|3,0,0]=4 309 B11R1.279 N#CC1=CC(F)=C(CO)C=C1 11157 [0,1,0,0,0,0|2,0,0]=3 310 B11R1.279 N#CC1=CC(I)=C(CBr)C=C1 27453 [0,1,0,0,0,0|3,0,0]=4 311 B11R2.190 C=CC1=CC=C2CCC2=C1 35204 [0,0,0,1,0,0|2,0,1]=4 312 B9R1.21 O=CC1=CC=C(CO)O1 35936 [0,0,0,0,1,0|3,0,0]=4 313 B9R1.21 OCC1=CC=C(CO)O1 19995 [0,0,0,0,1,0|3,0,0]=4 314 B8R1.2 BrCC1=CC=CC=C1 13143 [2,0,0,0,0,0|1,0,0]=3 315 B8R1.2 BrCC1=CC=CN=C1 17664 [2,0,0,0,0,0|2,0,0]=4 316 B8R1.2 C#CC1=CC=CC=C1 15340 [2,0,0,0,0,0|1,0,1]=4 317 B8R1.2 CNC1=CC=CN=C1 14983 [2,0,0,0,0,0|2,0,0]=4 318 B8R1.2 CNC1=CC=NC=C1 12915 [2,0,0,0,0,0|2,0,0]=4 319 B8R1.2 COC1=CC=CC=C1 12830 [2,0,0,0,0,0|0,0,0]=2 320 B8R1.2 COC1=CC=CC=C1 17272 [2,0,0,0,0,0|0,0,0]=2 321 B8R1.2 COC1=CC=CN=C1 15370 [2,0,0,0,0,0|1,0,0]=3 322 B8R1.2 COC1=CC=NC=C1 2585 [2,0,0,0,0,0|1,0,0]=3 323 B8R1.2 COC1=CN=CN=C1 25073 [2,0,0,0,0,0|2,0,0]=4 324 B8R1.2 COC1=NC=CC=C1 13201 [2,0,0,0,0,0|1,0,0]=3 325 B8R1.2 COC1=NC=CN=C1 8605 [2,0,0,0,0,0|2,0,0]=4 326 B8R1.2 COC1=NC=NC=C1 21029 [2,0,0,0,0,0|2,0,0]=4 327 B8R1.2 CSC1=CC=CC=C1 10578 [2,0,0,0,0,0|0,1,0]=3 328 B8R1.2 CSC1=NC=CC=C1 35938 [2,0,0,0,0,0|1,1,0]=4 329 B8R1.2 ClCC1=CC=CN=C1 9217 [2,0,0,0,0,0|2,0,0]=4 330 B8R1.2 ClCC1=CC=NC=C1 15905 [2,0,0,0,0,0|2,0,0]=4 331 B8R1.2 ClCC1=NC=CC=C1 16732 [2,0,0,0,0,0|2,0,0]=4 332 B8R1.2 ClCC1=NC=CC=C1 36036 [2,0,0,0,0,0|2,0,0]=4 333 B8R1.2 N#Cc1ccccc1 25507 [2,0,0,0,0,0|1,0,1]=4 334 B8R1.2 NCC1=CC=CC=C1 25530 [2,0,0,0,0,0|1,0,0]=3 335 B8R1.2 NCC1=CC=CN=C1 11140 [2,0,0,0,0,0|2,0,0]=4 336 B8R1.2 NCC1=CC=NC=C1 12407 [2,0,0,0,0,0|2,0,0]=4 337 B8R1.2 NCC1=NC=CC=C1 11142 [2,0,0,0,0,0|2,0,0]=4 338 B8R1.2 NNC1=CC=CC=C1 22925 [2,0,0,0,0,0|2,0,0]=4 339 B8R1.2 OCC1=CC=CN=C1 11736 [2,0,0,0,0,0|1,0,0]=3 340 B8R1.2 OCC1=CC=NC=C1 11738 [2,0,0,0,0,0|1,0,0]=3 341 B8R1.2 OCC1=CN=CN=C1 9758 [2,0,0,0,0,0|2,0,0]=4 342 B8R1.2 OCC1=NC=CC=C1 9301 [2,0,0,0,0,0|1,0,0]=3 343 B8R1.2 OCC1=NC=CC=N1 9757 [2,0,0,0,0,0|2,0,0]=4 344 B8R1.2 OCC1=NC=CN=C1 32128 [2,0,0,0,0,0|2,0,0]=4 345 B8R1.2 OCC1=NC=NC=C1 9756 [2,0,0,0,0,0|2,0,0]=4 346 B8R1.2 SCC1=CC=CC=C1 6835 [2,0,0,0,0,0|0,1,0]=3 347 B8R1.2 SCC1=CC=CN=C1 25049 [2,0,0,0,0,0|1,1,0]=4 348 B8R1.2 SCC1=CC=NC=C1 25053 [2,0,0,0,0,0|1,1,0]=4 349 B8R1.2 SCC1=NC=CC=C1 25013 [2,0,0,0,0,0|1,1,0]=4 350 B8R1.3 BrC1=CC=C(Br)C=C1 10875 [2,0,0,0,0,0|2,0,0]=4 351 B8R1.3 BrC1=CC=C(I)C=C1 27467 [2,0,0,0,0,0|2,0,0]=4 352 B8R1.3 BrC1=CC=C(I)C=C1 3786 [2,0,0,0,0,0|2,0,0]=4 353 B8R1.3 CC1=CC=C(Br)C=C1 21011 [2,0,0,0,0,0|1,0,0]=3 354 B8R1.3 CC1=CC=C(C)N=N1 20402 [2,0,0,0,0,0|2,0,0]=4 355 B8R1.3 CC1=CC=C(Cl)C=C1 19750 [2,0,0,0,0,0|1,0,0]=3 356 B8R1.3 CC1=CC=C(F)C=C1 12887 [2,0,0,0,0,0|1,0,0]=3 357 B8R1.3 CC1=CC=C(I)C=C1 4548 [2,0,0,0,0,0|1,0,0]=3 358 B8R1.3 CC1=CC=C(O)C=C1 23326 [2,0,0,0,0,0|0,0,0]=2 359 B8R1.3 CC1=CC=C(S)C=C1 6809 [2,0,0,0,0,0|0,1,0]=3 360 B8R1.3 CC1=CN=C(Br)C=C1 1185 [2,0,0,0,0,0|2,0,0]=4 361 B8R1.3 CC1=CN=C(C)C=C1 20994 [2,0,0,0,0,0|1,0,0]=3 362 B8R1.3 CC1=CN=C(C)C=N1 8608 [2,0,0,0,0,0|2,0,0]=4 363 B8R1.3 CC1=CN=C(Cl)C=C1 1193 [2,0,0,0,0,0|2,0,0]=4 364 B8R1.3 CC1=CN=C(F)C=C1 4059 [2,0,0,0,0,0|2,0,0]=4 365 B8R1.3 CC1=CN=C(N)C=C1 1159 [2,0,0,0,0,0|2,0,0]=4 366 B8R1.3 CC1=CN=C(O)C=C1 14321 [2,0,0,0,0,0|1,0,0]=3 367 B8R1.3 CC1=CN=C(O)C=C1 27251 [2,0,0,0,0,0|1,0,0]=3 368 B8R1.3 CC1=NC=C(Br)C=C1 4058 [2,0,0,0,0,0|2,0,0]=4 369 B8R1.3 CC1=NC=C(Cl)C=C1 6694 [2,0,0,0,0,0|2,0,0]=4 370 B8R1.3 CC1=NC=C(F)C=C1 2224 [2,0,0,0,0,0|2,0,0]=4 371 B8R1.3 CC1=NC=C(I)C=C1 6698 [2,0,0,0,0,0|2,0,0]=4 372 B8R1.3 CC1=NC=C(N)C=C1 1280 [2,0,0,0,0,0|2,0,0]=4 373 B8R1.3 CC1=NC=C(O)C=C1 6696 [2,0,0,0,0,0|1,0,0]=3 374 B8R1.3 CC1=NC=C(O)C=N1 21855 [2,0,0,0,0,0|2,0,0]=4 375 B8R1.3 ClC1=CC=C(Br)C=C1 10226 [2,0,0,0,0,0|2,0,0]=4 376 B8R1.3 ClC1=CC=C(I)C=C1 3648 [2,0,0,0,0,0|2,0,0]=4 377 B8R1.3 FC1=CC=C(Br)C=C1 2251 [2,0,0,0,0,0|2,0,0]=4 378 B8R1.3 FC1=CC=C(Cl)C=C1 3420 [2,0,0,0,0,0|2,0,0]=4 379 B8R1.3 FC1=CC=C(F)C=C1 2309 [2,0,0,0,0,0|2,0,0]=4 380 B8R1.3 FC1=CC=C(I)C=C1 2103 [2,0,0,0,0,0|2,0,0]=4 381 B8R1.3 FC1=CC=C(S)C=C1 5431 [2,0,0,0,0,0|1,1,0]=4 382 B8R1.3 IC1=CC=C(I)C=C1 3837 [2,0,0,0,0,0|2,0,0]=4 383 B8R1.3 NC1=CC=C(Br)C=C1 3724 [2,0,0,0,0,0|2,0,0]=4 384 B8R1.3 NC1=CC=C(Cl)C=C1 16666 [2,0,0,0,0,0|2,0,0]=4 385 B8R1.3 NC1=CC=C(F)C=C1 10782 [2,0,0,0,0,0|2,0,0]=4 386 B8R1.3 NC1=CC=C(F)C=C1 5246 [2,0,0,0,0,0|2,0,0]=4 387 B8R1.3 NC1=CC=C(I)C=C1 10572 [2,0,0,0,0,0|2,0,0]=4 388 B8R1.3 NC1=CC=C(N)C=C1 22180 [2,0,0,0,0,0|2,0,0]=4 389 B8R1.3 NC1=CC=C(O)C=C1 22199 [2,0,0,0,0,0|1,0,0]=3 390 B8R1.3 NC1=CC=C(S)C=C1 2471 [2,0,0,0,0,0|1,1,0]=4 391 B8R1.3 NC1=CN=C(O)C=C1 14125 [2,0,0,0,0,0|2,0,0]=4 392 B8R1.3 NC1=CN=C(O)C=C1 6563 [2,0,0,0,0,0|2,0,0]=4 393 B8R1.3 NC1=NC=C(O)C=C1 5754 [2,0,0,0,0,0|2,0,0]=4 394 B8R1.3 O=C1C=CC(=O)C=C1 14592 [2,0,0,0,0,0|0,0,2]=4 395 B8R1.3 OC1=CC=C(Br)C=C1 19708 [2,0,0,0,0,0|1,0,0]=3 396 B8R1.3 OC1=CC=C(Br)N=C1 24844 [2,0,0,0,0,0|2,0,0]=4 397 B8R1.3 OC1=CC=C(Cl)C=C1 22009 [2,0,0,0,0,0|1,0,0]=3 398 B8R1.3 OC1=CC=C(F)C=C1 2314 [2,0,0,0,0,0|1,0,0]=3 399 B8R1.3 OC1=CC=C(I)C=C1 3199 [2,0,0,0,0,0|1,0,0]=3 400 B8R1.3 OC1=CC=C(O)C=C1 9139 [2,0,0,0,0,0|0,0,0]=2 401 B8R1.3 OC1=CC=C(O)N=N1 15702 [2,0,0,0,0,0|2,0,0]=4 402 B8R1.3 OC1=CC=C(S)C=C1 2464 [2,0,0,0,0,0|0,1,0]=3 403 B8R1.3 OC1=CN=C(Br)C=C1 5967 [2,0,0,0,0,0|2,0,0]=4 404 B8R1.3 OC1=CN=C(Cl)C=C1 2410 [2,0,0,0,0,0|2,0,0]=4 405 B8R1.3 OC1=CN=C(F)C=C1 6321 [2,0,0,0,0,0|2,0,0]=4 406 B8R1.3 OC1=CN=C(O)C=C1 5522 [2,0,0,0,0,0|1,0,0]=3 407 B8R1.3 OC1=NC=C(Br)C=C1 1178 [2,0,0,0,0,0|2,0,0]=4 408 B8R1.3 