0 B12R1.78 C#CC1=CC(OC)=C(OC)C=C1 19824 [0,0,0,0,0,0|1,0,1]=2 1 B12R1.78 CCC1=C(OC)C=CC(OC)=C1 3047 [0,0,0,0,0,0|3,0,0]=3 2 B12R1.78 CCC1=CC(OC)=C(OC)C=C1 3046 [0,0,0,0,0,0|1,0,1]=2 3 B12R1.78 COC1=C(C=O)C=CC(C#N)=C1 17019 [0,0,0,0,0,0|3,0,1]=4 4 B12R1.78 COC1=C(OC)C=C(C#N)C=C1 8124 [0,0,0,0,0,0|1,0,1]=2 5 B12R1.78 COC1=C(OC)C=C(C=O)C=C1 8238 [0,0,0,0,0,0|0,0,0]=0 6 B12R1.78 COC1=C(OC)C=C(CCl)C=C1 13181 [0,0,0,0,0,0|1,0,1]=2 7 B12R1.78 COC1=C(OC)C=C(CN)C=C1 7394 [0,0,0,0,0,0|1,0,1]=2 8 B12R1.78 COC1=C(OC)C=C(CO)C=C1 7452 [0,0,0,0,0,0|0,0,2]=2 9 B12R1.78 COC1=CC(C#N)=C(OC)C=C1 13109 [0,0,0,0,0,0|4,0,0]=4 10 B12R1.78 COC1=CC(C=O)=C(OC)C=C1 2176 [0,0,0,0,0,0|4,0,0]=4 11 B12R1.78 COC1=CC(CN)=C(OC)C=C1 7396 [0,0,0,0,0,0|4,0,0]=4 12 B12R1.78 COC1=CC(OC)=C(C#N)C=C1 13105 [0,0,0,0,0,0|4,0,0]=4 13 B12R1.78 COC1=CC(OC)=C(C=O)C=C1 8220 [0,0,0,0,0,0|4,0,0]=4 14 B12R1.78 COC1=CC(OC)=C(CCl)C=C1 27178 [0,0,0,0,0,0|4,0,0]=4 15 B12R1.78 COC1=CC(OC)=C(CN)C=C1 7397 [0,0,0,0,0,0|4,0,0]=4 16 B12R1.78 COC1=CC(OC)=C(CN)C=C1 7398 [0,0,0,0,0,0|4,0,0]=4 17 B12R1.78 COC1=CC(OC)=C(CO)C=C1 7454 [0,0,0,0,0,0|4,0,0]=4 18 B11R1.37 C#CC1=C(OC)C=C(O)C=C1 45209 [1,0,0,0,0,0|1,0,2]=4 19 B11R1.37 COC1=C(C#N)C=C(Br)C=C1 33822 [1,0,0,0,0,0|3,0,0]=4 20 B11R1.37 COC1=C(C#N)C=C(Cl)C=C1 3662 [1,0,0,0,0,0|3,0,0]=4 21 B11R1.37 COC1=C(C#N)C=C(F)C=C1 3502 [1,0,0,0,0,0|3,0,0]=4 22 B11R1.37 COC1=C(C#N)C=C(I)C=C1 8166 [1,0,0,0,0,0|3,0,0]=4 23 B11R1.37 COC1=C(C#N)C=CC(Br)=C1 12802 [1,0,0,0,0,0|3,0,0]=4 24 B11R1.37 COC1=C(C#N)C=CC(C)=C1 28757 [1,0,0,0,0,0|2,0,1]=4 25 B11R1.37 COC1=C(C#N)C=CC(F)=C1 4786 [1,0,0,0,0,0|3,0,0]=4 26 B11R1.37 COC1=C(C#N)C=CC(O)=C1 27703 [1,0,0,0,0,0|2,0,1]=4 27 B11R1.37 COC1=C(C=O)C=C(Br)C=C1 2644 [1,0,0,0,0,0|3,0,0]=4 28 B11R1.37 COC1=C(C=O)C=C(Cl)C=C1 2639 [1,0,0,0,0,0|3,0,0]=4 29 B11R1.37 COC1=C(C=O)C=C(F)C=C1 2636 [1,0,0,0,0,0|3,0,0]=4 30 B11R1.37 COC1=C(C=O)C=CC(Br)=C1 30906 [1,0,0,0,0,0|3,0,0]=4 31 B11R1.37 COC1=C(C=O)C=CC(C)=C1 18122 [1,0,0,0,0,0|2,0,1]=4 32 B11R1.37 COC1=C(C=O)C=CC(Cl)=C1 28397 [1,0,0,0,0,0|3,0,0]=4 33 B11R1.37 COC1=C(C=O)C=CC(F)=C1 2635 [1,0,0,0,0,0|3,0,0]=4 34 B11R1.37 COC1=C(C=O)C=CC(O)=C1 8130 [1,0,0,0,0,0|2,0,1]=4 35 B11R1.37 COC1=C(CBr)C=C(F)C=C1 4924 [1,0,0,0,0,0|3,0,0]=4 36 B11R1.37 COC1=C(CBr)C=CC(Br)=C1 31309 [1,0,0,0,0,0|3,0,0]=4 37 B11R1.37 COC1=C(CBr)C=CC(F)=C1 31307 [1,0,0,0,0,0|3,0,0]=4 38 B11R1.37 COC1=C(CN)C=CC(F)=C1 31244 [1,0,0,0,0,0|3,0,0]=4 39 B11R1.37 COC1=C(CO)C=C(Br)C=C1 4888 [1,0,0,0,0,0|3,0,0]=4 40 B11R1.37 COC1=C(CO)C=C(F)C=C1 27472 [1,0,0,0,0,0|3,0,0]=4 41 B11R1.37 COC1=C(CO)C=CC(F)=C1 31306 [1,0,0,0,0,0|3,0,0]=4 42 B11R1.37 COC1=C(NN)C=C(Cl)C=C1 4473 [1,0,0,0,0,0|3,0,0]=4 43 B11R1.37 COC1=C(NN)C=CC(Cl)=C1 34865 [1,0,0,0,0,0|3,0,0]=4 44 B11R1.37 COC1=C(OC)C=C(Br)C=C1 3037 [1,0,0,0,0,0|1,0,0]=2 45 B11R1.37 COC1=C(OC)C=C(C)C=C1 23595 [1,0,0,0,0,0|0,0,1]=2 46 B11R1.37 COC1=C(OC)C=C(Cl)C=C1 25469 [1,0,0,0,0,0|1,0,0]=2 47 B11R1.37 COC1=C(OC)C=C(I)C=C1 3052 [1,0,0,0,0,0|1,0,0]=2 48 B11R1.37 COC1=C(OC)C=C(N)C=C1 22907 [1,0,0,0,0,0|1,0,0]=2 49 B11R1.37 COC1=C(OC)C=C(O)C=C1 4113 [1,0,0,0,0,0|0,0,1]=2 50 B11R1.37 COC1=C(OC)C=C(S)C=C1 6823 [1,0,0,0,0,0|0,1,0]=2 51 B11R1.37 COC1=CC(Cl)=CN=C1OC 26919 [1,0,0,0,0,0|2,0,0]=3 52 B11R1.37 COC1=CC=C(F)C=C1OC 3048 [1,0,0,0,0,0|1,0,0]=2 53 B11R1.279 CC1=C(C#N)C=CC(C=O)=C1 30973 [1,0,0,0,0,0|2,0,0]=3 54 B11R1.279 COC1=C(Br)C=C(C#N)C=C1 3795 [1,0,0,0,0,0|2,0,1]=4 55 B11R1.279 COC1=C(Br)C=C(C=O)C=C1 2643 [1,0,0,0,0,0|1,0,0]=2 56 B11R1.279 COC1=C(C)C=C(C=O)C=C1 14879 [1,0,0,0,0,0|0,0,0]=1 57 B11R1.279 COC1=C(C)C=C(CO)C=C1 24130 [1,0,0,0,0,0|0,0,2]=3 58 B11R1.279 COC1=C(Cl)C=C(C#N)C=C1 3661 [1,0,0,0,0,0|2,0,1]=4 59 B11R1.279 COC1=C(Cl)C=C(C=O)C=C1 2638 [1,0,0,0,0,0|1,0,0]=2 60 B11R1.279 COC1=C(Cl)C=C(CBr)C=C1 31299 [1,0,0,0,0,0|2,0,1]=4 61 B11R1.279 COC1=C(Cl)C=C(NN)C=C1 35436 [1,0,0,0,0,0|3,0,0]=4 62 B11R1.279 COC1=C(F)C=C(C#N)C=C1 18462 [1,0,0,0,0,0|2,0,1]=4 63 B11R1.279 COC1=C(F)C=C(C=O)C=C1 1448 [1,0,0,0,0,0|1,0,0]=2 64 B11R1.279 COC1=C(F)C=C(CBr)C=C1 4923 [1,0,0,0,0,0|2,0,1]=4 65 B11R1.279 COC1=C(N)C=C(C=O)C=C1 19765 [1,0,0,0,0,0|1,0,0]=2 66 B11R1.279 COC1=C(O)C=C(C#N)C=C1 4806 [1,0,0,0,0,0|1,0,1]=3 67 B11R1.279 COC1=C(O)C=C(C=O)C=C1 7770 [1,0,0,0,0,0|0,0,0]=1 68 B11R1.279 COC1=C(O)C=C(CO)C=C1 15050 [1,0,0,0,0,0|0,0,2]=3 69 B11R1.279 COC1=CC(Br)=C(OC)C=C1 19785 [1,0,0,0,0,0|3,0,0]=4 70 B11R1.279 COC1=CC(C)=C(OC)C=C1 4543 [1,0,0,0,0,0|2,0,0]=3 71 B11R1.279 COC1=CC(F)=C(OC)C=C1 3050 [1,0,0,0,0,0|3,0,0]=4 72 B11R1.279 COC1=CC(N)=C(OC)C=C1 25396 [1,0,0,0,0,0|3,0,0]=4 73 B11R1.279 COC1=CC(O)=C(OC)C=C1 27372 [1,0,0,0,0,0|2,0,0]=3 74 B11R1.279 COC1=CC(S)=C(OC)C=C1 6852 [1,0,0,0,0,0|2,1,0]=4 75 B11R1.279 COC1=NC=C(C=O)C=C1Cl 17090 [1,0,0,0,0,0|2,0,0]=3 76 B11R1.279 COc1ccc(CN)cc1F 31259 [1,0,0,0,0,0|2,0,1]=4 77 B11R1.279 N#CC1=C(F)C=C(C=O)C=C1 30922 [1,0,0,0,0,0|3,0,0]=4 78 B11R1.280 CCC1=C(O)C=CC(C=O)=C1 28101 [1,0,0,0,0,0|1,0,0]=2 79 B11R1.280 CCC1=CC(OC)=C(Cl)C=C1 5280 [1,0,0,0,0,0|2,0,1]=4 80 B11R1.280 COC1=C(Br)C=CC(C#N)=C1 28722 [1,0,0,0,0,0|2,0,1]=4 81 B11R1.280 COC1=C(Br)C=CC(C=O)=C1 30968 [1,0,0,0,0,0|1,0,0]=2 82 B11R1.280 COC1=C(Br)C=CC(CO)=C1 31324 [1,0,0,0,0,0|1,0,2]=4 83 B11R1.280 COC1=C(C)C=CC(C#N)=C1 28758 [1,0,0,0,0,0|1,0,1]=3 84 B11R1.280 COC1=C(C)C=CC(C=O)=C1 2646 [1,0,0,0,0,0|0,0,0]=1 85 B11R1.280 COC1=C(Cl)C=CC(C#N)=C1 18681 [1,0,0,0,0,0|2,0,1]=4 86 B11R1.280 COC1=C(Cl)C=CC(C=O)=C1 30916 [1,0,0,0,0,0|1,0,0]=2 87 B11R1.280 COC1=C(F)C=CC(C#N)=C1 3501 [1,0,0,0,0,0|2,0,1]=4 88 B11R1.280 COC1=C(F)C=CC(C=O)=C1 1449 [1,0,0,0,0,0|1,0,0]=2 89 B11R1.280 COC1=C(F)C=CC(CBr)=C1 27471 [1,0,0,0,0,0|2,0,1]=4 90 B11R1.280 COC1=C(F)C=CC(CN)=C1 27537 [1,0,0,0,0,0|2,0,1]=4 91 B11R1.280 COC1=C(F)C=CC(CO)=C1 7734 [1,0,0,0,0,0|1,0,2]=4 92 B11R1.280 COC1=C(O)C=CC(C#N)=C1 13112 [1,0,0,0,0,0|1,0,1]=3 93 B11R1.280 COC1=C(O)C=CC(C=O)=C1 25440 [1,0,0,0,0,0|0,0,0]=1 94 B11R1.280 COC1=C(O)C=CC(CN)=C1 7385 [1,0,0,0,0,0|1,0,1]=3 95 B11R1.280 COC1=CC(OC)=C(Br)C=C1 3036 [1,0,0,0,0,0|3,0,0]=4 96 B11R1.280 COC1=CC(OC)=C(Cl)C=C1 3041 [1,0,0,0,0,0|3,0,0]=4 97 B11R1.280 COC1=CC(OC)=C(F)C=C1 28466 [1,0,0,0,0,0|3,0,0]=4 98 B11R1.280 COC1=CC(OC)=C(I)C=C1 3053 [1,0,0,0,0,0|3,0,0]=4 99 B11R1.280 COC1=CC(OC)=C(N)C=C1 16639 [1,0,0,0,0,0|3,0,0]=4 100 B11R1.280 COC1=CC(OC)=C(S)C=C1 6882 [1,0,0,0,0,0|2,1,0]=4 101 B11R1.280 N#CC1=C(Br)C=CC(C=O)=C1 30993 [1,0,0,0,0,0|3,0,0]=4 102 B11R1.280 N#CC1=C(F)C=CC(C=O)=C1 2252 [1,0,0,0,0,0|3,0,0]=4 103 B13R1.99 COC1=C(B(O)O)C=CC(C=O)=C1 36300 [0,1,0,0,0,0|2,0,0]=3 104 B13R1.99 COC1=CC(OC)=C(C(C)=O)C=C1 10582 [0,1,0,0,0,0|3,0,0]=4 105 B13R1.355 CCOC1=C(OC)C=CC(C#N)=C1 28743 [0,1,0,0,0,0|1,0,1]=3 106 B13R1.355 CCOC1=C(OC)C=CC(C=O)=C1 13135 [0,1,0,0,0,0|0,0,0]=1 107 B13R1.386 CCOC1=CC(OC)=C(OC)C=C1 3044 [0,1,0,0,0,0|1,0,1]=3 108 B13R1.386 COC1=C(OC)C=C(CC#N)C=C1 20538 [0,1,0,0,0,0|1,0,1]=3 109 B13R1.386 COC1=C(OC)C=C(CCN)C=C1 22139 [0,1,0,0,0,0|1,0,1]=3 110 B13R1.386 COC1=C(OC)C=C(CCO)C=C1 28132 [0,1,0,0,0,0|0,0,2]=3 111 B13R1.386 COC1=C(OC)C=C(N=C=O)C=C1 35593 [0,1,0,0,0,0|0,0,1]=2 112 B13R1.434 COC1=C(OC)C(I)=CC(C=O)=C1 30894 [0,1,0,0,0,0|0,0,0]=1 113 B13R1.434 COC1=C(OC)C(O)=CC(C=O)=C1 8241 [0,1,0,0,0,0|0,0,0]=1 114 B13R1.434 COC1=CC(C=O)=CC(Br)=C1OC 25905 [0,1,0,0,0,0|0,0,0]=1 115 B13R1.1249 CCOC1=C(OC)C=C(C=O)C=C1 2648 [0,1,0,0,0,0|0,0,0]=1 116 B13R1.1249 CCOC1=C(OC)C=C(OC)C=C1 3045 [0,1,0,0,0,0|2,0,0]=3 117 B13R1.2200 COC1=C(OC)C=C(C=O)C(Br)=C1 8209 [0,1,0,0,0,0|0,0,0]=1 118 B13R1.2200 COC1=C(OC)C=C(C=O)C(F)=C1 2651 [0,1,0,0,0,0|0,0,0]=1 119 B13R1.2200 COC1=CC(F)=C(C#N)C=C1OC 3465 [0,1,0,0,0,0|1,0,1]=3 120 B13R1.2200 COC1=CC(N)=C(C#N)C=C1OC 4632 [0,1,0,0,0,0|1,0,1]=3 121 B13R1.2422 COC1=C(OC)C(Cl)=C(C=O)C=C1 7759 [0,1,0,0,0,0|0,0,0]=1 122 B13R1.2422 COC1=C(OC)C(Cl)=C(CBr)C=C1 35165 [0,1,0,0,0,0|1,0,1]=3 123 B13R1.2422 COC1=C(OC)C(Cl)=C(CCl)C=C1 35167 [0,1,0,0,0,0|1,0,1]=3 124 B13R1.2430 COC1=C(B(O)O)C=C(C=O)C=C1 7991 [0,1,0,0,0,0|2,0,0]=3 125 B13R1.2430 COC1=C(C(=O)O)C=C(C=O)C=C1 19969 [0,1,0,0,0,0|2,0,0]=3 126 B13R1.2430 COC1=C([N+](=O)[O-])C=C(C=O)C=C1 8145 [0,1,0,0,0,0|2,0,0]=3 127 B13R1.2430 COC1=CC(C(C)=O)=C(OC)C=C1 13430 [0,1,0,0,0,0|3,0,0]=4 128 B13R1.3091 COC1=C(C=O)C=CC(C(=O)O)=C1 30753 [0,1,0,0,0,0|2,0,0]=3 129 B13R1.3091 