OC1=NC=C(Cl)C=C1 1187 [2,0,0,0,0,0|2,0,0]=4 409 B8R1.3 OC1=NC=C(F)C=C1 6566 [2,0,0,0,0,0|2,0,0]=4 410 B8R1.3 OC1=NC=C(I)C=C1 6567 [2,0,0,0,0,0|2,0,0]=4 411 B8R1.3 SC1=CC=C(Br)C=C1 4043 [2,0,0,0,0,0|1,1,0]=4 412 B8R1.3 SC1=CC=C(Cl)C=C1 6790 [2,0,0,0,0,0|1,1,0]=4 413 B8R1.3 SC1=CC=C(S)C=C1 6866 [2,0,0,0,0,0|0,2,0]=4 414 B10R1.1 BrCCC1=CC=C(Br)C=C1 16698 [1,1,0,0,0,0|2,0,0]=4 415 B10R1.1 CC1=CC=C(CC#N)C=C1 28873 [1,1,0,0,0,0|1,0,0]=3 416 B10R1.1 CCCC1=CC=C(Br)C=C1 10762 [1,1,0,0,0,0|2,0,0]=4 417 B10R1.1 CCOC1=CC=C(Br)C=C1 3138 [1,1,0,0,0,0|1,0,0]=3 418 B10R1.1 CCOC1=CC=C(C)C=C1 3181 [1,1,0,0,0,0|0,0,0]=2 419 B10R1.1 CCOC1=CC=C(Cl)C=C1 3165 [1,1,0,0,0,0|1,0,0]=3 420 B10R1.1 CCOC1=CC=C(F)C=C1 3175 [1,1,0,0,0,0|1,0,0]=3 421 B10R1.1 CCOC1=CC=C(I)C=C1 3177 [1,1,0,0,0,0|1,0,0]=3 422 B10R1.1 CCOC1=CC=C(N)C=C1 9511 [1,1,0,0,0,0|1,0,0]=3 423 B10R1.1 CCOC1=CC=C(O)C=C1 9512 [1,1,0,0,0,0|0,0,0]=2 424 B10R1.1 CCOC1=CN=C(Br)C=C1 5964 [1,1,0,0,0,0|2,0,0]=4 425 B10R1.1 CCOC1=CN=C(Cl)C=C1 6218 [1,1,0,0,0,0|2,0,0]=4 426 B10R1.1 CCOC1=NC=C(Br)C=C1 6235 [1,1,0,0,0,0|2,0,0]=4 427 B10R1.1 CCOC1=NC=C(N)C=C1 6234 [1,1,0,0,0,0|2,0,0]=4 428 B10R1.1 CNCC1=CC=C(C)C=C1 10497 [1,1,0,0,0,0|1,0,0]=3 429 B10R1.1 CNCC1=CC=C(F)C=C1 31250 [1,1,0,0,0,0|2,0,0]=4 430 B10R1.1 ClC1=CC=C(CCBr)C=C1 28821 [1,1,0,0,0,0|2,0,0]=4 431 B10R1.1 ClCCC1=CC=C(Cl)C=C1 28820 [1,1,0,0,0,0|2,0,0]=4 432 B10R1.1 FC1=CC=C(CCBr)C=C1 25674 [1,1,0,0,0,0|2,0,0]=4 433 B10R1.1 FC1=CC=C(CCBr)C=C1 28825 [1,1,0,0,0,0|2,0,0]=4 434 B10R1.1 N#CCC1=CC=C(Br)C=C1 4242 [1,1,0,0,0,0|2,0,0]=4 435 B10R1.1 N#CCC1=CC=C(Cl)C=C1 16502 [1,1,0,0,0,0|2,0,0]=4 436 B10R1.1 N#CCC1=CC=C(F)C=C1 4169 [1,1,0,0,0,0|2,0,0]=4 437 B10R1.1 N#CCC1=CC=C(I)C=C1 19992 [1,1,0,0,0,0|2,0,0]=4 438 B10R1.1 N#CCC1=CC=C(N)C=C1 4233 [1,1,0,0,0,0|2,0,0]=4 439 B10R1.1 N#CCC1=CC=C(O)C=C1 18614 [1,1,0,0,0,0|1,0,0]=3 440 B10R1.1 NC1=CC=C(CCO)C=C1 4580 [1,1,0,0,0,0|1,0,0]=3 441 B10R1.1 NCCC1=CC=C(Br)C=C1 27051 [1,1,0,0,0,0|2,0,0]=4 442 B10R1.1 NCCC1=CC=C(Cl)C=C1 36132 [1,1,0,0,0,0|2,0,0]=4 443 B10R1.1 NCCC1=CC=C(F)C=C1 16712 [1,1,0,0,0,0|2,0,0]=4 444 B10R1.1 NCCC1=CC=C(F)C=C1 29725 [1,1,0,0,0,0|2,0,0]=4 445 B10R1.1 NCCC1=CC=C(N)C=C1 19815 [1,1,0,0,0,0|2,0,0]=4 446 B10R1.1 NCCC1=CC=C(N)C=C1 25418 [1,1,0,0,0,0|2,0,0]=4 447 B10R1.1 NCCC1=CC=C(O)C=C1 16668 [1,1,0,0,0,0|1,0,0]=3 448 B10R1.1 O=CCC1=CC=C(Cl)C=C1 26501 [1,1,0,0,0,0|1,0,1]=4 449 B10R1.1 OC1=CC=C(CCBr)C=C1 2349 [1,1,0,0,0,0|1,0,0]=3 450 B10R1.1 OCCC1=CC=C(Cl)C=C1 3093 [1,1,0,0,0,0|1,0,0]=3 451 B10R1.1 OCCC1=CC=C(F)C=C1 4585 [1,1,0,0,0,0|1,0,0]=3 452 B10R1.1 OCCC1=CC=C(O)C=C1 9418 [1,1,0,0,0,0|0,0,0]=2 453 B10R1.1 O\N=C\C1=CC=C(F)C=C1 24097 [1,1,0,0,0,0|1,0,1]=4 454 B10R1.1 O\N=C\C1=CC=C(F)C=C1 3479 [1,1,0,0,0,0|1,0,1]=4 455 B10R1.13 C=C(C)C1=CC=C(O)C=C1 27834 [1,1,0,0,0,0|1,0,0]=3 456 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 3294 [1,1,0,0,0,0|2,0,0]=4 457 B10R1.13 CC(=O)C1=CC=C(C)C=C1 3326 [1,1,0,0,0,0|1,0,0]=3 458 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 3297 [1,1,0,0,0,0|2,0,0]=4 459 B10R1.13 CC(=O)C1=CC=C(F)C=C1 10587 [1,1,0,0,0,0|2,0,0]=4 460 B10R1.13 CC(=O)C1=CC=C(I)C=C1 3323 [1,1,0,0,0,0|2,0,0]=4 461 B10R1.13 CC(=O)C1=CC=C(N)C=C1 3288 [1,1,0,0,0,0|2,0,0]=4 462 B10R1.13 CC(=O)C1=CC=C(O)C=C1 3311 [1,1,0,0,0,0|1,0,0]=3 463 B10R1.13 CC(=O)C1=CN=C(C)C=C1 14412 [1,1,0,0,0,0|2,0,0]=4 464 B10R1.13 CC(=O)C1=CN=C(O)C=C1 29236 [1,1,0,0,0,0|2,0,0]=4 465 B10R1.13 CC(=O)C1=NC=C(C)C=C1 16371 [1,1,0,0,0,0|2,0,0]=4 466 B10R1.13 CC(C)C1=CC=C(Br)C=C1 18676 [1,1,0,0,0,0|2,0,0]=4 467 B10R1.13 CC(C)C1=CC=C(I)C=C1 3975 [1,1,0,0,0,0|2,0,0]=4 468 B10R1.13 CC(C)C1=CC=C(S)C=C1 6814 [1,1,0,0,0,0|1,1,0]=4 469 B10R1.13 CC(N)C1=CC=C(Cl)C=C1 27544 [1,1,0,0,0,0|2,0,0]=4 470 B10R1.13 CC(N)C1=CC=C(F)C=C1 3425 [1,1,0,0,0,0|2,0,0]=4 471 B10R1.13 CC(O)C1=CC=C(Br)C=C1 12552 [1,1,0,0,0,0|1,0,0]=3 472 B10R1.13 CC1=CC=C(B(O)O)C=C1 1873 [1,1,0,0,0,0|1,0,0]=3 473 B10R1.13 CC1=CC=C(B(O)O)C=C1 27335 [1,1,0,0,0,0|1,0,0]=3 474 B10R1.13 CC1=CC=C(B(O)O)C=N1 17081 [1,1,0,0,0,0|2,0,0]=4 475 B10R1.13 CC1=CC=C(C(=O)Cl)C=C1 15455 [1,1,0,0,0,0|0,0,2]=4 476 B10R1.13 CC1=CC=C(C(=O)O)C=C1 15433 [1,1,0,0,0,0|0,0,1]=3 477 B10R1.13 CC1=CC=C(C(N)=O)C=C1 27569 [1,1,0,0,0,0|0,0,2]=4 478 B10R1.13 CC1=CC=C(C(O)=S)C=C1 10665 [1,1,0,0,0,0|0,0,1]=3 479 B10R1.13 CC1=CC=C(N(C)C)C=C1 21347 [1,1,0,0,0,0|1,0,0]=3 480 B10R1.13 CC1=CC=C(S(=O)O)C=C1 35986 [1,1,0,0,0,0|1,0,0]=3 481 B10R1.13 CC1=CC=C(S(=O)[O-])C=C1 35988 [1,1,0,0,0,0|1,0,1]=4 482 B10R1.13 CC1=CC=C([C@H](C)O)C=C1 15589 [1,1,0,0,0,0|0,0,0]=2 483 B10R1.13 CC1=CN=C(B(O)O)C=C1 6938 [1,1,0,0,0,0|2,0,0]=4 484 B10R1.13 CC1=CN=C(C(=O)O)C=C1 22648 [1,1,0,0,0,0|1,0,1]=4 485 B10R1.13 CC1=NC=C(C(=O)O)C=C1 1218 [1,1,0,0,0,0|1,0,1]=4 486 B10R1.13 CN(C)C1=CC=C(Br)C=C1 2230 [1,1,0,0,0,0|2,0,0]=4 487 B10R1.13 CN(C)C1=CC=C(Cl)C=C1 5271 [1,1,0,0,0,0|2,0,0]=4 488 B10R1.13 CN(C)C1=CC=C(F)C=C1 3365 [1,1,0,0,0,0|2,0,0]=4 489 B10R1.13 CN(C)C1=CC=C(O)C=C1 27800 [1,1,0,0,0,0|1,0,0]=3 490 B10R1.13 CN(C)c1ccc(N)cc1 21651 [1,1,0,0,0,0|2,0,0]=4 491 B10R1.13 C[C@@H](N)C1=CC=C(Cl)C=C1 15222 [1,1,0,0,0,0|2,0,0]=4 492 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 15219 [1,1,0,0,0,0|2,0,0]=4 493 B10R1.13 C[C@@H](N)C1=CC=C(O)C=C1 2454 [1,1,0,0,0,0|1,0,0]=3 494 B10R1.13 C[C@@H](N)c1ccc(Br)cc1 14234 [1,1,0,0,0,0|2,0,0]=4 495 B10R1.13 C[C@@H](O)C1=CC=C(Br)C=C1 14252 [1,1,0,0,0,0|1,0,0]=3 496 B10R1.13 C[C@@H](O)C1=CC=C(Cl)C=C1 14249 [1,1,0,0,0,0|1,0,0]=3 497 B10R1.13 C[C@@H](O)C1=CC=C(F)C=C1 