COC1=C(C=O)C=CC([N+](=O)[O-])=C1 14276 [0,1,0,0,0,0|3,0,0]=4 130 B13R1.3091 COC1=C(CCl)C=C(C(C)=O)C=C1 24417 [0,1,0,0,0,0|2,0,0]=3 131 B13R1.3091 COC1=C(OC)C=C(B(O)O)C=C1 1826 [0,1,0,0,0,0|1,0,1]=3 132 B13R1.3091 COC1=C(OC)C=C(C(=N)N)C=C1 19820 [0,1,0,0,0,0|1,0,0]=2 133 B13R1.3091 COC1=C(OC)C=C(C(=O)O)C=C1 13788 [0,1,0,0,0,0|0,0,0]=1 134 B13R1.3091 COC1=C(OC)C=C(C(C)=O)C=C1 10581 [0,1,0,0,0,0|0,0,0]=1 135 B13R1.3091 COC1=C(OC)C=C([N+](=O)[O-])C=C1 19761 [0,1,0,0,0,0|1,0,0]=2 136 B13R1.3091 COC1=CC(C(=O)O)=CN=C1OC 27242 [0,1,0,0,0,0|1,0,0]=2 137 B13R2.57 C#[N+]C1=CC2=C(C=C1)OCCO2 16170 [0,0,0,1,0,0|2,0,0]=3 138 B13R2.57 COC1=CC2=C(C=C1)OCCN2 22544 [0,0,0,1,0,0|3,0,0]=4 139 B13R2.57 N#CC1=CN=C2OCCOC2=C1 26745 [0,0,0,1,0,0|2,0,1]=4 140 B13R2.57 O=CC1=CC2=C(C=C1)OCCO2 14513 [0,0,0,1,0,0|0,0,0]=1 141 B13R2.57 O=CC1=CC2=C(C=N1)OCCO2 17718 [0,0,0,1,0,0|1,0,0]=2 142 B13R2.57 O=CC1=CN=C2OCCOC2=C1 26821 [0,0,0,1,0,0|1,0,0]=2 143 B13R2.57 OCC1=CN=C2OCCOC2=C1 26744 [0,0,0,1,0,0|1,0,2]=4 144 B13R2.669 CC1=NNC2=CC=C(C=O)C=C21 32536 [0,0,0,1,0,0|3,0,0]=4 145 B10R1.20 COC1=C(C#N)C=CC=C1 4812 [2,0,0,0,0,0|2,0,0]=4 146 B10R1.20 COC1=C(C=O)C=CC=C1 7413 [2,0,0,0,0,0|2,0,0]=4 147 B10R1.20 COC1=C(CBr)C=CC=C1 14738 [2,0,0,0,0,0|2,0,0]=4 148 B10R1.20 COC1=C(CCl)C=CC=C1 4651 [2,0,0,0,0,0|2,0,0]=4 149 B10R1.20 COC1=C(CN)C=CC=C1 7402 [2,0,0,0,0,0|2,0,0]=4 150 B10R1.20 COC1=C(CO)C=CC=C1 7736 [2,0,0,0,0,0|2,0,0]=4 151 B10R1.20 COC1=C(NN)C=CC=C1 16110 [2,0,0,0,0,0|2,0,0]=4 152 B10R1.20 COC1=C(NN)C=CC=C1 4496 [2,0,0,0,0,0|2,0,0]=4 153 B10R1.20 COC1=C(OC)C=CC=C1 15018 [2,0,0,0,0,0|0,0,0]=2 154 B10R1.20 COC1=C(SC)C=CC=C1 10651 [2,0,0,0,0,0|0,1,0]=3 155 B10R1.20 COC1=CC=CN=C1OC 2412 [2,0,0,0,0,0|1,0,0]=3 156 B10R1.25 COC1=C(Br)C=C(Br)C=C1 3847 [2,0,0,0,0,0|2,0,0]=4 157 B10R1.25 COC1=C(Br)C=C(C)C=C1 3797 [2,0,0,0,0,0|1,0,1]=4 158 B10R1.25 COC1=C(Br)C=C(Cl)C=C1 2629 [2,0,0,0,0,0|2,0,0]=4 159 B10R1.25 COC1=C(Br)C=C(F)C=C1 1972 [2,0,0,0,0,0|2,0,0]=4 160 B10R1.25 COC1=C(Br)C=C(N)C=C1 16856 [2,0,0,0,0,0|2,0,0]=4 161 B10R1.25 COC1=C(Br)C=C(O)C=C1 31091 [2,0,0,0,0,0|1,0,1]=4 162 B10R1.25 COC1=C(C)C=C(Br)C=C1 3798 [2,0,0,0,0,0|1,0,0]=3 163 B10R1.25 COC1=C(C)C=C(C)C=C1 5359 [2,0,0,0,0,0|0,0,1]=3 164 B10R1.25 COC1=C(C)C=C(Cl)C=C1 2665 [2,0,0,0,0,0|1,0,0]=3 165 B10R1.25 COC1=C(C)C=C(F)C=C1 2622 [2,0,0,0,0,0|1,0,0]=3 166 B10R1.25 COC1=C(C)C=C(N)C=C1 15790 [2,0,0,0,0,0|1,0,0]=3 167 B10R1.25 COC1=C(C)C=C(O)C=C1 33186 [2,0,0,0,0,0|0,0,1]=3 168 B10R1.25 COC1=C(Cl)C=C(Br)C=C1 2630 [2,0,0,0,0,0|2,0,0]=4 169 B10R1.25 COC1=C(Cl)C=C(C)C=C1 27687 [2,0,0,0,0,0|1,0,1]=4 170 B10R1.25 COC1=C(Cl)C=C(F)C=C1 2658 [2,0,0,0,0,0|2,0,0]=4 171 B10R1.25 COC1=C(Cl)C=C(N)C=C1 17270 [2,0,0,0,0,0|2,0,0]=4 172 B10R1.25 COC1=C(Cl)C=C(O)C=C1 33443 [2,0,0,0,0,0|1,0,1]=4 173 B10R1.25 COC1=C(F)C=C(Br)C=C1 1971 [2,0,0,0,0,0|2,0,0]=4 174 B10R1.25 COC1=C(F)C=C(C)C=C1 24850 [2,0,0,0,0,0|1,0,1]=4 175 B10R1.25 COC1=C(F)C=C(Cl)C=C1 2662 [2,0,0,0,0,0|2,0,0]=4 176 B10R1.25 COC1=C(F)C=C(F)C=C1 3455 [2,0,0,0,0,0|2,0,0]=4 177 B10R1.25 COC1=C(F)C=C(N)C=C1 2125 [2,0,0,0,0,0|2,0,0]=4 178 B10R1.25 COC1=C(F)C=C(O)C=C1 2369 [2,0,0,0,0,0|1,0,1]=4 179 B10R1.25 COC1=C(F)C=C(S)C=C1 6875 [2,0,0,0,0,0|1,1,0]=4 180 B10R1.25 COC1=C(I)C=C(Cl)C=C1 14310 [2,0,0,0,0,0|2,0,0]=4 181 B10R1.25 COC1=C(I)C=C(N)C=C1 3307 [2,0,0,0,0,0|2,0,0]=4 182 B10R1.25 COC1=C(I)C=C(N)C=C1 3310 [2,0,0,0,0,0|2,0,0]=4 183 B10R1.25 COC1=C(N)C=C(F)C=C1 2256 [2,0,0,0,0,0|2,0,0]=4 184 B10R1.25 COC1=C(N)C=C(I)C=C1 28345 [2,0,0,0,0,0|2,0,0]=4 185 B10R1.25 COC1=C(N)C=C(N)C=C1 1905 [2,0,0,0,0,0|2,0,0]=4 186 B10R1.25 COC1=C(N)C=C(N)C=C1 24784 [2,0,0,0,0,0|2,0,0]=4 187 B10R1.25 COC1=C(N)C=C(N)C=C1 4107 [2,0,0,0,0,0|2,0,0]=4 188 B10R1.25 COC1=C(O)C=C(Br)C=C1 26431 [2,0,0,0,0,0|1,0,0]=3 189 B10R1.25 COC1=C(O)C=C(C)C=C1 31088 [2,0,0,0,0,0|0,0,1]=3 190 B10R1.25 COC1=C(O)C=C(F)C=C1 3882 [2,0,0,0,0,0|1,0,0]=3 191 B10R1.25 COC1=C(O)C=C(N)C=C1 3112 [2,0,0,0,0,0|1,0,0]=3 192 B10R1.25 COC1=CC=C(N)N=C1C 6638 [2,0,0,0,0,0|2,0,0]=4 193 B10R1.25 COC1=NC=C(Br)C=C1C 22058 [2,0,0,0,0,0|2,0,0]=4 194 B10R1.25 COC1=NC=C(Cl)C=C1O 26938 [2,0,0,0,0,0|2,0,0]=4 195 B10R1.25 