14245 [1,1,0,0,0,0|1,0,0]=3 498 B10R1.13 C[C@H](N)C1=CC=C(Cl)C=C1 15221 [1,1,0,0,0,0|2,0,0]=4 499 B10R1.13 C[C@H](N)C1=CC=C(F)C=C1 15218 [1,1,0,0,0,0|2,0,0]=4 500 B10R1.13 C[C@H](N)c1ccc(Br)cc1 5736 [1,1,0,0,0,0|2,0,0]=4 501 B10R1.13 C[C@H](O)C1=CC=C(Br)C=C1 14253 [1,1,0,0,0,0|1,0,0]=3 502 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 14251 [1,1,0,0,0,0|1,0,0]=3 503 B10R1.13 C[C@H](O)C1=CC=C(F)C=C1 14247 [1,1,0,0,0,0|1,0,0]=3 504 B10R1.13 Cc1ccc(C(Cl)Cl)cc1 10212 [1,1,0,0,0,0|1,0,0]=3 505 B10R1.13 Cc1ccc([C@@H](C)N)cc1 8021 [1,1,0,0,0,0|1,0,0]=3 506 B10R1.13 Cc1ccc([S@@](N)=O)cc1 9914 [1,1,0,0,0,0|1,0,1]=4 507 B10R1.13 Cc1ccc([S@](N)=O)cc1 9913 [1,1,0,0,0,0|1,0,1]=4 508 B10R1.13 FC(F)C1=CC=C(Br)C=C1 23296 [1,1,0,0,0,0|2,0,0]=4 509 B10R1.13 N=C(N)C1=CC=C(O)C=C1 18174 [1,1,0,0,0,0|1,0,1]=4 510 B10R1.13 NC(=S)C1=CC=C(O)C=C1 13555 [1,1,0,0,0,0|0,1,1]=4 511 B10R1.13 NC1=CC=C(B(O)O)C=C1 17155 [1,1,0,0,0,0|2,0,0]=4 512 B10R1.13 NC1=CC=C(B(O)O)C=C1 1747 [1,1,0,0,0,0|2,0,0]=4 513 B10R1.13 NC1=CC=C(B(O)O)C=C1 6329 [1,1,0,0,0,0|2,0,0]=4 514 B10R1.13 NC1=CC=C(C(=O)O)C=C1 13422 [1,1,0,0,0,0|1,0,1]=4 515 B10R1.13 NC1=CC=C(C(F)F)C=C1 23828 [1,1,0,0,0,0|2,0,0]=4 516 B10R1.13 O=C(O)C1=CC=C(Br)C=C1 3741 [1,1,0,0,0,0|1,0,1]=4 517 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 8985 [1,1,0,0,0,0|1,0,1]=4 518 B10R1.13 O=C(O)C1=CC=C(F)C=C1 8221 [1,1,0,0,0,0|1,0,1]=4 519 B10R1.13 O=C(O)C1=CC=C(I)C=C1 3928 [1,1,0,0,0,0|1,0,1]=4 520 B10R1.13 O=C(O)C1=CC=C(O)C=C1 16819 [1,1,0,0,0,0|0,0,1]=3 521 B10R1.13 O=C(O)C1=CC=C(S)C=C1 6842 [1,1,0,0,0,0|0,1,1]=4 522 B10R1.13 O=C(O)C1=CN=C(O)C=C1 15641 [1,1,0,0,0,0|1,0,1]=4 523 B10R1.13 O=C(O)C1=NC=C(O)C=C1 10094 [1,1,0,0,0,0|1,0,1]=4 524 B10R1.13 O=[N+]([O-])C1=CC=C(O)C=C1 19727 [1,1,0,0,0,0|1,0,1]=4 525 B10R1.13 OB(O)C1=CC=C(Br)C=C1 1763 [1,1,0,0,0,0|2,0,0]=4 526 B10R1.13 OB(O)C1=CC=C(Cl)C=C1 1798 [1,1,0,0,0,0|2,0,0]=4 527 B10R1.13 OB(O)C1=CC=C(F)C=C1 1858 [1,1,0,0,0,0|2,0,0]=4 528 B10R1.13 OB(O)C1=CC=C(I)C=C1 6160 [1,1,0,0,0,0|2,0,0]=4 529 B10R1.13 OB(O)C1=CC=C(O)C=C1 1729 [1,1,0,0,0,0|1,0,0]=3 530 B10R1.13 OB(O)C1=CC=C(S)C=C1 1862 [1,1,0,0,0,0|1,1,0]=4 531 B10R1.13 OC1=CC=C(C(F)F)C=C1 19704 [1,1,0,0,0,0|1,0,0]=3 532 B10R1.25 CC1=C(C#N)C=CC(O)=C1 27578 [1,1,0,0,0,0|1,0,1]=4 533 B10R1.25 CC1=C(C=O)C=CC(O)=C1 3910 [1,1,0,0,0,0|0,0,2]=4 534 B10R1.25 CC1=C(CN)C=CC(Br)=C1 19930 [1,1,0,0,0,0|2,0,0]=4 535 B10R1.25 CC1=C(CN)C=CC(O)=C1 27617 [1,1,0,0,0,0|1,0,0]=3 536 B10R1.25 CC1=C(CO)C=CC(Br)=C1 27441 [1,1,0,0,0,0|1,0,0]=3 537 B10R1.25 CC1=CC(C)=C(C=O)C=C1 3070 [1,1,0,0,0,0|0,0,2]=4 538 B10R1.25 CC1=CC(C)=C(CO)C=C1 35348 [1,1,0,0,0,0|0,0,0]=2 539 B10R1.25 CC1=CC(C)=C(NN)C=C1 6399 [1,1,0,0,0,0|2,0,0]=4 540 B10R1.25 CC1=CC(Cl)=C(C#N)C=C1 4732 [1,1,0,0,0,0|1,0,1]=4 541 B10R1.25 CC1=CC(Cl)=C(C=O)C=C1 17007 [1,1,0,0,0,0|0,0,2]=4 542 B10R1.25 CC1=CC(Cl)=C(NN)C=C1 28906 [1,1,0,0,0,0|2,0,0]=4 543 B10R1.25 CC1=CC(Cl)=C(NN)C=C1 35435 [1,1,0,0,0,0|2,0,0]=4 544 B10R1.25 CC1=CC(Cl)=C(NN)C=C1 4481 [1,1,0,0,0,0|2,0,0]=4 545 B10R1.25 CC1=CC(F)=C(C#N)C=C1 1555 [1,1,0,0,0,0|1,0,1]=4 546 B10R1.25 CC1=CC(F)=C(C=O)C=C1 1451 [1,1,0,0,0,0|0,0,2]=4 547 B10R1.25 CC1=CC(N)=C(C#N)C=C1 4661 [1,1,0,0,0,0|1,0,1]=4 548 B10R1.25 CC1=CC(O)=C(C#N)C=C1 30774 [1,1,0,0,0,0|1,0,1]=4 549 B10R1.25 CC1=CC=C(C=O)C(O)=C1 8154 [1,1,0,0,0,0|0,0,2]=4 550 B10R1.25 CC1=NC(F)=CC=C1CO 17215 [1,1,0,0,0,0|2,0,0]=4 551 B10R1.25 CCC1=C(Br)C=C(N)C=C1 27787 [1,1,0,0,0,0|2,0,0]=4 552 B10R1.25 CCC1=C(Cl)C=C(N)C=C1 27794 [1,1,0,0,0,0|2,0,0]=4 553 B10R1.25 CNC1=C(F)C=C(F)C=C1 10041 [1,1,0,0,0,0|2,0,0]=4 554 B10R1.25 CNC1=CC=C(Br)C=C1N 34299 [1,1,0,0,0,0|2,0,0]=4 555 B10R1.25 COC1=C(Br)C=C(Br)C=C1 3847 [1,1,0,0,0,0|1,0,0]=3 556 B10R1.25 COC1=C(Br)C=C(C)C=C1 3797 [1,1,0,0,0,0|0,0,0]=2 557 B10R1.25 COC1=C(Br)C=C(Cl)C=C1 2629 [1,1,0,0,0,0|1,0,0]=3 558 B10R1.25 COC1=C(Br)C=C(F)C=C1 1972 [1,1,0,0,0,0|1,0,0]=3 559 B10R1.25 COC1=C(Br)C=C(N)C=C1 16856 [1,1,0,0,0,0|1,0,0]=3 560 B10R1.25 COC1=C(Br)C=C(O)C=C1 31091 [1,1,0,0,0,0|0,0,0]=2 561 B10R1.25 COC1=C(Br)C=C(O)C=N1 34282 [1,1,0,0,0,0|1,0,0]=3 562 B10R1.25 COC1=C(C)C=C(Br)C=C1 3798 [1,1,0,0,0,0|1,0,0]=3 563 B10R1.25 COC1=C(C)C=C(C)C=C1 5359 [1,1,0,0,0,0|0,0,0]=2 564 B10R1.25 COC1=C(C)C=C(Cl)C=C1 2665 [1,1,0,0,0,0|1,0,0]=3 565 B10R1.25 COC1=C(C)C=C(F)C=C1 2622 [1,1,0,0,0,0|1,0,0]=3 566 B10R1.25 COC1=C(C)C=C(N)C=C1 15790 [1,1,0,0,0,0|1,0,0]=3 567 B10R1.25 COC1=C(C)C=C(O)C=C1 33186 [1,1,0,0,0,0|0,0,0]=2 568 B10R1.25 COC1=C(Cl)C=C(Br)C=C1 2630 [1,1,0,0,0,0|1,0,0]=3 569 B10R1.25 COC1=C(Cl)C=C(C)C=C1 27687 [1,1,0,0,0,0|0,0,0]=2 570 B10R1.25 COC1=C(Cl)C=C(F)C=C1 2658 [1,1,0,0,0,0|1,0,0]=3 571 B10R1.25 COC1=C(Cl)C=C(N)C=C1 17270 [1,1,0,0,0,0|1,0,0]=3 572 B10R1.25 COC1=C(Cl)C=C(O)C=C1 33443 [1,1,0,0,0,0|0,0,0]=2 573 B10R1.25 COC1=C(Cl)N=C(N)C=C1 22126 [1,1,0,0,0,0|2,0,0]=4 574 B10R1.25 COC1=C(F)C=C(Br)C=C1 1971 [1,1,0,0,0,0|1,0,0]=3 575 B10R1.25 COC1=C(F)C=C(C)C=C1 24850 [1,1,0,0,0,0|0,0,0]=2 576 B10R1.25 COC1=C(F)C=C(Cl)C=C1 2662 [1,1,0,0,0,0|1,0,0]=3 577 B10R1.25 COC1=C(F)C=C(F)C=C1 3455 [1,1,0,0,0,0|1,0,0]=3 578 B10R1.25 COC1=C(F)C=C(N)C=C1 2125 [1,1,0,0,0,0|1,0,0]=3 579 B10R1.25 COC1=C(F)C=C(O)C=C1 2369 [1,1,0,0,0,0|0,0,0]=2 580 B10R1.25 COC1=C(F)C=C(S)C=C1 6875 [1,1,0,0,0,0|0,1,0]=3 581 B10R1.25 COC1=C(I)C=C(Cl)C=C1 14310 [1,1,0,0,0,0|1,0,0]=3 582 B10R1.25 COC1=C(I)C=C(N)C=C1 3307 [1,1,0,0,0,0|1,0,0]=3 583 B10R1.25 COC1=C(I)C=C(N)C=C1 3310 [1,1,0,0,0,0|1,0,0]=3 584 B10R1.25 COC1=C(N)C=C(F)C=C1 2256 [1,1,0,0,0,0|1,0,0]=3 585 B10R1.25 COC1=C(N)C=C(I)C=C1 28345 [1,1,0,0,0,0|1,0,0]=3 586 B10R1.25 COC1=C(N)C=C(N)C=C1 1905 [1,1,0,0,0,0|1,0,0]=3 587 B10R1.25 COC1=C(N)C=C(N)C=C1 24784 [1,1,0,0,0,0|1,0,0]=3 588 B10R1.25 COC1=C(N)C=C(N)C=C1 4107 [1,1,0,0,0,0|1,0,0]=3 589 B10R1.25 COC1=C(O)C=C(Br)C=C1 26431 [1,1,0,0,0,0|1,0,0]=3 590 B10R1.25 COC1=C(O)C=C(C)C=C1 31088 [1,1,0,0,0,0|0,0,0]=2 591 B10R1.25 COC1=C(O)C=C(F)C=C1 3882 [1,1,0,0,0,0|1,0,0]=3 592 B10R1.25 COC1=C(O)C=C(N)C=C1 3112 [1,1,0,0,0,0|1,0,0]=3 593 B10R1.25 COC1=CC=C(N)N=C1C 6638 [1,1,0,0,0,0|2,0,0]=4 594 B10R1.25 COC1=CN=C(O)N=C1O 7099 [1,1,0,0,0,0|2,0,0]=4 595 B10R1.25 COC1=NC=C(Br)C=C1Br 6581 [1,1,0,0,0,0|2,0,0]=4 596 B10R1.25 COC1=NC=C(Br)C=C1C 22058 [1,1,0,0,0,0|2,0,0]=4 597 B10R1.25 COC1=NC=C(Br)C=C1Cl 1164 [1,1,0,0,0,0|2,0,0]=4 598 B10R1.25 COC1=NC=C(Br)C=C1F 10468 [1,1,0,0,0,0|2,0,0]=4 599 B10R1.25 COC1=NC=C(Br)C=C1I 8079 [1,1,0,0,0,0|2,0,0]=4 600 B10R1.25 COC1=NC=C(Br)C=C1N 17164 [1,1,0,0,0,0|2,0,0]=4 601 B10R1.25 COC1=NC=C(C)C=C1I 26966 [1,1,0,0,0,0|1,0,0]=3 602 B10R1.25 COC1=NC=C(Cl)C=C1Br 6584 [1,1,0,0,0,0|2,0,0]=4 603 B10R1.25 COC1=NC=C(Cl)C=C1O 26938 [1,1,0,0,0,0|2,0,0]=4 604 B10R1.25 COC1=NC=C(F)C=C1Br 1175 [1,1,0,0,0,0|2,0,0]=4 605 B10R1.25 COC1=NC=C(F)C=C1C 6603 [1,1,0,0,0,0|2,0,0]=4 606 B10R1.25 COC1=NC=C(F)C=C1O 15267 [1,1,0,0,0,0|2,0,0]=4 607 B10R1.25 COC1=NC=C(N)C=C1Br 1147 [1,1,0,0,0,0|2,0,0]=4 608 B10R1.25 COC1=NC=C(N)C=C1C 1268 [1,1,0,0,0,0|2,0,0]=4 609 B10R1.25 COc1ccc(Cl)cc1O 31127 [1,1,0,0,0,0|1,0,0]=3 610 B10R1.25 CSC1=C(C)C=C(O)C=C1 10656 [1,1,0,0,0,0|0,1,0]=3 611 B10R1.25 CSC1=C(F)C=C(F)C=C1 10719 [1,1,0,0,0,0|1,1,0]=4 612 B10R1.25 ClC1=C(CBr)C=CC(Br)=C1 31300 [1,1,0,0,0,0|2,0,0]=4 613 B10R1.25 ClC1=CC(Cl)=C(CBr)C=C1 27460 [1,1,0,0,0,0|2,0,0]=4 614 B10R1.25 ClCC1=C(Cl)C=C(Cl)C=C1 16507 [1,1,0,0,0,0|2,0,0]=4 615 B10R1.25 FC1=C(CBr)C=CC(Br)=C1 4887 [1,1,0,0,0,0|2,0,0]=4 616 B10R1.25 FC1=C(CBr)C=CC(Cl)=C1 4897 [1,1,0,0,0,0|2,0,0]=4 617 B10R1.25 FC1=CC(Br)=C(CBr)C=C1 4883 [1,1,0,0,0,0|2,0,0]=4 618 B10R1.25 FC1=CC(Cl)=C(CBr)C=C1 4893 [1,1,0,0,0,0|2,0,0]=4 619 B10R1.25 FC1=CC(Cl)=C(CCl)C=C1 36215 [1,1,0,0,0,0|2,0,0]=4 620 B10R1.25 FC1=CC(F)=C(CBr)C=C1 4911 [1,1,0,0,0,0|2,0,0]=4 621 B10R1.25 FC1=CC(F)=C(CCl)C=C1 4912 [1,1,0,0,0,0|2,0,0]=4 622 B10R1.25 N#CC1=C(Cl)C=C(O)C=C1 4727 [1,1,0,0,0,0|1,0,1]=4 623 B10R1.25 N#CC1=C(F)C=C(O)C=C1 2866 [1,1,0,0,0,0|1,0,1]=4 624 B10R1.25 N#CC1=C(F)C=C(O)C=C1 3495 [1,1,0,0,0,0|1,0,1]=4 625 B10R1.25 N#CC1=C(O)C=C(O)C=C1 13114 [1,1,0,0,0,0|1,0,1]=4 626 B10R1.25 NC1=C(CO)C=CC(Br)=C1 31328 [1,1,0,0,0,0|1,0,0]=3 627 B10R1.25 NCC1=C(Cl)C=C(F)C=C1 25411 [1,1,0,0,0,0|2,0,0]=4 628 B10R1.25 NCC1=C(F)C=C(Br)C=C1 12660 [1,1,0,0,0,0|2,0,0]=4 629 B10R1.25 NCC1=C(F)C=C(Br)C=C1 4709 [1,1,0,0,0,0|2,0,0]=4 630 B10R1.25 NCC1=C(F)C=C(Cl)C=C1 27456 [1,1,0,0,0,0|2,0,0]=4 631 B10R1.25 NCC1=C(F)C=C(Cl)C=C1 3428 [1,1,0,0,0,0|2,0,0]=4 632 B10R1.25 NCC1=C(F)C=C(F)C=C1 4399 [1,1,0,0,0,0|2,0,0]=4 633 B10R1.25 O=CC1=C(Br)C=C(O)C=C1 28099 [1,1,0,0,0,0|0,0,2]=4 634 B10R1.25 O=CC1=C(Cl)C=C(O)C=C1 7366 [1,1,0,0,0,0|0,0,2]=4 635 B10R1.25 O=CC1=C(F)C=C(O)C=C1 1442 [1,1,0,0,0,0|0,0,2]=4 636 B10R1.25 O=CC1=C(I)C=C(O)C=C1 28098 [1,1,0,0,0,0|0,0,2]=4 637 B10R1.25 O=CC1=C(O)C=C(O)C=C1 8218 [1,1,0,0,0,0|0,0,2]=4 638 B10R1.25 OCC1=C(Br)C=C(Br)C=C1 9781 [1,1,0,0,0,0|1,0,0]=3 639 B10R1.25 OCC1=C(Br)C=C(F)C=C1 3222 [1,1,0,0,0,0|1,0,0]=3 640 B10R1.25 OCC1=C(Br)C=C(I)C=C1 31340 [1,1,0,0,0,0|1,0,0]=3 641 B10R1.25 OCC1=C(Cl)C=C(Cl)C=C1 9993 [1,1,0,0,0,0|1,0,0]=3 642 B10R1.25 OCC1=C(Cl)C=C(F)C=C1 3426 [1,1,0,0,0,0|1,0,0]=3 643 B10R1.25 OCC1=C(Cl)C=C(O)C=C1 31313 [1,1,0,0,0,0|0,0,0]=2 644 B10R1.25 OCC1=C(F)C=C(Br)C=C1 3223 [1,1,0,0,0,0|1,0,0]=3 645 B10R1.25 OCC1=C(F)C=C(Cl)C=C1 26669 [1,1,0,0,0,0|1,0,0]=3 646 B10R1.25 OCC1=C(F)C=C(F)C=C1 4910 [1,1,0,0,0,0|1,0,0]=3 647 B10R1.25 OCC1=C(I)C=C(F)C=C1 31350 [1,1,0,0,0,0|1,0,0]=3 648 B10R1.25 OCC1=C(O)C=C(Br)C=C1 15237 [1,1,0,0,0,0|1,0,0]=3 649 B10R1.176 C=CC1=CC(O)=C(O)C=C1 35519 [1,1,0,0,0,0|1,0,1]=4 650 B10R1.176 CC1=C(Br)C=C(C#N)C=C1 11163 [1,1,0,0,0,0|1,0,1]=4 651 B10R1.176 CC1=C(Br)C=C(C=O)C=C1 24757 [1,1,0,0,0,0|0,0,2]=4 652 B10R1.176 CC1=C(Br)C=CC(CBr)=C1 24290 [1,1,0,0,0,0|2,0,0]=4 653 B10R1.176 CC1=C(C)C=C(C#N)C=C1 14892 [1,1,0,0,0,0|1,0,1]=4 654 B10R1.176 CC1=C(C)C=C(C=O)C=C1 2535 [1,1,0,0,0,0|0,0,2]=4 655 B10R1.176 CC1=C(C)C=C(CCl)C=C1 14890 [1,1,0,0,0,0|1,0,0]=3 656 B10R1.176 CC1=C(C)C=C(CN)C=C1 4412 [1,1,0,0,0,0|1,0,0]=3 657 B10R1.176 CC1=C(C)C=C(CO)C=C1 2161 [1,1,0,0,0,0|0,0,0]=2 658 B10R1.176 CC1=C(C)C=C(NN)C=C1 19865 [1,1,0,0,0,0|2,0,0]=4 659 B10R1.176 CC1=C(C)C=C(NN)C=C1 21448 [1,1,0,0,0,0|2,0,0]=4 660 B10R1.176 CC1=C(C)C=C(NN)C=C1 7555 [1,1,0,0,0,0|2,0,0]=4 661 B10R1.176 CC1=C(Cl)C=C(C#N)C=C1 4733 [1,1,0,0,0,0|1,0,1]=4 662 B10R1.176 CC1=C(Cl)C=C(C=O)C=C1 4183 [1,1,0,0,0,0|0,0,2]=4 663 B10R1.176 CC1=C(Cl)C=C(CN)C=C1 27458 [1,1,0,0,0,0|1,0,0]=3 664 B10R1.176 CC1=C(Cl)C=C(CO)C=N1 17092 [1,1,0,0,0,0|1,0,0]=3 665 B10R1.176 CC1=C(F)C=C(C#N)C=C1 1557 [1,1,0,0,0,0|1,0,1]=4 666 B10R1.176 CC1=C(F)C=C(C=O)C=C1 1454 [1,1,0,0,0,0|0,0,2]=4 667 B10R1.176 CC1=C(F)C=C(CN)C=C1 16749 [1,1,0,0,0,0|1,0,0]=3 668 B10R1.176 CC1=C(F)C=C(NN)C=C1 3343 [1,1,0,0,0,0|2,0,0]=4 669 B10R1.176 CC1=C(F)C=C(NN)C=C1 4493 [1,1,0,0,0,0|2,0,0]=4 670 B10R1.176 CC1=C(F)C=CC(CN)=C1 4495 [1,1,0,0,0,0|2,0,0]=4 671 B10R1.176 CC1=C(I)C=C(C#N)C=C1 23826 [1,1,0,0,0,0|1,0,1]=4 672 B10R1.176 CC1=C(N)C=C(C#N)C=C1 4665 [1,1,0,0,0,0|1,0,1]=4 