COC1=NC=C(F)C=C1C 6603 [2,0,0,0,0,0|2,0,0]=4 196 B10R1.25 COC1=NC=C(F)C=C1O 15267 [2,0,0,0,0,0|2,0,0]=4 197 B10R1.25 COC1=NC=C(N)C=C1C 1268 [2,0,0,0,0,0|2,0,0]=4 198 B10R1.25 COc1ccc(Cl)cc1O 31127 [2,0,0,0,0,0|1,0,0]=3 199 B10R1.25 CSC1=C(C)C=C(O)C=C1 10656 [2,0,0,0,0,0|0,1,1]=4 200 B10R1.30 CNC1=C(O)C=CC(N)=C1 20872 [2,0,0,0,0,0|2,0,0]=4 201 B10R1.30 COC1=C(Br)C=CC(Br)=C1 5357 [2,0,0,0,0,0|2,0,0]=4 202 B10R1.30 COC1=C(Br)C=CC(C)=C1 4136 [2,0,0,0,0,0|1,0,1]=4 203 B10R1.30 COC1=C(Br)C=CC(Cl)=C1 5265 [2,0,0,0,0,0|2,0,0]=4 204 B10R1.30 COC1=C(Br)C=CC(F)=C1 4091 [2,0,0,0,0,0|2,0,0]=4 205 B10R1.30 COC1=C(Br)C=CC(I)=C1 5333 [2,0,0,0,0,0|2,0,0]=4 206 B10R1.30 COC1=C(Br)C=CC(N)=C1 3794 [2,0,0,0,0,0|2,0,0]=4 207 B10R1.30 COC1=C(Br)C=CC(O)=C1 13260 [2,0,0,0,0,0|1,0,1]=4 208 B10R1.30 COC1=C(C)C=CC(Br)=C1 25292 [2,0,0,0,0,0|1,0,0]=3 209 B10R1.30 COC1=C(C)C=CC(C)=C1 5360 [2,0,0,0,0,0|0,0,1]=3 210 B10R1.30 COC1=C(C)C=CC(Cl)=C1 2667 [2,0,0,0,0,0|1,0,0]=3 211 B10R1.30 COC1=C(C)C=CC(F)=C1 2624 [2,0,0,0,0,0|1,0,0]=3 212 B10R1.30 COC1=C(C)C=CC(N)=C1 3329 [2,0,0,0,0,0|1,0,0]=3 213 B10R1.30 COC1=C(Cl)C=CC(Br)=C1 2632 [2,0,0,0,0,0|2,0,0]=4 214 B10R1.30 COC1=C(Cl)C=CC(C)=C1 5299 [2,0,0,0,0,0|1,0,1]=4 215 B10R1.30 COC1=C(Cl)C=CC(Cl)=C1 3681 [2,0,0,0,0,0|2,0,0]=4 216 B10R1.30 COC1=C(Cl)C=CC(F)=C1 2659 [2,0,0,0,0,0|2,0,0]=4 217 B10R1.30 COC1=C(Cl)C=CC(I)=C1 5289 [2,0,0,0,0,0|2,0,0]=4 218 B10R1.30 COC1=C(Cl)C=CC(N)=C1 3659 [2,0,0,0,0,0|2,0,0]=4 219 B10R1.30 COC1=C(Cl)C=CC(O)=C1 28110 [2,0,0,0,0,0|1,0,1]=4 220 B10R1.30 COC1=C(F)C=CC(Br)=C1 18513 [2,0,0,0,0,0|2,0,0]=4 221 B10R1.30 COC1=C(F)C=CC(C)=C1 8487 [2,0,0,0,0,0|1,0,1]=4 222 B10R1.30 COC1=C(F)C=CC(F)=C1 3456 [2,0,0,0,0,0|2,0,0]=4 223 B10R1.30 COC1=C(F)C=CC(N)=C1 14566 [2,0,0,0,0,0|2,0,0]=4 224 B10R1.30 COC1=C(F)C=CC(N)=C1 3022 [2,0,0,0,0,0|2,0,0]=4 225 B10R1.30 COC1=C(F)C=CC(O)=C1 14358 [2,0,0,0,0,0|1,0,1]=4 226 B10R1.30 COC1=C(I)C=CC(Br)=C1 28357 [2,0,0,0,0,0|2,0,0]=4 227 B10R1.30 COC1=C(I)C=CC(Cl)=C1 5293 [2,0,0,0,0,0|2,0,0]=4 228 B10R1.30 COC1=C(I)C=CC(I)=C1 28130 [2,0,0,0,0,0|2,0,0]=4 229 B10R1.30 COC1=C(I)C=CC(N)=C1 5352 [2,0,0,0,0,0|2,0,0]=4 230 B10R1.30 COC1=C(N)C=CC(Br)=C1 2258 [2,0,0,0,0,0|2,0,0]=4 231 B10R1.30 COC1=C(N)C=CC(F)=C1 28343 [2,0,0,0,0,0|2,0,0]=4 232 B10R1.30 COC1=C(N)C=CC(I)=C1 25591 [2,0,0,0,0,0|2,0,0]=4 233 B10R1.30 COC1=C(N)C=CC(O)=C1 18733 [2,0,0,0,0,0|1,0,1]=4 234 B10R1.30 COC1=C(N)C=CC(O)=C1 26950 [2,0,0,0,0,0|1,0,1]=4 235 B10R1.30 COC1=C(O)C=CC(Br)=C1 17271 [2,0,0,0,0,0|1,0,0]=3 236 B10R1.30 COC1=C(O)C=CC(Cl)=C1 3665 [2,0,0,0,0,0|1,0,0]=3 237 B10R1.30 COC1=C(O)C=CC(F)=C1 3880 [2,0,0,0,0,0|1,0,0]=3 238 B10R1.30 COC1=C(O)C=CC(I)=C1 17587 [2,0,0,0,0,0|1,0,0]=3 239 B10R1.30 COC1=C(O)C=CC(N)=C1 14144 [2,0,0,0,0,0|1,0,0]=3 240 B10R1.30 COC1=C(O)C=CC(N)=C1 33372 [2,0,0,0,0,0|1,0,0]=3 241 B10R1.3 CCC1=CC=C(C=O)C=C1 3072 [2,0,0,0,0,0|1,0,0]=3 242 B10R1.3 CCC1=CC=C(OC)C=C1 25322 [2,0,0,0,0,0|1,0,1]=4 243 B10R1.3 CNC1=CC=C(OC)C=C1 25931 [2,0,0,0,0,0|2,0,0]=4 244 B10R1.3 COC1=CC=C(C#N)C=C1 8162 [2,0,0,0,0,0|1,0,1]=4 245 B10R1.3 COC1=CC=C(C=O)C=C1 22535 [2,0,0,0,0,0|0,0,0]=2 246 B10R1.3 COC1=CC=C(C=O)C=N1 5152 [2,0,0,0,0,0|1,0,0]=3 247 B10R1.3 COC1=CC=C(CBr)C=C1 15882 [2,0,0,0,0,0|1,0,1]=4 248 B10R1.3 COC1=CC=C(CCl)C=C1 18654 [2,0,0,0,0,0|1,0,1]=4 249 B10R1.3 COC1=CC=C(CN)C=C1 4428 [2,0,0,0,0,0|1,0,1]=4 250 B10R1.3 COC1=CC=C(CO)C=C1 19100 [2,0,0,0,0,0|0,0,2]=4 251 B10R1.3 COC1=CC=C(CS)C=C1 6839 [2,0,0,0,0,0|0,1,1]=4 252 B10R1.3 COC1=CC=C(NN)C=C1 4498 [2,0,0,0,0,0|2,0,0]=4 253 B10R1.3 COC1=CC=C(SC)C=C1 10655 [2,0,0,0,0,0|2,0,0]=4 254 B10R1.3 COC1=CN=C(C=O)C=C1 24092 [2,0,0,0,0,0|1,0,0]=3 255 B10R1.3 COC1=NC=C(C=O)C=N1 5296 [2,0,0,0,0,0|2,0,0]=4 256 B10R1.3 CSC1=CC=C(C=O)C=C1 10796 [2,0,0,0,0,0|0,1,0]=3 257 B10R1.3 N#CC1=CC=C(C=O)C=C1 3118 [2,0,0,0,0,0|2,0,0]=4 258 B10R1.3 O=CC1=CC=C(C=O)C=C1 35665 [2,0,0,0,0,0|2,0,0]=4 259 B10R1.3 O=CC1=CC=C(CBr)C=C1 19839 [2,0,0,0,0,0|2,0,0]=4 260 B10R1.3 O=CC1=CC=C(CCl)C=C1 30942 [2,0,0,0,0,0|2,0,0]=4 261 B10R1.176 C=CC1=CC(O)=C(O)C=C1 35519 [2,0,0,0,0,0|1,0,0]=3 262 B10R1.176 CC1=C(Br)C=C(C=O)C=C1 24757 [2,0,0,0,0,0|1,0,0]=3 263 B10R1.176 CC1=C(Br)C=CC(C=O)=C1 30935 [2,0,0,0,0,0|1,0,0]=3 264 B10R1.176 CC1=C(C)C=C(C#N)C=C1 14892 [2,0,0,0,0,0|1,0,1]=4 265 B10R1.176 CC1=C(C)C=C(C=O)C=C1 2535 [2,0,0,0,0,0|0,0,0]=2 266 B10R1.176 CC1=C(C)C=C(CCl)C=C1 14890 [2,0,0,0,0,0|1,0,1]=4 267 B10R1.176 CC1=C(C)C=C(CN)C=C1 4412 [2,0,0,0,0,0|1,0,1]=4 268 B10R1.176 CC1=C(C)C=C(CO)C=C1 2161 [2,0,0,0,0,0|0,0,2]=4 269 B10R1.176 CC1=C(C)C=C(NN)C=C1 19865 [2,0,0,0,0,0|2,0,0]=4 270 B10R1.176 CC1=C(C)C=C(NN)C=C1 21448 [2,0,0,0,0,0|2,0,0]=4 271 B10R1.176 CC1=C(C)C=C(NN)C=C1 7555 [2,0,0,0,0,0|2,0,0]=4 272 B10R1.176 CC1=C(Cl)C=C(C=O)C=C1 4183 [2,0,0,0,0,0|1,0,0]=3 273 B10R1.176 CC1=C(Cl)C=CC(C=O)=C1 28400 [2,0,0,0,0,0|1,0,0]=3 274 B10R1.176 CC1=C(F)C=C(C=O)C=C1 1454 [2,0,0,0,0,0|1,0,0]=3 275 B10R1.176 CC1=C(F)C=CC(C=O)=C1 1457 [2,0,0,0,0,0|1,0,0]=3 276 B10R1.176 CC1=C(O)C=C(C#N)C=C1 19802 [2,0,0,0,0,0|1,0,1]=4 277 B10R1.176 CC1=C(O)C=CC(C=O)=C1 8134 [2,0,0,0,0,0|0,0,0]=2 278 B10R1.176 CC1=CC(C=O)=CN=C1Br 19576 [2,0,0,0,0,0|2,0,0]=4 279 B10R1.176 CC1=CC(C=O)=CN=C1F 17126 [2,0,0,0,0,0|2,0,0]=4 280 B10R1.176 CC1=CC(C=O)=CN=C1O 27644 [2,0,0,0,0,0|1,0,0]=3 281 B10R1.176 CCC1=CC=C(O)C(O)=C1 28104 [2,0,0,0,0,0|1,0,1]=4 282 B10R1.176 COC1=CC(C)=C(C)C=C1 5361 [2,0,0,0,0,0|2,0,0]=4 283 B10R1.176 COC1=CC(C)=C(O)C=C1 31104 [2,0,0,0,0,0|2,0,0]=4 284 B10R1.176 COC1=CC(O)=C(C)C=C1 31114 [2,0,0,0,0,0|2,0,0]=4 285 B10R1.176 COC1=CC=C(O)C(O)=C1 33439 [2,0,0,0,0,0|2,0,0]=4 286 B10R1.176 N#CC1=CC(O)=C(O)C=C1 3120 [2,0,0,0,0,0|1,0,1]=4 287 B10R1.176 NCC1=CC(O)=C(O)C=C1 21986 [2,0,0,0,0,0|1,0,1]=4 288 B10R1.176 O=CC1=CC(Br)=C(Cl)C=C1 7763 [2,0,0,0,0,0|2,0,0]=4 289 B10R1.176 O=CC1=CC(Br)=C(F)C=C1 2878 [2,0,0,0,0,0|2,0,0]=4 290 B10R1.176 O=CC1=CC(Br)=C(O)C=C1 3778 [2,0,0,0,0,0|1,0,0]=3 291 B10R1.176 O=CC1=CC(Cl)=C(Cl)C=C1 8230 [2,0,0,0,0,0|2,0,0]=4 292 B10R1.176 O=CC1=CC(Cl)=C(F)C=C1 1409 [2,0,0,0,0,0|2,0,0]=4 293 B10R1.176 O=CC1=CC(Cl)=C(O)C=C1 7764 [2,0,0,0,0,0|1,0,0]=3 294 B10R1.176 O=CC1=CC(F)=C(Br)C=C1 4033 [2,0,0,0,0,0|2,0,0]=4 295 B10R1.176 O=CC1=CC(F)=C(Cl)C=C1 1412 [2,0,0,0,0,0|2,0,0]=4 296 B10R1.176 O=CC1=CC(F)=C(F)C=C1 1413 [2,0,0,0,0,0|2,0,0]=4 297 B10R1.176 O=CC1=CC(F)=C(I)C=C1 1440 [2,0,0,0,0,0|2,0,0]=4 298 B10R1.176 O=CC1=CC(F)=C(O)C=C1 1443 [2,0,0,0,0,0|1,0,0]=3 299 B10R1.176 O=CC1=CC(F)=C(O)C=C1 30905 [2,0,0,0,0,0|1,0,0]=3 300 B10R1.176 O=CC1=CC(I)=C(Br)C=C1 28095 [2,0,0,0,0,0|2,0,0]=4 301 B10R1.176 O=CC1=CC(I)=C(Cl)C=C1 28096 [2,0,0,0,0,0|2,0,0]=4 302 B10R1.176 O=CC1=CC(I)=C(F)C=C1 5255 [2,0,0,0,0,0|2,0,0]=4 303 B10R1.176 O=CC1=CC(I)=C(I)C=C1 28094 [2,0,0,0,0,0|2,0,0]=4 304 B10R1.176 O=CC1=CC(O)=C(Br)C=C1 16848 [2,0,0,0,0,0|1,0,0]=3 305 B10R1.176 O=CC1=CC(O)=C(Cl)C=C1 30917 [2,0,0,0,0,0|1,0,0]=3 306 B10R1.176 O=CC1=CC(O)=C(I)C=C1 8597 [2,0,0,0,0,0|1,0,0]=3 307 B10R1.176 O=CC1=CC(O)=C(O)C=C1 8231 [2,0,0,0,0,0|0,0,0]=2 308 B10R1.176 O=CC1=CN=C(O)C(Cl)=C1 17091 [2,0,0,0,0,0|2,0,0]=4 309 B10R1.176 OCC1=CC(O)=C(O)C=C1 3025 [2,0,0,0,0,0|0,0,2]=4 310 B10R1.172 CCC1=CC=CC(C=O)=C1 3073 [2,0,0,0,0,0|1,0,0]=3 311 B10R1.172 COC1=CC(C=O)=NC=C1 27798 [2,0,0,0,0,0|1,0,0]=3 312 B10R1.172 COC1=CC=CC(C#N)=C1 4813 [2,0,0,0,0,0|1,0,1]=4 313 B10R1.172 COC1=CC=CC(C=O)=C1 13614 [2,0,0,0,0,0|0,0,0]=2 314 B10R1.172 COC1=CC=CC(C=O)=N1 15345 [2,0,0,0,0,0|1,0,0]=3 315 B10R1.172 COC1=CC=CC(CBr)=C1 13585 [2,0,0,0,0,0|1,0,1]=4 316 B10R1.172 COC1=CC=CC(CCl)=C1 4653 [2,0,0,0,0,0|1,0,1]=4 317 B10R1.172 COC1=CC=CC(CN)=C1 7401 [2,0,0,0,0,0|1,0,1]=4 318 B10R1.172 COC1=CC=CC(CO)=C1 3095 [2,0,0,0,0,0|0,0,2]=4 319 B10R1.172 COC1=CC=CC(SC)=C1 10653 [2,0,0,0,0,0|2,0,0]=4 320 B10R1.172 COC1=CN=CC(C=O)=C1 27156 [2,0,0,0,0,0|1,0,0]=3 321 B10R1.172 COC1=NC=CC(C=O)=C1 17088 [2,0,0,0,0,0|1,0,0]=3 322 B10R1.172 N#CC1=CC=CC(C=O)=C1 7766 [2,0,0,0,0,0|2,0,0]=4 323 B10R1.172 O=CC1=CC(CBr)=CC=C1 17017 [2,0,0,0,0,0|2,0,0]=4 324 B10R1.172 O=CC1=CC=CC(C=O)=C1 17622 [2,0,0,0,0,0|2,0,0]=4 325 B12R1.46 COC1=C(C(C)=O)C=C(Br)C=C1 29263 [1,1,0,0,0,0|2,0,0]=4 326 B12R1.46 COC1=C(C(C)=O)C=C(Br)C=C1 35096 [1,1,0,0,0,0|2,0,0]=4 327 B12R1.46 COC1=C(C(C)=O)C=C(Cl)C=C1 33633 [1,1,0,0,0,0|2,0,0]=4 328 B12R1.46 COC1=C(C(C)=O)C=C(F)C=C1 