673 B10R1.176 CC1=C(O)C=C(C#N)C=C1 19802 [1,1,0,0,0,0|1,0,1]=4 674 B10R1.176 CC1=C(O)C=CC(C=O)=C1 8134 [1,1,0,0,0,0|0,0,2]=4 675 B10R1.176 CCC1=CC(Br)=C(N)C=C1 5314 [1,1,0,0,0,0|2,0,0]=4 676 B10R1.176 CCC1=CC(N)=C(O)C=C1 27789 [1,1,0,0,0,0|1,0,0]=3 677 B10R1.176 CCC1=CC(O)=C(Cl)C=C1 3644 [1,1,0,0,0,0|2,0,0]=4 678 B10R1.176 CCC1=CC=C(N)C(N)=C1 31890 [1,1,0,0,0,0|2,0,0]=4 679 B10R1.176 CCC1=CC=C(O)C(O)=C1 28104 [1,1,0,0,0,0|1,0,0]=3 680 B10R1.176 CNC1=CC(Cl)=C(Cl)C=C1 28299 [1,1,0,0,0,0|2,0,0]=4 681 B10R1.176 COC1=CC(Br)=C(Br)C=C1 4110 [1,1,0,0,0,0|1,0,0]=3 682 B10R1.176 COC1=CC(Br)=C(C)C=C1 24319 [1,1,0,0,0,0|0,0,0]=2 683 B10R1.176 COC1=CC(Br)=C(Cl)C=C1 4555 [1,1,0,0,0,0|1,0,0]=3 684 B10R1.176 COC1=CC(Br)=C(F)C=C1 28354 [1,1,0,0,0,0|1,0,0]=3 685 B10R1.176 COC1=CC(Br)=C(N)C=C1 31003 [1,1,0,0,0,0|1,0,0]=3 686 B10R1.176 COC1=CC(Br)=C(N)C=C1 4332 [1,1,0,0,0,0|1,0,0]=3 687 B10R1.176 COC1=CC(Br)=C(O)C=C1 4135 [1,1,0,0,0,0|0,0,0]=2 688 B10R1.176 COC1=CC(C)=C(Br)C=C1 3796 [1,1,0,0,0,0|1,0,0]=3 689 B10R1.176 COC1=CC(C)=C(C)C=C1 5361 [1,1,0,0,0,0|0,0,0]=2 690 B10R1.176 COC1=CC(C)=C(Cl)C=C1 2666 [1,1,0,0,0,0|1,0,0]=3 691 B10R1.176 COC1=CC(C)=C(F)C=C1 2623 [1,1,0,0,0,0|1,0,0]=3 692 B10R1.176 COC1=CC(C)=C(N)C=C1 28347 [1,1,0,0,0,0|1,0,0]=3 693 B10R1.176 COC1=CC(C)=C(O)C=C1 31104 [1,1,0,0,0,0|0,0,0]=2 694 B10R1.176 COC1=CC(C)=C(S)C=C1 6886 [1,1,0,0,0,0|0,1,0]=3 695 B10R1.176 COC1=CC(Cl)=C(Br)C=C1 2631 [1,1,0,0,0,0|1,0,0]=3 696 B10R1.176 COC1=CC(Cl)=C(C)C=C1 4101 [1,1,0,0,0,0|0,0,0]=2 697 B10R1.176 COC1=CC(Cl)=C(Cl)C=C1 3683 [1,1,0,0,0,0|1,0,0]=3 698 B10R1.176 COC1=CC(Cl)=C(F)C=C1 2660 [1,1,0,0,0,0|1,0,0]=3 699 B10R1.176 COC1=CC(Cl)=C(I)C=C1 27614 [1,1,0,0,0,0|1,0,0]=3 700 B10R1.176 COC1=CC(Cl)=C(N)C=C1 27577 [1,1,0,0,0,0|1,0,0]=3 701 B10R1.176 COC1=CC(Cl)=C(O)C=C1 3663 [1,1,0,0,0,0|0,0,0]=2 702 B10R1.176 COC1=CC(F)=C(Br)C=C1 1970 [1,1,0,0,0,0|1,0,0]=3 703 B10R1.176 COC1=CC(F)=C(Br)C=C1 20025 [1,1,0,0,0,0|1,0,0]=3 704 B10R1.176 COC1=CC(F)=C(C)C=C1 2621 [1,1,0,0,0,0|0,0,0]=2 705 B10R1.176 COC1=CC(F)=C(Cl)C=C1 2663 [1,1,0,0,0,0|1,0,0]=3 706 B10R1.176 COC1=CC(F)=C(F)C=C1 3457 [1,1,0,0,0,0|1,0,0]=3 707 B10R1.176 COC1=CC(F)=C(N)C=C1 15755 [1,1,0,0,0,0|1,0,0]=3 708 B10R1.176 COC1=CC(F)=C(O)C=C1 15011 [1,1,0,0,0,0|0,0,0]=2 709 B10R1.176 COC1=CC(I)=C(Br)C=C1 5347 [1,1,0,0,0,0|1,0,0]=3 710 B10R1.176 COC1=CC(I)=C(Cl)C=C1 5291 [1,1,0,0,0,0|1,0,0]=3 711 B10R1.176 COC1=CC(I)=C(N)C=C1 10738 [1,1,0,0,0,0|1,0,0]=3 712 B10R1.176 COC1=CC(N)=C(Br)C=C1 5335 [1,1,0,0,0,0|1,0,0]=3 713 B10R1.176 COC1=CC(N)=C(Br)C=C1 5367 [1,1,0,0,0,0|1,0,0]=3 714 B10R1.176 COC1=CC(N)=C(C)C=C1 19827 [1,1,0,0,0,0|0,0,0]=2 715 B10R1.176 COC1=CC(N)=C(Cl)C=C1 3658 [1,1,0,0,0,0|1,0,0]=3 716 B10R1.176 COC1=CC(N)=C(Cl)C=C1 3660 [1,1,0,0,0,0|1,0,0]=3 717 B10R1.176 COC1=CC(N)=C(F)C=C1 15806 [1,1,0,0,0,0|1,0,0]=3 718 B10R1.176 COC1=CC(N)=C(I)C=C1 31005 [1,1,0,0,0,0|1,0,0]=3 719 B10R1.176 COC1=CC(N)=C(N)C=C1 28370 [1,1,0,0,0,0|1,0,0]=3 720 B10R1.176 COC1=CC(N)=C(N)C=C1 28371 [1,1,0,0,0,0|1,0,0]=3 721 B10R1.176 COC1=CC(O)=C(Br)C=C1 13262 [1,1,0,0,0,0|1,0,0]=3 722 B10R1.176 COC1=CC(O)=C(C)C=C1 31114 [1,1,0,0,0,0|0,0,0]=2 723 B10R1.176 COC1=CC(O)=C(Cl)C=C1 10217 [1,1,0,0,0,0|1,0,0]=3 724 B10R1.176 COC1=CC(O)=C(F)C=C1 33440 [1,1,0,0,0,0|1,0,0]=3 725 B10R1.176 COC1=CC(S)=C(N)C=C1 21901 [1,1,0,0,0,0|1,0,0]=3 726 B10R1.176 COC1=CC=C(Cl)C(Br)=N1 34861 [1,1,0,0,0,0|2,0,0]=4 727 B10R1.176 COC1=CC=C(Cl)C(Cl)=N1 27271 [1,1,0,0,0,0|2,0,0]=4 728 B10R1.176 COC1=CC=C(Cl)C(N)=N1 34185 [1,1,0,0,0,0|2,0,0]=4 729 B10R1.176 COC1=CC=C(N)C(Br)=N1 1233 [1,1,0,0,0,0|2,0,0]=4 730 B10R1.176 COC1=CC=C(N)C(C)=N1 1267 [1,1,0,0,0,0|2,0,0]=4 731 B10R1.176 COC1=CC=C(N)C(C)=N1 16794 [1,1,0,0,0,0|2,0,0]=4 732 B10R1.176 COC1=CC=C(N)C(N)=N1 20870 [1,1,0,0,0,0|2,0,0]=4 733 B10R1.176 COC1=CC=C(N)C(N)=N1 5392 [1,1,0,0,0,0|2,0,0]=4 734 B10R1.176 COC1=CC=C(O)C(O)=C1 33439 [1,1,0,0,0,0|0,0,0]=2 735 B10R1.176 COC1=CN=C(Cl)C(N)=C1 26205 [1,1,0,0,0,0|2,0,0]=4 736 B10R1.176 COC1=NC(C)=C(Br)C=C1 29228 [1,1,0,0,0,0|2,0,0]=4 737 B10R1.176 COC1=NC(C)=C(Br)C=C1 6601 [1,1,0,0,0,0|2,0,0]=4 738 B10R1.176 COC1=NC(C)=C(F)C=C1 6605 [1,1,0,0,0,0|2,0,0]=4 739 B10R1.176 COC1=NC(C)=C(N)C=C1 1133 [1,1,0,0,0,0|2,0,0]=4 740 B10R1.176 COC1=NC=C(Br)C(C)=C1 6600 [1,1,0,0,0,0|2,0,0]=4 741 B10R1.176 COC1=NC=C(Cl)C(Br)=C1 34352 [1,1,0,0,0,0|2,0,0]=4 742 B10R1.176 COC1=NC=C(F)C(Br)=C1 17047 [1,1,0,0,0,0|2,0,0]=4 743 B10R1.176 COC1=NC=C(F)C(C)=C1 6604 [1,1,0,0,0,0|2,0,0]=4 744 B10R1.176 COC1=NC=C(F)C(I)=C1 15251 [1,1,0,0,0,0|2,0,0]=4 745 B10R1.176 COC1=NC=C(F)C(N)=C1 34238 [1,1,0,0,0,0|2,0,0]=4 746 B10R1.176 COC1=NC=C(N)C(C)=C1 6599 [1,1,0,0,0,0|2,0,0]=4 747 B10R1.176 COc1ccc(Br)c(N)c1 26521 [1,1,0,0,0,0|1,0,0]=3 748 B10R1.176 Cc1ccc(CO)cc1Cl 23926 [1,1,0,0,0,0|0,0,0]=2 749 B10R1.176 ClCC1=CC(Cl)=C(Cl)C=C1 13717 [1,1,0,0,0,0|2,0,0]=4 750 B10R1.176 FC1=C(Br)C=C(CBr)C=C1 26631 [1,1,0,0,0,0|2,0,0]=4 751 B10R1.176 FC1=C(Br)C=CC(CBr)=C1 24015 [1,1,0,0,0,0|2,0,0]=4 752 B10R1.176 FC1=C(Cl)C=C(CBr)C=C1 2130 [1,1,0,0,0,0|2,0,0]=4 753 B10R1.176 FC1=C(Cl)C=CC(CBr)=C1 4898 [1,1,0,0,0,0|2,0,0]=4 754 B10R1.176 FC1=C(Cl)C=CC(CCl)=C1 10205 [1,1,0,0,0,0|2,0,0]=4 755 B10R1.176 FC1=C(F)C=C(CBr)C=C1 4917 [1,1,0,0,0,0|2,0,0]=4 756 B10R1.176 FC1=C(F)C=C(CCl)C=C1 7357 [1,1,0,0,0,0|2,0,0]=4 757 B10R1.176 FC1=C(I)C=CC(CBr)=C1 31348 [1,1,0,0,0,0|2,0,0]=4 758 B10R1.176 N#CC1=CC(Br)=C(O)C=C1 3780 [1,1,0,0,0,0|1,0,1]=4 759 B10R1.176 N#CC1=CC(Cl)=C(O)C=C1 4726 [1,1,0,0,0,0|1,0,1]=4 760 B10R1.176 N#CC1=CC(F)=C(O)C=C1 2610 [1,1,0,0,0,0|1,0,1]=4 761 B10R1.176 N#CC1=CC(O)=C(O)C=C1 3120 [1,1,0,0,0,0|1,0,1]=4 762 B10R1.176 NCC1=CC(Br)=C(F)C=C1 3226 [1,1,0,0,0,0|2,0,0]=4 763 B10R1.176 NCC1=CC(Cl)=C(Cl)C=C1 11054 [1,1,0,0,0,0|2,0,0]=4 764 B10R1.176 NCC1=CC(Cl)=C(F)C=C1 4375 [1,1,0,0,0,0|2,0,0]=4 765 B10R1.176 NCC1=CC(F)=C(F)C=C1 1918 [1,1,0,0,0,0|2,0,0]=4 766 B10R1.176 NCC1=CC(O)=C(O)C=C1 21986 [1,1,0,0,0,0|1,0,0]=3 767 B10R1.176 O=CC1=CC(Br)=C(O)C=C1 3778 [1,1,0,0,0,0|0,0,2]=4 768 B10R1.176 O=CC1=CC(Cl)=C(O)C=C1 7764 [1,1,0,0,0,0|0,0,2]=4 769 B10R1.176 O=CC1=CC(F)=C(O)C=C1 1443 [1,1,0,0,0,0|0,0,2]=4 770 B10R1.176 O=CC1=CC(F)=C(O)C=C1 30905 [1,1,0,0,0,0|0,0,2]=4 771 B10R1.176 O=CC1=CC(O)=C(O)C=C1 8231 [1,1,0,0,0,0|0,0,2]=4 772 B10R1.176 OCC1=CC(Br)=C(F)C=C1 4884 [1,1,0,0,0,0|1,0,0]=3 773 B10R1.176 OCC1=CC(Cl)=C(Cl)C=C1 20761 [1,1,0,0,0,0|1,0,0]=3 774 B10R1.176 OCC1=CC(Cl)=C(Cl)N=C1 17123 [1,1,0,0,0,0|2,0,0]=4 775 B10R1.176 OCC1=CC(F)=C(F)C=C1 4916 [1,1,0,0,0,0|1,0,0]=3 776 B10R1.176 OCC1=CC(F)=C(I)C=C1 31282 [1,1,0,0,0,0|1,0,0]=3 777 B10R1.176 OCC1=CC(O)=C(F)C=C1 35161 [1,1,0,0,0,0|1,0,0]=3 778 B10R1.176 OCC1=CC(O)=C(I)C=C1 28804 [1,1,0,0,0,0|1,0,0]=3 779 B10R1.176 OCC1=CC(O)=C(O)C=C1 3025 [1,1,0,0,0,0|0,0,0]=2 780 B10R1.176 OCC1=NC=C(F)C(Cl)=C1 32243 [1,1,0,0,0,0|2,0,0]=4 781 B10R1.31 CC(=O)C1=CC=C(CO)O1 24280 [0,1,0,0,1,0|2,0,0]=4 782 B12R1.5 C#CC1=CC=C(C(=O)OC)C=C1 29728 [0,2,0,0,0,0|1,0,1]=4 783 B12R1.5 CCC(=O)C1=CC=C(CC)C=C1 28265 [0,2,0,0,0,0|2,0,0]=4 784 B12R1.5 CCC1=CC=C(C(=O)CBr)C=C1 33537 [0,2,0,0,0,0|2,0,0]=4 785 B12R1.5 COC(=O)C1=CC=C(C=O)C=C1 17488 [0,2,0,0,0,0|0,0,2]=4 786 B12R1.5 COC(=O)C1=CC=C(CBr)C=C1 13652 [0,2,0,0,0,0|1,0,0]=3 787 B12R1.5 COC(=O)C1=CC=C(CN)C=C1 24217 [0,2,0,0,0,0|1,0,0]=3 788 B12R1.5 COC(=O)C1=CC=C(CN)C=C1 24218 [0,2,0,0,0,0|1,0,0]=3 789 B12R1.5 COC(=O)C1=CN=C(CO)C=C1 19720 [0,2,0,0,0,0|1,0,0]=3 790 B12R1.5 COC(=O)C1=CN=C(OC)C=C1 14334 [0,2,0,0,0,0|1,0,1]=4 791 B12R1.5 COC(=O)C1=NC=C(OC)C=C1 35347 [0,2,0,0,0,0|1,0,1]=4 792 B12R1.5 COC1=CC=C(C(=O)C=O)C=C1 12129 [0,2,0,0,0,0|0,0,2]=4 793 B12R1.5 COC1=CC=C(C(=O)CBr)C=C1 3261 [0,2,0,0,0,0|1,0,0]=3 794 B12R1.5 COC1=CC=C(C(=O)CCl)C=C1 3270 [0,2,0,0,0,0|1,0,0]=3 795 B12R1.5 COC1=CC=C(C(=O)CN)C=C1 22350 [0,2,0,0,0,0|1,0,0]=3 796 B12R1.5 COC1=CC=C(C(=O)NN)C=C1 17801 [0,2,0,0,0,0|0,0,2]=4 797 B12R1.5 COC1=CC=C([C@H](O)CN)C=C1 19377 [0,2,0,0,0,0|0,0,0]=2 798 B12R1.6 CC(C)(C)C1=CC=C(CBr)C=C1 4892 [0,2,0,0,0,0|2,0,0]=4 799 B12R1.6 CC(C)(C)C1=CC=C(CCl)C=C1 36097 [0,2,0,0,0,0|2,0,0]=4 800 B12R1.6 CC(C)(C)C1=CC=C(CN)C=C1 4711 [0,2,0,0,0,0|2,0,0]=4 801 B12R1.6 CNC1=CC=C(C(F)(F)F)C=C1 44708 [0,2,0,0,0,0|2,0,0]=4 802 B12R1.6 COC1=CC=C(C(C)(C)C)C=C1 35317 [0,2,0,0,0,0|1,0,0]=3 803 B12R1.6 COC1=CC=C(C(C)(C)O)C=C1 24425 [0,2,0,0,0,0|0,0,0]=2 804 B12R1.6 COC1=CC=C(C(F)(F)F)C=C1 10126 [0,2,0,0,0,0|1,0,0]=3 805 B12R1.6 COC1=CC=C(S(C)(=O)=O)C=C1 10828 [0,2,0,0,0,0|1,0,1]=4 806 B12R1.6 COC1=CC=C([B-](F)(F)F)C=C1 11347 [0,2,0,0,0,0|2,0,0]=4 807 B12R1.6 COC1=CCC(C(C)(C)O)=CC1 15657 [0,2,0,0,0,0|0,0,2]=4 808 B12R1.6 COC1=CN=C(C(F)(F)F)C=C1 23560 [0,2,0,0,0,0|2,0,0]=4 809 B12R1.6 COC1=NC=C(C(F)(F)F)C=C1 9296 [0,2,0,0,0,0|2,0,0]=4 810 B12R1.6 CS(=O)(=O)C1=CC=C(CBr)C=C1 18666 [0,2,0,0,0,0|1,1,0]=4 811 B12R1.6 CSC1=CC=C(C(F)(F)F)C=C1 10529 [0,2,0,0,0,0|1,1,0]=4 812 B12R1.6 OCC1=CC=C(C(F)(F)F)C=C1 3573 [0,2,0,0,0,0|2,0,0]=4 813 B12R1.6 OCC1=CC=C([B-](F)(F)F)C=C1 11367 [0,2,0,0,0,0|2,0,0]=4 814 B12R1.48 COC1=C(Br)C=C(C(=O)O)C=C1 2675 [0,2,0,0,0,0|0,0,1]=3 815 B12R1.48 COC1=C(Br)C=C(C(C)=O)C=C1 21012 [0,2,0,0,0,0|0,0,2]=4 816 B12R1.48 COC1=C(Br)C=C([N+](=O)[O-])C=C1 4133 [0,2,0,0,0,0|1,0,1]=4 817 B12R1.48 COC1=C(C)C=C(B(O)O)C=C1 33884 [0,2,0,0,0,0|1,0,0]=3 818 B12R1.48 COC1=C(C)C=C([N+](=O)[O-])C=C1 28385 [0,2,0,0,0,0|1,0,1]=4 819 B12R1.48 COC1=C(Cl)C=C(B(O)O)C=C1 29594 [0,2,0,0,0,0|1,0,0]=3 820 B12R1.48 COC1=C(Cl)C=C(C(C)=O)C=C1 16367 [0,2,0,0,0,0|0,0,2]=4 821 B12R1.48 COC1=C(Cl)C=C([C@H](C)O)C=C1 15581 [0,2,0,0,0,0|0,0,0]=2 822 B12R1.48 COC1=C(Cl)C=C([N+](=O)[O-])C=C1 19087 [0,2,0,0,0,0|1,0,1]=4 823 B12R1.48 COC1=C(F)C=C(B(O)O)C=C1 1850 [0,2,0,0,0,0|1,0,0]=3 824 B12R1.48 COC1=C(F)C=C(C(=O)Cl)C=C1 1921 [0,2,0,0,0,0|0,0,2]=4 825 B12R1.48 COC1=C(F)C=C(C(=O)O)C=C1 1393 [0,2,0,0,0,0|0,0,1]=3 826 B12R1.48 COC1=C(F)C=C(C(C)=O)C=C1 3499 [0,2,0,0,0,0|0,0,2]=4 827 B12R1.48 COC1=C(F)C=C([N+](=O)[O-])C=C1 2145 [0,2,0,0,0,0|1,0,1]=4 828 B12R1.48 COC1=C(I)C=C(C(=O)O)C=C1 4973 [0,2,0,0,0,0|0,0,1]=3 829 B12R1.48 COC1=C(I)C=C([N+](=O)[O-])C=C1 5364 [0,2,0,0,0,0|1,0,1]=4 830 B12R1.48 COC1=C(N)C=C(B(O)O)C=C1 1749 [0,2,0,0,0,0|1,0,0]=3 831 B12R1.48 COC1=C(N)C=C(C(=O)O)C=C1 2032 [0,2,0,0,0,0|0,0,1]=3 832 B12R1.48 COC1=C(N)C=C(C(N)=O)C=C1 35459 [0,2,0,0,0,0|0,0,2]=4 833 B12R1.48 COC1=C(N)C=C([N+](=O)[O-])C=C1 11610 [0,2,0,0,0,0|1,0,1]=4 834 B12R1.48 COC1=C(O)C=C(C(=O)O)C=C1 19741 [0,2,0,0,0,0|0,0,1]=3 835 B12R1.48 COC1=NC=C(B(O)O)C=C1Cl 11125 [0,2,0,0,0,0|2,0,0]=4 836 B12R1.48 COC1=NC=C(B(O)O)C=C1F 11110 [0,2,0,0,0,0|2,0,0]=4 837 B12R1.48 COC1=NC=C(C(=O)O)C=C1Cl 15239 [0,2,0,0,0,0|1,0,1]=4 838 B12R1.48 COc1ccc(C(=O)O)cc1Cl 19130 [0,2,0,0,0,0|0,0,1]=3 839 B12R1.48 OCC1=C(Cl)C=C(B(O)O)C=C1 33208 [0,2,0,0,0,0|2,0,0]=4 840 B12R1.48 OCC1=C(F)C=C(B(O)O)C=C1 33207 [0,2,0,0,0,0|2,0,0]=4 841 B12R1.113 CC(=O)C1=CC=C(CCBr)C=C1 31199 [0,2,0,0,0,0|2,0,0]=4 842 B12R1.113 CC(C)C1=CC=C(CC#N)C=C1 17248 [0,2,0,0,0,0|2,0,0]=4 843 B12R1.113 CCCC1=CC=C(B(O)O)C=C1 7892 [0,2,0,0,0,0|2,0,0]=4 844 B12R1.113 CCOC1=CC=C(B(O)O)C=C1 1836 [0,2,0,0,0,0|1,0,0]=3 845 B12R1.113 CCOC1=CC=C(B(O)O)C=N1 20147 [0,2,0,0,0,0|2,0,0]=4 846 B12R1.113 CCOC1=CC=C(C(=O)Cl)C=C1 10868 [0,2,0,0,0,0|0,0,2]=4 847 B12R1.113 CCOC1=CC=C(C(=O)O)C=C1 2686 [0,2,0,0,0,0|0,0,1]=3 848 B12R1.113 CCOC1=CC=C(C(C)=O)C=C1 3306 [0,2,0,0,0,0|0,0,2]=4 849 B12R1.113 CCOC1=CC=C([N+](=O)[O-])C=C1 3190 [0,2,0,0,0,0|1,0,1]=4 850 B12R1.113 CCSC1=CC=C(B(O)O)C=C1 1845 [0,2,0,0,0,0|1,1,0]=4 851 B12R1.113 CNCC1=CC=C(B(O)O)C=C1 34184 [0,2,0,0,0,0|2,0,0]=4 852 B12R1.113 COCC1=CC=C(B(O)O)C=C1 29543 [0,2,0,0,0,0|1,0,0]=3 853 B12R1.113 O=C(O)C1=CC=C(CCBr)C=C1 30479 [0,2,0,0,0,0|1,0,1]=4 854 B12R1.113 O=[N+]([O-])C1=CC=C(CCO)C=C1 14282 [0,2,0,0,0,0|2,0,0]=4 855 B12R1.256 CC(=O)C1=CC=C(B(O)O)C=C1 1734 [0,2,0,0,0,0|2,0,0]=4 856 B12R1.256 CC(=O)C1=CC=C(C(=O)O)C=C1 3129 [0,2,0,0,0,0|1,0,1]=4 857 B12R1.256 CC(C)C1=CC=C(B(O)O)C=C1 1860 [0,2,0,0,0,0|2,0,0]=4 858 B12R1.256 CC(C)C1=CC=C(C(=O)O)C=C1 20027 [0,2,0,0,0,0|1,0,1]=4 859 B12R1.256 CN(C)C1=CC=C(B(O)O)C=C1 1829 [0,2,0,0,0,0|2,0,0]=4 860 B12R1.256 CS(=O)C1=CC=C(C(=O)O)C=C1 15338 [0,2,0,0,0,0|0,1,1]=4 861 B12R1.452 CC1=C([N+](=O)[O-])C=CC(CO)=C1 28810 [0,2,0,0,0,0|2,0,0]=4 862 B12R1.452 CNC1=CC(Cl)=C(C(=O)O)C=C1 24164 [0,2,0,0,0,0|1,0,1]=4 863 B12R1.452 COC1=CC(Br)=C(C(=O)O)C=C1 17209 [0,2,0,0,0,0|0,0,1]=3 864 B12R1.452 COC1=CC(Br)=C(C(F)F)C=C1 31147 [0,2,0,0,0,0|1,0,0]=3 865 B12R1.452 COC1=CC(Br)=C([N+](=O)[O-])C=C1 31150 [0,2,0,0,0,0|1,0,1]=4 866 B12R1.452 COC1=CC(C)=C(C(=O)O)C=C1 30466 [0,2,0,0,0,0|0,0,1]=3 867 B12R1.452 COC1=CC(C)=C([N+](=O)[O-])C=C1 4149 [0,2,0,0,0,0|1,0,1]=4 868 B12R1.452 COC1=CC(Cl)=C(B(O)O)C=C1 1781 [0,2,0,0,0,0|1,0,0]=3 869 B12R1.452 COC1=CC(Cl)=C(C(=O)O)C=C1 14030 [0,2,0,0,0,0|0,0,1]=3 870 B12R1.452 COC1=CC(F)=C(B(O)O)C=C1 15367 [0,2,0,0,0,0|1,0,0]=3 871 B12R1.452 COC1=CC(F)=C(C(=O)Cl)C=C1 28648 [0,2,0,0,0,0|0,0,2]=4 872 B12R1.452 COC1=CC(F)=C(C(=O)O)C=C1 4965 [0,2,0,0,0,0|0,0,1]=3 873 B12R1.452 COC1=CC(F)=C(C(C)=O)C=C1 2548 [0,2,0,0,0,0|0,0,2]=4 874 B12R1.452 COC1=CC(F)=C([N+](=O)[O-])C=C1 4139 [0,2,0,0,0,0|1,0,1]=4 875 B12R1.452 COC1=CC(I)=C([N+](=O)[O-])C=C1 28384 [0,2,0,0,0,0|1,0,1]=4 876 B12R1.452 COC1=CC(N)=C(C(=O)O)C=C1 11856 [0,2,0,0,0,0|0,0,1]=3 877 B12R1.452 COC1=CC(N)=C(C(C)=O)C=C1 29252 [0,2,0,0,0,0|0,0,2]=4 878 B12R1.452 COC1=CC(N)=C([N+](=O)[O-])C=C1 5365 [0,2,0,0,0,0|1,0,1]=4 879 B12R1.452 COC1=CC(O)=C(C(=O)O)C=C1 18895 [0,2,0,0,0,0|0,0,1]=3 880 B12R1.452 COC1=CC(O)=C(C(C)=O)C=C1 3271 [0,2,0,0,0,0|0,0,2]=4 881 B12R1.452 COC1=CC(O)=C([N+](=O)[O-])C=C1 22230 [0,2,0,0,0,0|1,0,1]=4 882 B12R1.452 COC1=CC=C(B(O)O)C(C)=N1 10535 [0,2,0,0,0,0|2,0,0]=4 883 B12R1.452 COC1=CC=C(C(=O)O)C(Cl)=N1 15182 [0,2,0,0,0,0|1,0,1]=4 884 B12R1.452 COC1=NC(F)=C(C(=O)O)C=C1 27964 [0,2,0,0,0,0|1,0,1]=4 885 B12R1.4 C=CC1=CC=C(OC(C)=O)C=C1 16000 [0,2,0,0,0,0|1,0,1]=4 886 B12R1.4 CC(C)OC1=CC=C(C=O)C=C1 9651 [0,2,0,0,0,0|0,0,2]=4 887 B12R1.4 CCC1=CC=C(CC(C)=O)C=C1 19953 [0,2,0,0,0,0|1,0,1]=4 888 B12R1.4 COC1=CC=C(CC(=O)O)C=C1 19844 [0,2,0,0,0,0|0,0,0]=2 889 B12R1.4 COC1=CC=C(C[C@@H](C)N)C=C1 36095 [0,2,0,0,0,0|1,0,0]=3 890 B12R1.4 COC1=CC=C(NC(=N)N)C=C1 22162 [0,2,0,0,0,0|1,0,1]=4 891 B12R1.4 COC1=CC=C(NC(C)=O)C=C1 3327 [0,2,0,0,0,0|0,0,2]=4 892 B12R1.4 CSC1=CC=C(CC(=O)O)C=C1 10785 [0,2,0,0,0,0|0,1,0]=3 893 B12R1.4 FC(F)OC1=CC=C(CBr)C=C1 31333 [0,2,0,0,0,0|1,0,0]=3 894 B12R1.4 N#CC1=CC=C(CC(=O)O)C=C1 19712 [0,2,0,0,0,0|2,0,0]=4 895 B12R1.4 N#CC1=CC=C(OC(F)F)C=C1 18485 [0,2,0,0,0,0|1,0,1]=4 896 B12R1.4 NCC1=CC=C(CC(=O)O)C=C1 31939 [0,2,0,0,0,0|2,0,0]=4 897 B12R1.4 NCC1=CC=C(OC(F)F)C=C1 31254 [0,2,0,0,0,0|1,0,0]=3 898 B12R1.4 O=C(O)CC1=CC=C(CBr)C=C1 16459 [0,2,0,0,0,0|2,0,0]=4 899 B12R1.4 O=C(O)CC1=CC=C(CO)C=C1 19630 [0,2,0,0,0,0|1,0,1]=4 900 B12R1.4 O=CC1=CC=C(OC(F)F)C=C1 7137 [0,2,0,0,0,0|0,0,2]=4 901 B12R1.71 CCCOC1=CC=C(C=O)C=C1 20260 [0,2,0,0,0,0|0,0,2]=4 902 B12R1.71 CCNCC1=CC=C(OC)C=C1 26458 [0,2,0,0,0,0|1,0,0]=3 903 B12R1.71 COC1=CC=C(CCC=O)C=C1 10913 [0,2,0,0,0,0|0,0,1]=3 904 B12R1.71 COC1=CC=C(CCCN)C=C1 13994 [0,2,0,0,0,0|1,0,0]=3 905 B12R1.71 COC1=CC=C(CCCO)C=C1 14210 [0,2,0,0,0,0|0,0,0]=2 906 B12R1.71 COC1=CC=C(COCCl)C=C1 24122 [0,2,0,0,0,0|0,0,0]=2 907 B12R1.71 CSC1=CC=C(OCCN)C=C1 19160 [0,2,0,0,0,0|1,1,0]=4 908 B12R1.71 O=CC1=CC=C(OCCO)C=C1 35274 [0,2,0,0,0,0|0,0,2]=4 909 B12R1.114 CCOC1=C(Br)C=C(C=O)C=C1 2640 [0,2,0,0,0,0|0,0,2]=4 910 B12R1.114 COC1=CC(C)=C(CC#N)C=C1 31426 [0,2,0,0,0,0|1,0,0]=3 911 B12R1.114 COC1=CC(Cl)=C(CC#N)C=C1 11235 [0,2,0,0,0,0|1,0,0]=3 912 B12R1.116 CCOC1=CC=C(CC#N)C=C1 4163 [0,2,0,0,0,0|1,0,0]=3 913 B12R1.116 CCOC1=CC=C(N=C=O)C=C1 3178 [0,2,0,0,0,0|0,0,2]=4 914 B12R1.116 CCOC1=CC=C(N=C=S)C=C1 9560 [0,2,0,0,0,0|0,1,1]=4 915 B12R1.116 COCC1=CC=C(COC)C=C1 9024 [0,2,0,0,0,0|0,0,0]=2 916 B12R1.116 OCCC1=CC=C(CCO)C=C1 25448 [0,2,0,0,0,0|1,0,0]=3 917 B12R1.288 CCOC1=CC(O)=C(C=O)C=C1 26112 [0,2,0,0,0,0|0,0,2]=4 918 B12R1.288 COC1=C(C)C=C(CC#N)C=C1 31493 [0,2,0,0,0,0|1,0,0]=3 919 B12R1.288 COC1=C(O)C=C(CCN)C=C1 19594 [0,2,0,0,0,0|1,0,0]=3 920 B12R1.78 C#CC1=CC(OC)=C(OC)C=C1 19824 [0,2,0,0,0,0|1,0,1]=4 921 B12R1.78 CCC1=C(OC)C=CC(OC)=C1 3047 [0,2,0,0,0,0|2,0,0]=4 922 B12R1.78 CCC1=CC(OC)=C(OC)C=C1 3046 [0,2,0,0,0,0|1,0,0]=3 923 B12R1.78 COC1=C(OC)C=C(C#N)C=C1 8124 [0,2,0,0,0,0|1,0,1]=4 924 B12R1.78 COC1=C(OC)C=C(C=O)C=C1 8238 [0,2,0,0,0,0|0,0,2]=4 925 B12R1.78 COC1=C(OC)C=C(CCl)C=C1 13181 [0,2,0,0,0,0|1,0,0]=3 926 B12R1.78 COC1=C(OC)C=C(CN)C=C1 7394 [0,2,0,0,0,0|1,0,0]=3 927 B12R1.78 COC1=C(OC)C=C(CO)C=C1 7452 [0,2,0,0,0,0|0,0,0]=2 928 B12R1.78 COC1=CC(C#N)=C(C=O)C=C1 17011 [0,2,0,0,0,0|0,0,2]=4 929 B12R1.78 COC1=CC(C#N)=C(OC)C=C1 13109 [0,2,0,0,0,0|2,0,0]=4 930 B12R1.78 COC1=CC(C=O)=C(OC)C=C1 2176 [0,2,0,0,0,0|2,0,0]=4 931 B12R1.78 COC1=CC(CN)=C(OC)C=C1 7396 [0,2,0,0,0,0|2,0,0]=4 932 B12R1.78 COC1=CC(OC)=C(C#N)C=C1 13105 [0,2,0,0,0,0|1,0,1]=4 933 B12R1.78 COC1=CC(OC)=C(C=O)C=C1 8220 [0,2,0,0,0,0|0,0,2]=4 934 B12R1.78 COC1=CC(OC)=C(CCl)C=C1 27178 [0,2,0,0,0,0|1,0,0]=3 935 B12R1.78 COC1=CC(OC)=C(CN)C=C1 7397 [0,2,0,0,0,0|1,0,0]=3 936 B12R1.78 COC1=CC(OC)=C(CN)C=C1 7398 [0,2,0,0,0,0|1,0,0]=3 937 B12R1.78 COC1=CC(OC)=C(CO)C=C1 7454 [0,2,0,0,0,0|0,0,0]=2 938 B12R1.301 COC1=C(C)C=C(C#N)C=C1C 28742 [0,2,0,0,0,0|1,0,1]=4 939 B12R1.301 COC1=C(C)C=C(C=O)C=C1C 2637 [0,2,0,0,0,0|0,0,2]=4 940 B12R1.301 COC1=CC(C)=C(C=O)C(C)=C1 30923 [0,2,0,0,0,0|0,0,2]=4 941 B12R1.301 COC1=CC(C)=C(CBr)C(C)=C1 26237 [0,2,0,0,0,0|1,0,0]=3 942 B12R1.301 COC1=CC(C)=C(OC)C(C)=C1 3043 [0,2,0,0,0,0|2,0,0]=4 943 B12R1.301 COC1=CC(Cl)=C(C#N)C(Cl)=C1 28736 [0,2,0,0,0,0|1,0,1]=4 944 B12R1.301 COC1=CC(Cl)=C(C=O)C(Cl)=C1 28409 [0,2,0,0,0,0|0,0,2]=4 945 B12R1.301 COC1=CC(F)=C(C#N)C(F)=C1 4764 [0,2,0,0,0,0|1,0,1]=4 946 B12R1.301 COC1=CC(F)=C(C=O)C(F)=C1 14782 [0,2,0,0,0,0|0,0,2]=4 947 B12R1.301 COC1=CC(F)=C(CBr)C(F)=C1 31337 [0,2,0,0,0,0|1,0,0]=3 948 B12R1.450 COC1=CC(Br)=C(C=O)C=C1O 21946 [0,2,0,0,0,0|0,0,2]=4 949 B12R1.450 COC1=CC(Br)=C(OC)C=C1Br 16840 [0,2,0,0,0,0|2,0,0]=4 950 B12R1.450 COC1=CC(C)=C(C=O)C=C1C 4208 [0,2,0,0,0,0|0,0,2]=4 951 B12R1.450 COC1=CC(F)=C(C#N)C=C1F 30813 [0,2,0,0,0,0|1,0,1]=4 952 B12R1.450 COC1=CC(F)=C(C=O)C=C1F 17005 [0,2,0,0,0,0|0,0,2]=4 953 B12R1.450 COC1=CC(F)=C(OC)C=C1F 3040 [0,2,0,0,0,0|2,0,0]=4 954 B12R1.450 COC1=CC(N)=C(C#N)C=C1Cl 30829 [0,2,0,0,0,0|1,0,1]=4 955 B12R1.450 COC1=CC(N)=C(OC)C=C1Cl 4366 [0,2,0,0,0,0|2,0,0]=4 956 B12R1.653 COC1=C(Br)C(Br)=C(OC)C=C1 11890 [0,2,0,0,0,0|2,0,0]=4 957 B12R1.653 COC1=C(C)C(C)=C(C=O)C=C1 8143 [0,2,0,0,0,0|0,0,2]=4 958 B12R1.653 COC1=C(F)C(F)=C(C#N)C=C1 10693 [0,2,0,0,0,0|1,0,1]=4 959 B12R1.653 COC1=C(O)C(Cl)=C(C=O)C=C1 27576 [0,2,0,0,0,0|0,0,2]=4 960 B10R1.2 CC1=CC=CC(CO)=C1Br 31377 [0,0,1,1,0,0|2,0,0]=4 961 B10R1.2 COC1=CC=CC(O)=C1Br 34186 [0,0,1,1,0,0|1,0,1]=4 962 B10R1.2 COC1=CC=CC(O)=C1Cl 33442 [0,0,1,1,0,0|1,0,1]=4 963 B10R1.2 COC1=CC=CC(O)=C1F 27943 [0,0,1,1,0,0|1,0,1]=4 964 B12R2.44 COC1=CC2=C(C=C1)N=CN2 7662 [0,1,0,1,0,0|1,0,1]=4 965 B12R2.44 COC1=CC2=C(C=CO2)C=C1 33547 [0,1,0,1,0,0|0,0,1]=3 966 B12R2.44 COC1=CC2=C(C=CS2)C=C1 27294 [0,1,0,1,0,0|0,1,1]=4 967 B12R2.44 COC1=CC=C2C=CNC2=C1 1701 [0,1,0,1,0,0|1,0,1]=4 968 B12R2.44 COC1=CC=C2CCNC2=C1 20088 [0,1,0,1,0,0|1,0,0]=3 969 B12R2.44 COC1=CC=C2CCNC2=C1 8317 [0,1,0,1,0,0|1,0,0]=3 970 B12R2.44 COC1=CC=C2CNCC2=C1 17685 [0,1,0,1,0,0|1,0,0]=3 971 B12R2.44 COC1=CC=C2CNCC2=N1 23499 [0,1,0,1,0,0|2,0,0]=4 972 B12R2.44 COC1=CC=C2NC=CC2=C1 7432 [0,1,0,1,0,0|1,0,1]=4 973 B12R2.44 COC1=CC=C2NCCC2=C1 8318 [0,1,0,1,0,0|1,0,0]=3 974 B12R2.44 COC1=CC=C2NN=CC2=C1 11084 [0,1,0,1,0,0|2,0,0]=4 975 B12R2.44 ClCC1=CC2=C(C=C1)OCC2 7796 [0,1,0,1,0,0|1,0,0]=3 976 B12R2.44 ClCC1=CC2=C(C=C1)OCO2 35833 [0,1,0,1,0,0|1,0,0]=3 977 B12R2.44 N#CC1=CC2=C(C=C1)OCO2 15358 [0,1,0,1,0,0|1,0,1]=4 978 B12R2.44 NCC1=CC2=C(C=C1)OC=C2 7027 [0,1,0,1,0,0|1,0,1]=4 979 B12R2.44 NCC1=CC2=C(C=C1)OCC2 6985 [0,1,0,1,0,0|1,0,0]=3 980 B12R2.44 NCC1=CC2=C(C=C1)OCO2 7387 [0,1,0,1,0,0|1,0,0]=3 981 B12R2.44 O=CC1=CC2=C(C=C1)OCC2 13007 [0,1,0,1,0,0|0,0,2]=4 982 B12R2.44 OCC1=CC2=C(C=C1)CCO2 33826 [0,1,0,1,0,0|1,0,0]=3 983 B12R2.44 OCC1=CC2=C(C=C1)OC=C2 7026 [0,1,0,1,0,0|0,0,1]=3 984 B12R2.44 OCC1=CC2=C(C=C1)OCC2 7802 [0,1,0,1,0,0|0,0,0]=2 985 B12R2.44 OCC1=CC2=C(C=C1)OCO2 13179 [0,1,0,1,0,0|0,0,0]=2 986 B12R2.44 OCC1=CC=C2C=CNC2=C1 7966 [0,1,0,1,0,0|1,0,1]=4 987 B12R2.44 OCC1=CC=C2NC=CC2=C1 7959 [0,1,0,1,0,0|1,0,1]=4 988 B12R2.44 OCC1=CC=C2NN=CC2=C1 18182 [0,1,0,1,0,0|1,0,1]=4 989 B8R1.1 CC1=CC(CO)=NO1 8686 [1,0,0,0,1,0|2,0,0]=4 990 B8R1.1 CC1=CC=C(CN)O1 6995 [1,0,0,0,1,0|2,0,0]=4 991 B8R1.1 CC1=CC=C(CO)O1 9804 [1,0,0,0,1,0|1,0,0]=3 992 B8R1.1 CN1C=C(CO)C=N1 13305 [1,0,0,0,1,0|2,0,0]=4 993 B8R1.1 CN1C=CC(CO)=N1 23752 [1,0,0,0,1,0|2,0,0]=4 994 B8R1.1 COC1=CC=C(O)O1 22256 [1,0,0,0,1,0|1,0,0]=3 995 B10R1.172 COC1=CC(C#N)=CN=C1 16544 [0,0,0,0,1,1|1,0,1]=4 996 B10R1.172 COC1=CC(C=O)=NC=C1 27798 [0,0,0,0,1,1|0,0,2]=4 997 B10R1.172 COC1=CC(CN)=NC=C1 27624 [0,0,0,0,1,1|1,0,0]=3 998 B10R1.172 COC1=CC(CN)=NC=C1 34573 [0,0,0,0,1,1|1,0,0]=3 999 B10R1.172 COC1=CC(CO)=NC=C1 9295 [0,0,0,0,1,1|0,0,0]=2 1000 B10R1.172 COC1=CC=CC(C#N)=C1 4813 [0,0,0,0,1,1|1,0,1]=4 1001 B10R1.172 COC1=CC=CC(C=O)=C1 13614 [0,0,0,0,1,1|0,0,2]=4 1002 B10R1.172 COC1=CC=CC(CBr)=C1 13585 [0,0,0,0,1,1|1,0,0]=3 1003 B10R1.172 COC1=CC=CC(CCl)=C1 4653 [0,0,0,0,1,1|1,0,0]=3 1004 B10R1.172 COC1=CC=CC(CN)=C1 7401 [0,0,0,0,1,1|1,0,0]=3 1005 B10R1.172 COC1=CC=CC(CO)=C1 3095 [0,0,0,0,1,1|0,0,0]=2 1006 B10R1.172 COC1=CC=CC(CO)=N1 16585 [0,0,0,0,1,1|1,0,0]=3 1007 B10R1.172 COC1=CC=CC(SC)=C1 10653 [0,0,0,0,1,1|2,0,0]=4 1008 B10R1.172 COC1=CN=CC(C=O)=C1 27156 [0,0,0,0,1,1|0,0,2]=4 1009 B10R1.172 COC1=CN=CC(OC)=C1 18112 [0,0,0,0,1,1|2,0,0]=4 1010 B10R1.172 COC1=NC=CC(C=O)=C1 17088 [0,0,0,0,1,1|0,0,2]=4 1011 B10R1.172 COC1=NC=CC(CCl)=C1 24332 [0,0,0,0,1,1|1,0,0]=3 1012 B10R1.172 CSC1=CC=CC(CCl)=C1 32305 [0,0,0,0,1,1|1,1,0]=4 1013 B10R1.172 N#Cc1cccc(CO)c1 30787 [0,0,0,0,1,1|2,0,0]=4