29154 [1,1,0,0,0,0|2,0,0]=4 329 B12R1.46 COC1=C(C(C)C)C=C(C)C=C1 44855 [1,1,0,0,0,0|1,0,1]=4 330 B12R1.57 COC1=C(C(C)=O)C=CC(Br)=C1 31217 [1,1,0,0,0,0|2,0,0]=4 331 B12R1.57 COC1=C(C(C)=O)C=CC(F)=C1 13459 [1,1,0,0,0,0|2,0,0]=4 332 B12R1.57 COC1=C(C(C)=O)C=CC(N)=C1 31215 [1,1,0,0,0,0|2,0,0]=4 333 B12R1.448 COC1=C(OC)C=C(Br)C(F)=C1 31170 [1,1,0,0,0,0|1,0,0]=3 334 B12R1.448 COC1=CC(C)=C(Br)C=C1OC 26172 [1,1,0,0,0,0|0,0,1]=3 335 B12R1.448 COC1=CC(C)=C(N)C=C1OC 4424 [1,1,0,0,0,0|0,0,1]=3 336 B12R1.448 COC1=CC(F)=C(F)C=C1OC 3039 [1,1,0,0,0,0|1,0,0]=3 337 B12R1.48 CC(=O)C1=CC(C)=C(C#N)C=C1 28244 [1,1,0,0,0,0|2,0,0]=4 338 B12R1.48 CC1=C(C#N)C=CC(C(=O)O)=C1 14420 [1,1,0,0,0,0|2,0,0]=4 339 B12R1.48 CC1=C(C=O)C=CC(C(=O)O)=C1 30642 [1,1,0,0,0,0|2,0,0]=4 340 B12R1.48 COC1=C(Br)C=C(C(=O)O)C=C1 2675 [1,1,0,0,0,0|1,0,0]=3 341 B12R1.48 COC1=C(Br)C=C(C(C)=O)C=C1 21012 [1,1,0,0,0,0|1,0,0]=3 342 B12R1.48 COC1=C(Br)C=C([N+](=O)[O-])C=C1 4133 [1,1,0,0,0,0|2,0,0]=4 343 B12R1.48 COC1=C(C)C=C(B(O)O)C=C1 33884 [1,1,0,0,0,0|1,0,1]=4 344 B12R1.48 COC1=C(C)C=C([N+](=O)[O-])C=C1 28385 [1,1,0,0,0,0|1,0,0]=3 345 B12R1.48 COC1=C(Cl)C=C(C(C)=O)C=C1 16367 [1,1,0,0,0,0|1,0,0]=3 346 B12R1.48 COC1=C(Cl)C=C([N+](=O)[O-])C=C1 19087 [1,1,0,0,0,0|2,0,0]=4 347 B12R1.48 COC1=C(F)C=C(C(=O)Cl)C=C1 1921 [1,1,0,0,0,0|1,0,0]=3 348 B12R1.48 COC1=C(F)C=C(C(=O)O)C=C1 1393 [1,1,0,0,0,0|1,0,0]=3 349 B12R1.48 COC1=C(F)C=C(C(C)=O)C=C1 3499 [1,1,0,0,0,0|1,0,0]=3 350 B12R1.48 COC1=C(F)C=C([N+](=O)[O-])C=C1 2145 [1,1,0,0,0,0|2,0,0]=4 351 B12R1.48 COC1=C(I)C=C(C(=O)O)C=C1 4973 [1,1,0,0,0,0|1,0,0]=3 352 B12R1.48 COC1=C(I)C=C([N+](=O)[O-])C=C1 5364 [1,1,0,0,0,0|2,0,0]=4 353 B12R1.48 COC1=C(N)C=C(C(=O)O)C=C1 2032 [1,1,0,0,0,0|1,0,0]=3 354 B12R1.48 COC1=C(N)C=C(C(N)=O)C=C1 35459 [1,1,0,0,0,0|1,0,0]=3 355 B12R1.48 COC1=C(N)C=C([N+](=O)[O-])C=C1 11610 [1,1,0,0,0,0|2,0,0]=4 356 B12R1.48 COC1=C(O)C=C(C(=O)O)C=C1 19741 [1,1,0,0,0,0|0,0,0]=2 357 B12R1.48 COC1=CC=C([N+](=O)[O-])N=C1C 6639 [1,1,0,0,0,0|2,0,0]=4 358 B12R1.48 COC1=NC=C(C(=O)O)C=C1Cl 15239 [1,1,0,0,0,0|2,0,0]=4 359 B12R1.48 COC1=NC=C([N+](=O)[O-])C=C1C 3530 [1,1,0,0,0,0|2,0,0]=4 360 B12R1.48 COc1ccc(C(=O)O)cc1Cl 19130 [1,1,0,0,0,0|1,0,0]=3 361 B12R1.114 CCOC1=C(Br)C=C(C=O)C=C1 2640 [1,1,0,0,0,0|1,0,0]=3 362 B12R1.288 COC1=C(C)C=C(CC#N)C=C1 31493 [1,1,0,0,0,0|1,0,1]=4 363 B12R1.288 COC1=C(O)C=C(CCN)C=C1 19594 [1,1,0,0,0,0|1,0,1]=4 364 B12R1.301 COC1=C(C)C=C(C#N)C=C1C 28742 [1,1,0,0,0,0|1,0,1]=4 365 B12R1.301 COC1=C(C)C=C(C=O)C=C1C 2637 [1,1,0,0,0,0|0,0,0]=2 366 B12R1.301 COC1=CC(C)=C(OC)C(C)=C1 3043 [1,1,0,0,0,0|2,0,0]=4 367 B12R1.450 COC1=CC(Br)=C(C=O)C=C1O 21946 [1,1,0,0,0,0|0,0,0]=2 368 B12R1.450 COC1=CC(C)=C(C=O)C=C1C 4208 [1,1,0,0,0,0|0,0,0]=2 369 B12R1.450 COC1=CC(F)=C(C=O)C=C1F 17005 [1,1,0,0,0,0|1,0,0]=3 370 B12R1.450 O=CC1=CC(O)=C(C=O)C=C1O 25702 [1,1,0,0,0,0|2,0,0]=4 371 B12R1.452 CC1=C(B(O)O)C=CC(C=O)=C1 32199 [1,1,0,0,0,0|2,0,0]=4 372 B12R1.452 CC1=C([N+](=O)[O-])C=CC(C=O)=C1 17018 [1,1,0,0,0,0|2,0,0]=4 373 B12R1.653 COC1=C(C)C(C)=C(C=O)C=C1 8143 [1,1,0,0,0,0|0,0,0]=2 374 B12R1.653 COC1=C(O)C(Cl)=C(C=O)C=C1 27576 [1,1,0,0,0,0|0,0,0]=2 375 B12R1.653 O=CC1=C(O)C(O)=C(C=O)C=C1 25709 [1,1,0,0,0,0|2,0,0]=4 376 B12R1.56 C#CC1=C(C)C=CC(C(=O)O)=C1 26789 [1,1,0,0,0,0|1,0,1]=4 377 B12R1.56 CC1=C(C=O)C=C(C(=O)O)C=C1 30639 [1,1,0,0,0,0|2,0,0]=4 378 B12R1.56 CCC1=C(F)C=CC(C(=O)O)=C1 25823 [1,1,0,0,0,0|2,0,0]=4 379 B12R1.56 CCC1=C(N)C=CC(C(=O)O)=C1 28522 [1,1,0,0,0,0|2,0,0]=4 380 B12R1.56 COC1=C(Br)C=CC(C(=O)O)=C1 24786 [1,1,0,0,0,0|1,0,0]=3 381 B12R1.56 COC1=C(Br)C=CC([N+](=O)[O-])=C1 2536 [1,1,0,0,0,0|2,0,0]=4 382 B12R1.56 COC1=C(C)C=CC(B(O)O)=C1 5130 [1,1,0,0,0,0|1,0,1]=4 383 B12R1.56 COC1=C(C)C=CC(C(=O)O)=C1 2672 [1,1,0,0,0,0|0,0,0]=2 384 B12R1.56 COC1=C(C)C=CC(C(C)=O)=C1 31231 [1,1,0,0,0,0|0,0,0]=2 385 B12R1.56 COC1=C(C)C=CC([N+](=O)[O-])=C1 2628 [1,1,0,0,0,0|1,0,0]=3 386 B12R1.56 COC1=C(Cl)C=CC(C(=O)O)=C1 4565 [1,1,0,0,0,0|1,0,0]=3 387 B12R1.56 COC1=C(Cl)C=CC([N+](=O)[O-])=C1 2625 [1,1,0,0,0,0|2,0,0]=4 388 B12R1.56 COC1=C(F)C=CC(C(=O)O)=C1 1394 [1,1,0,0,0,0|1,0,0]=3 389 B12R1.56 COC1=C(F)C=CC(C(C)=O)=C1 4234 [1,1,0,0,0,0|1,0,0]=3 390 B12R1.56 COC1=C(I)C=CC([N+](=O)[O-])=C1 2668 [1,1,0,0,0,0|2,0,0]=4 391 B12R1.56 COC1=C(N)C=CC(C(=O)O)=C1 3131 [1,1,0,0,0,0|1,0,0]=3 392 B12R1.56 COC1=C(N)C=CC([N+](=O)[O-])=C1 3332 [1,1,0,0,0,0|2,0,0]=4 393 B12R1.56 COC1=C(O)C=CC(B(O)O)=C1 33662 [1,1,0,0,0,0|1,0,1]=4 394 B12R1.56 COC1=C(O)C=CC(C(=O)O)=C1 19485 [1,1,0,0,0,0|0,0,0]=2 395 B12R1.56 COC1=C(O)C=CC(C(C)=O)=C1 3315 [1,1,0,0,0,0|0,0,0]=2 396 B12R1.56 COC1=C(O)C=CC([N+](=O)[O-])=C1 16519 [1,1,0,0,0,0|1,0,0]=3 397 B12R1.56 COC1=CC(C(=O)O)=CNC1=O 26785 [1,1,0,0,0,0|1,0,1]=4 398 B12R1.56 COc1cc([N+](=O)[O-])ccc1F 1055 [1,1,0,0,0,0|2,0,0]=4 399 B12R1.56 N#CC1=C(O)C=CC(C(=O)O)=C1 16076 [1,1,0,0,0,0|2,0,0]=4 400 B12R1.56 O=CC1=C(O)C=CC(C(=O)O)=C1 25762 [1,1,0,0,0,0|2,0,0]=4 401 B12R1.286 COC1=C(C)C=CC(CC#N)=C1 12778 [1,1,0,0,0,0|1,0,1]=4 402 B12R1.286 COC1=C(O)C=CC(CC#N)=C1 14775 [1,1,0,0,0,0|1,0,1]=4 403 B12R1.286 COC1=C(O)C=CC(CCN)=C1 34925 [1,1,0,0,0,0|1,0,1]=4 404 B12R1.300 COC1=C(O)C(Br)=CC(C=O)=C1 8197 [1,1,0,0,0,0|0,0,0]=2 405 B12R1.300 COC1=CC(C=O)=CC(F)=C1F 30893 [1,1,0,0,0,0|1,0,0]=3 406 B12R1.300 COC1=CC(C=O)=CC(F)=C1O 10464 [1,1,0,0,0,0|0,0,0]=2 407 B12R1.300 COC1=CC(C=O)=CC(O)=C1O 8233 [1,1,0,0,0,0|0,0,0]=2 408 B12R1.449 CCC1=CC(OC)=C(O)C=C1F 26368 [1,1,0,0,0,0|1,0,1]=4 409 B12R1.453 CC1=C(C(=O)O)C=C(C=O)C=C1 30646 [1,1,0,0,0,0|2,0,0]=4 410 B12R1.453 CC1=C([N+](=O)[O-])C=C(C=O)C=C1 8157 [1,1,0,0,0,0|2,0,0]=4 411 B12R1.453 NC(=O)C1=C(O)C=CC(C=O)=C1 30314 [1,1,0,0,0,0|2,0,0]=4 412 B12R1.453 O=CC1=CC([N+](=O)[O-])=C(O)C=C1 8135 [1,1,0,0,0,0|2,0,0]=4 413 B12R1.453 O=CC1=CC=C(O)C(C(=O)O)=C1 10569 [1,1,0,0,0,0|2,0,0]=4 414 B12R1.654 COC1=C(F)C=CC(C=O)=C1F 25895 [1,1,0,0,0,0|1,0,0]=3 415 B14R1.43 COC1=C([N+](=O)[O-])C=CC(C(=O)O)=C1 3918 [0,2,0,0,0,0|2,0,0]=4 416 B14R1.43 COC1=C([N+](=O)[O-])C=CC(C(C)=O)=C1 29283 [0,2,0,0,0,0|2,0,0]=4 417 B14R1.2334 COC(=O)C1=C(OC)C=C(C#N)C=C1 30692 [0,2,0,0,0,0|1,0,1]=4 418 B14R1.2334 COC(=O)C1=C(OC)C=C(CBr)C=C1 30524 [0,2,0,0,0,0|1,0,1]=4 419 B14R1.2315 COC(=O)C1=C(OC)C=CC(C#N)=C1 28605 [0,2,0,0,0,0|1,0,1]=4 420 B14R1.2315 COC(=O)C1=C(OC)C=CC(C=O)=C1 19967 [0,2,0,0,0,0|0,0,0]=2 421 B14R1.2315 COC(=O)C1=C(OC)C=CC(CBr)=C1 30761 [0,2,0,0,0,0|1,0,1]=4 422 B14R1.1864 COC(=O)C1=CC(C#N)=C(OC)C=C1 30512 [0,2,0,0,0,0|2,0,0]=4 423 B14R1.1864 COC(=O)C1=CC(OC)=C(C=O)C=C1 22929 [0,2,0,0,0,0|2,0,0]=4 424 B14R1.1864 COC(=O)C1=CC(OC)=C(CBr)C=C1 2159 [0,2,0,0,0,0|2,0,0]=4 425 B14R1.1864 COC(=O)C1=CC(OC)=C(OC)C=C1 13009 [0,2,0,0,0,0|0,0,0]=2 426 B14R1.1864 COC1=C(OC)C=C(C(=O)C=O)C=C1 12147 [0,2,0,0,0,0|0,0,0]=2 427 B14R1.3651 COC1=C(OC)C=C(CC(=O)O)C=C1 12394 [0,2,0,0,0,0|0,0,0]=2 428 B14R1.3651 COC1=C(OC)C=C(CC(C)=O)C=C1 15020 [0,2,0,0,0,0|0,0,0]=2 429 B14R1.3651 COC1=C(OC)C=C(CC(C)N)C=C1 16299 [0,2,0,0,0,0|1,0,1]=4 430 B14R1.3651 COC1=C(OC)C=C(C[C@@H](C)O)C=C1 15584 [0,2,0,0,0,0|0,0,2]=4 431 B14R1.3651 COC1=C(OC)C=C(C[C@H](C)O)C=C1 23471 [0,2,0,0,0,0|0,0,2]=4 432 B14R1.3651 COC1=C(OC)C=C(NC(=N)N)C=C1 22166 [0,2,0,0,0,0|1,0,0]=3 433 B14R1.576 C#CC1=CC(OC)=C(OC)C(OC)=C1 34300 [0,2,0,0,0,0|1,0,1]=4 434 B14R1.576 COC1=CC(C#N)=CC(OC)=C1OC 13110 [0,2,0,0,0,0|1,0,1]=4 435 B14R1.576 COC1=CC(C=O)=CC(OC)=C1OC 8266 [0,2,0,0,0,0|0,0,0]=2 436 B14R1.576 COC1=CC(CN)=CC(OC)=C1OC 16674 [0,2,0,0,0,0|1,0,1]=4 437 B14R1.101 COC1=C(OC(C)C)C=CC(CCl)=C1 28807 [0,2,0,0,0,0|1,0,1]=4 438 B14R1.101 COC1=C(OC(F)F)C=CC(C=O)=C1 30909 [0,2,0,0,0,0|0,0,0]=2 439 B14R1.6723 CCOC1=C(OC)C=C(C(=O)O)C=C1 24203 [0,2,0,0,0,0|0,0,0]=2 440 B14R1.1851 CCC1=CC(C(C)=O)=C(N)C=C1OC 26415 [0,2,0,0,0,0|1,0,0]=3 441 B14R1.1851 CCC1=CC(N)=C(C(C)=O)C=C1OC 26413 [0,2,0,0,0,0|1,0,0]=3 442 B14R1.1851 COC1=CC(Br)=C(C(=O)O)C=C1OC 30561 [0,2,0,0,0,0|0,0,0]=2 443 B14R1.1851 COC1=CC(Cl)=C(C(=O)O)C=C1OC 12496 [0,2,0,0,0,0|0,0,0]=2 444 B14R1.1851 COC1=CC(F)=C(C(=O)O)C=C1OC 30670 [0,2,0,0,0,0|0,0,0]=2 445 B14R1.1851 COC1=CC(F)=C(C(C)=O)C=C1OC 31222 [0,2,0,0,0,0|0,0,0]=2 446 B14R1.1851 COC1=CC(I)=C(C(=O)O)C=C1OC 12524 [0,2,0,0,0,0|0,0,0]=2 447 B14R1.1851 COC1=CC(N)=C(C(=O)O)C=C1OC 3110 [0,2,0,0,0,0|0,0,0]=2 448 B14R1.1851 COC1=CC(N)=C(C(C)=O)C=C1OC 4007 [0,2,0,0,0,0|0,0,0]=2 449 B14R1.2282 CCC1=CC(OC)=C(C=O)C=C1OC 26372 [0,2,0,0,0,0|1,0,0]=3 450 B14R1.2282 COC1=CC(C=O)=C(OC)C=C1C=O 25708 [0,2,0,0,0,0|2,0,0]=4 451 B14R1.2282 COC1=CC(C=O)=C(OC)C=C1OC 8263 [0,2,0,0,0,0|0,0,0]=2 452 B14R1.2023 COC1=C(OC)C(Cl)=C(C(=O)O)C=C1 15948 [0,2,0,0,0,0|0,0,0]=2 453 B14R1.2023 COC1=C(OC)C(N)=C(C(=O)O)C=C1 27580 [0,2,0,0,0,0|0,0,0]=2 454 B14R1.2023 COC1=C(OC)C(N)=C(C(C)=O)C=C1 22815 [0,2,0,0,0,0|0,0,0]=2 455 B14R1.2310 COC1=C(C=O)C=CC(C=O)=C1OC 25710 [0,2,0,0,0,0|2,0,0]=4 456 B14R1.2310 COC1=C(OC)C(OC)=C(C=O)C=C1 8261 [0,2,0,0,0,0|0,0,0]=2 457 B14R1.31 COC1=C(C(=O)O)C=C(C(=O)O)C=C1 15047 [0,2,0,0,0,0|2,0,0]=4 458 B14R1.31 COC1=C([N+](=O)[O-])C=C(C(=O)O)C=C1 21942 [0,2,0,0,0,0|2,0,0]=4 459 B14R1.3720 COC1=C(C(F)(F)F)C=C(C=O)C=C1 4247 [0,2,0,0,0,0|2,0,0]=4 460 B14R1.3654 COC1=C(OC)C=C(S(=O)(=O)Cl)C=C1 5127 [0,2,0,0,0,0|1,0,0]=3 461 B12R1.608 COC(=O)C1=CC(C=O)=CN1C 12439 [0,0,1,1,0,0|2,0,0]=4 462 B12R2.24 BrC1=CC2=C(C=C1)NCCO2 22676 [1,0,0,1,0,0|2,0,0]=4 463 B12R2.24 BrC1=CC2=C(C=C1)OCCN2 17444 [1,0,0,1,0,0|2,0,0]=4 464 B12R2.24 BrC1=CC2=C(C=C1)OCCO2 3736 [1,0,0,1,0,0|1,0,0]=3 465 B12R2.24 BrC1=CC=C2CCCOC2=C1 34276 [1,0,0,1,0,0|2,0,0]=4 466 B12R2.24 BrC1=CC=C2OCCCC2=C1 34593 [1,0,0,1,0,0|2,0,0]=4 467 B12R2.24 ClC1=CC2=C(C=C1)NCCO2 34210 [1,0,0,1,0,0|2,0,0]=4 468 B12R2.24 ClC1=CC2=C(C=C1)OCCN2 27891 [1,0,0,1,0,0|2,0,0]=4 469 B12R2.24 NC1=CC2=C(C=C1)NCCO2 33680 [1,0,0,1,0,0|2,0,0]=4 470 B12R2.24 NC1=CC2=C(C=C1)OCCO2 31954 [1,0,0,1,0,0|1,0,0]=3 471 B12R2.24 NC1=CN=C2OCCOC2=C1 26743 [1,0,0,1,0,0|2,0,0]=4 472 B12R2.24 OC1=CC2=C(C=C1)NCCO2 27735 [1,0,0,1,0,0|1,0,1]=4 473 B12R2.24 OC1=CC2=C(C=C1)OCCN2 20876 [1,0,0,1,0,0|1,0,1]=4 474 B12R2.24 OC1=CC=C2OCCCC2=C1 25609 [1,0,0,1,0,0|1,0,1]=4 475 B12R2.24 OC1=CN=C2OCCOC2=C1 26747 [1,0,0,1,0,0|1,0,1]=4 476 B12R2.44 ClCC1=CC2=C(C=C1)OCC2 7796 [1,0,0,1,0,0|1,0,1]=4 477 B12R2.44 ClCC1=CC2=C(C=C1)OCO2 35833 [1,0,0,1,0,0|1,0,1]=4 478 B12R2.44 N#CC1=CC2=C(C=C1)OCO2 15358 [1,0,0,1,0,0|1,0,1]=4 479 B12R2.44 NCC1=CC2=C(C=C1)OCC2 6985 [1,0,0,1,0,0|1,0,1]=4 480 B12R2.44 NCC1=CC2=C(C=C1)OCO2 7387 [1,0,0,1,0,0|1,0,1]=4 481 B12R2.44 O=CC1=CC2=C(C=C1)OC=C2 7015 [1,0,0,1,0,0|0,0,2]=4 482 B12R2.44 O=CC1=CC2=C(C=C1)OCC2 13007 [1,0,0,1,0,0|0,0,0]=2 483 B12R2.44 O=CC1=CC2=C(C=CO2)C=C1 28005 [1,0,0,1,0,0|1,0,1]=4 484 B12R2.44 O=CC1=CC=C2CCCC2=C1 21537 [1,0,0,1,0,0|1,0,0]=3 485 B12R2.44 OCC1=CC2=C(C=C1)OCC2 7802 [1,0,0,1,0,0|0,0,2]=4 486 B12R2.44 OCC1=CC2=C(C=C1)OCO2 13179 [1,0,0,1,0,0|0,0,2]=4 487 B14R2.1801 CN1CCOC2=C1N=CC(C=O)=C2 16127 [0,1,0,1,0,0|2,0,0]=4 488 B14R2.82 COC1=C(OC)C=C2NC=CC2=C1 7329 [0,1,0,1,0,0|1,0,0]=3 489 B14R2.82 COC1=CC2=C(C=C1OC)NC=N2 7603 [0,1,0,1,0,0|1,0,0]=3 490 B14R2.82 COC1=CC2=C(C=C1OC)SC=N2 25155 [0,1,0,1,0,0|0,1,0]=3 491 B14R2.1238 COC1=CC=C2NC=CC2=C1OC 34583 [0,1,0,1,0,0|1,0,0]=3 492 B14R2.781 CC(=O)C1=CC2=C(C=C1)OCCO2 9751 [0,1,0,1,0,0|0,0,0]=2 493 B14R2.781 O=C(O)C1=CC2=C(C=C1)OCCO2 9745 [0,1,0,1,0,0|0,0,0]=2 494 B14R2.781 O=C(O)C1=CC2=C(N=C1)NCCO2 35078 [0,1,0,1,0,0|2,0,0]=4 495 B14R2.781 O=C(O)C1=CN=C2OCCOC2=C1 26746 [0,1,0,1,0,0|1,0,0]=3 496 B14R2.781 OB(O)C1=CC2=C(C=C1)OCCO2 7840 [0,1,0,1,0,0|1,0,1]=4 497 B12R1.1879 COC1=C(OC)C(CCl)=NC=C1 20758 [0,0,0,0,1,1|1,0,1]=4 498 B12R1.1879 COC1=C(OC)C(CO)=NC=C1 15911 [0,0,0,0,1,1|0,0,2]=4 499 B12R1.1879 COC1=CC=CC(C#N)=C1OC 13104 [0,0,0,0,1,1|1,0,1]=4 500 B12R1.1879 COC1=CC=CC(C=O)=C1OC 8216 [0,0,0,0,1,1|0,0,0]=2 501 B12R1.1879 COC1=CC=CC(CN)=C1OC 7399 [0,0,0,0,1,1|1,0,1]=4 502 B12R1.1879 COC1=CC=CC(CO)=C1OC 44703 [0,0,0,0,1,1|0,0,2]=4 503 B12R1.1879 COC1=CC=CC(OC)=C1OC 14319 [0,0,0,0,1,1|2,0,0]=4 504 B12R1.58 C#CC1=CC(OC)=CC(OC)=C1 29058 [0,0,0,0,1,1|1,0,1]=4 505 B12R1.58 COC1=CC(C#N)=CC(OC)=C1 3122 [0,0,0,0,1,1|1,0,1]=4 506 B12R1.58 COC1=CC(C=O)=CC(C=O)=C1 20489 [0,0,0,0,1,1|2,0,0]=4 507 B12R1.58 COC1=CC(C=O)=CC(OC)=C1 2645 [0,0,0,0,1,1|0,0,0]=2 508 B12R1.58 COC1=CC(CBr)=CC(OC)=C1 13588 [0,0,0,0,1,1|1,0,1]=4 509 B12R1.58 COC1=CC(CN)=CC(OC)=C1 7393 [0,0,0,0,1,1|1,0,1]=4 510 B12R1.58 COC1=CC(CO)=CC(OC)=C1 7732 [0,0,0,0,1,1|0,0,2]=4 511 B12R1.58 COC1=CC(OC)=CC(OC)=C1 16522 [0,0,0,0,1,1|2,0,0]=4