0 B12R1.286 COC1=C(C)C=CC(CC#N)=C1 12778 [0,0,0,0,0,0|2,0,1]=3 1 B12R1.286 COC1=C(O)C=CC(CC#N)=C1 14775 [0,0,0,0,0,0|1,0,1]=2 2 B12R1.286 COC1=C(O)C=CC(CCN)=C1 34925 [0,0,0,0,0,0|1,0,1]=2 3 B11R1.189 CNCC1=CC(OC)=CC=C1 31256 [1,0,0,0,0,0|1,0,1]=3 4 B11R1.189 COC1=CC=CC(CC#N)=C1 18497 [1,0,0,0,0,0|1,0,1]=3 5 B11R1.189 COC1=CC=CC(CCN)=C1 12794 [1,0,0,0,0,0|1,0,1]=3 6 B11R1.192 Cc1cc(CC#N)ccc1Br 31491 [1,0,0,0,0,0|2,0,1]=4 7 B11R1.192 Cc1cc(CC#N)ccc1F 31505 [1,0,0,0,0,0|2,0,1]=4 8 B11R1.192 NCCC1=CC(O)=C(O)C=C1 22727 [1,0,0,0,0,0|1,0,1]=3 9 B11R1.192 OCCC1=CC=C(O)C(O)=C1 14271 [1,0,0,0,0,0|1,0,1]=3 10 B11R1.280 CCC1=C(O)C=CC(C=O)=C1 28101 [1,0,0,0,0,0|2,0,0]=3 11 B11R1.280 CCC1=CC(OC)=C(Cl)C=C1 5280 [1,0,0,0,0,0|1,0,1]=3 12 B11R1.280 COC1=C(Br)C=CC(C#N)=C1 28722 [1,0,0,0,0,0|2,0,1]=4 13 B11R1.280 COC1=C(Br)C=CC(C=O)=C1 30968 [1,0,0,0,0,0|2,0,0]=3 14 B11R1.280 COC1=C(Br)C=CC(CO)=C1 31324 [1,0,0,0,0,0|2,0,0]=3 15 B11R1.280 COC1=C(C)C=CC(C#N)=C1 28758 [1,0,0,0,0,0|2,0,1]=4 16 B11R1.280 COC1=C(C)C=CC(C=O)=C1 2646 [1,0,0,0,0,0|2,0,0]=3 17 B11R1.280 COC1=C(Cl)C=CC(C#N)=C1 18681 [1,0,0,0,0,0|2,0,1]=4 18 B11R1.280 COC1=C(Cl)C=CC(C=O)=C1 30916 [1,0,0,0,0,0|2,0,0]=3 19 B11R1.280 COC1=C(F)C=CC(C#N)=C1 3501 [1,0,0,0,0,0|2,0,1]=4 20 B11R1.280 COC1=C(F)C=CC(C=O)=C1 1449 [1,0,0,0,0,0|2,0,0]=3 21 B11R1.280 COC1=C(F)C=CC(CBr)=C1 27471 [1,0,0,0,0,0|2,0,0]=3 22 B11R1.280 COC1=C(F)C=CC(CN)=C1 27537 [1,0,0,0,0,0|2,0,0]=3 23 B11R1.280 COC1=C(F)C=CC(CO)=C1 7734 [1,0,0,0,0,0|2,0,0]=3 24 B11R1.280 COC1=C(O)C=CC(C#N)=C1 13112 [1,0,0,0,0,0|1,0,1]=3 25 B11R1.280 COC1=C(O)C=CC(C=O)=C1 25440 [1,0,0,0,0,0|1,0,0]=2 26 B11R1.280 COC1=C(O)C=CC(CN)=C1 7385 [1,0,0,0,0,0|1,0,0]=2 27 B11R1.280 COC1=CC(OC)=C(Br)C=C1 3036 [1,0,0,0,0,0|2,0,1]=4 28 B11R1.280 COC1=CC(OC)=C(Cl)C=C1 3041 [1,0,0,0,0,0|2,0,1]=4 29 B11R1.280 COC1=CC(OC)=C(F)C=C1 28466 [1,0,0,0,0,0|2,0,1]=4 30 B11R1.280 COC1=CC(OC)=C(I)C=C1 3053 [1,0,0,0,0,0|2,0,1]=4 31 B11R1.280 COC1=CC(OC)=C(N)C=C1 16639 [1,0,0,0,0,0|2,0,1]=4 32 B11R1.280 COC1=CC(OC)=C(S)C=C1 6882 [1,0,0,0,0,0|1,1,1]=4 33 B13R1.49 CCC(=O)c1ccc(O)c(OC)c1 28262 [0,1,0,0,0,0|0,0,3]=4 34 B13R1.49 COC(=O)C1=CC(OC)=C(O)C=C1 35231 [0,1,0,0,0,0|1,0,2]=4 35 B13R1.52 COC1=C(C)C=CC(CC(=O)O)=C1 31547 [0,1,0,0,0,0|2,0,0]=3 36 B13R1.52 COC1=C(F)C=CC(CC(=O)O)=C1 25281 [0,1,0,0,0,0|2,0,0]=3 37 B13R1.52 COC1=C(F)C=CC(CC(=O)O)=C1 31437 [0,1,0,0,0,0|2,0,0]=3 38 B13R1.52 COC1=C(O)C=CC(CC(=O)O)=C1 14403 [0,1,0,0,0,0|1,0,0]=2 39 B13R1.386 CCOC1=CC(OC)=C(OC)C=C1 3044 [0,1,0,0,0,0|1,0,2]=4 40 B13R1.386 COC1=C(OC)C=C(CC#N)C=C1 20538 [0,1,0,0,0,0|1,0,1]=3 41 B13R1.386 COC1=C(OC)C=C(CCN)C=C1 22139 [0,1,0,0,0,0|1,0,1]=3 42 B13R1.386 COC1=C(OC)C=C(CCO)C=C1 28132 [0,1,0,0,0,0|1,0,1]=3 43 B13R1.386 COC1=C(OC)C=C(N=C=O)C=C1 35593 [0,1,0,0,0,0|2,0,1]=4 44 B13R2.121 COC1=C2C=CNC2=NC=C1Cl 27008 [0,0,0,1,0,0|3,0,0]=4 45 B13R2.121 COC1=C2C=NNC2=CC=C1Br 7835 [0,0,0,1,0,0|3,0,0]=4 46 B13R2.449 BrCCC1=CC2=C(C=C1)OCC2 6953 [0,0,0,1,0,0|2,0,1]=4 47 B13R2.449 ClCCC1=CC2=C(C=C1)OCC2 19152 [0,0,0,1,0,0|2,0,1]=4 48 B13R2.449 N#CCC1=CC2=C(C=C1)OCO2 24845 [0,0,0,1,0,0|1,0,1]=3 49 B13R2.449 NCCC1=CC2=C(C=C1)OCO2 31788 [0,0,0,1,0,0|1,0,1]=3 50 B13R2.599 COC1=C(Br)C=C2C=NNC2=C1 16370 [0,0,0,1,0,0|3,0,0]=4 51 B13R2.599 COC1=C(Cl)C=C2C=CNC2=C1 19944 [0,0,0,1,0,0|2,0,0]=3 52 B13R2.599 COC1=C(O)C=C2C=NNC2=C1 18030 [0,0,0,1,0,0|2,0,0]=3 53 B10R1.10 NCCC1=CC(O)=CC=C1 21937 [2,0,0,0,0,0|1,0,1]=4 54 B10R1.10 NNCC1=CC(O)=CC=C1 14770 [2,0,0,0,0,0|2,0,0]=4 55 B10R1.10 OC1=CC(\C=C\Br)=CC=C1 31891 [2,0,0,0,0,0|1,0,1]=4 56 B10R1.172 CCC1=CC=CC(C=O)=C1 3073 [2,0,0,0,0,0|2,0,0]=4 57 B10R1.172 COC1=CC(C=O)=NC=C1 27798 [2,0,0,0,0,0|2,0,0]=4 58 B10R1.172 COC1=CC(CN)=NC=C1 27624 [2,0,0,0,0,0|2,0,0]=4 59 B10R1.172 COC1=CC(CN)=NC=C1 34573 [2,0,0,0,0,0|2,0,0]=4 60 B10R1.172 COC1=CC(CO)=NC=C1 9295 [2,0,0,0,0,0|2,0,0]=4 61 B10R1.172 COC1=CC=CC(C#N)=C1 4813 [2,0,0,0,0,0|1,0,1]=4 62 B10R1.172 COC1=CC=CC(C=O)=C1 13614 [2,0,0,0,0,0|1,0,0]=3 63 B10R1.172 COC1=CC=CC(C=O)=N1 15345 [2,0,0,0,0,0|2,0,0]=4 64 B10R1.172 COC1=CC=CC(CBr)=C1 13585 [2,0,0,0,0,0|1,0,0]=3 65 B10R1.172 COC1=CC=CC(CCl)=C1 4653 [2,0,0,0,0,0|1,0,0]=3 66 B10R1.172 COC1=CC=CC(CN)=C1 7401 [2,0,0,0,0,0|1,0,0]=3 67 B10R1.172 COC1=CC=CC(CO)=C1 3095 [2,0,0,0,0,0|1,0,0]=3 68 B10R1.172 COC1=CC=CC(CO)=N1 16585 [2,0,0,0,0,0|2,0,0]=4 69 B10R1.172 COC1=CC=CC(SC)=C1 10653 [2,0,0,0,0,0|1,0,1]=4 70 B10R1.172 COC1=CN=CC(C=O)=C1 27156 [2,0,0,0,0,0|2,0,0]=4 71 B10R1.172 COC1=NC=CC(C=O)=C1 17088 [2,0,0,0,0,0|2,0,0]=4 72 B10R1.172 COC1=NC=CC(CCl)=C1 24332 [2,0,0,0,0,0|2,0,0]=4 73 B10R1.172 CSC1=CC=CC(CCl)=C1 32305 [2,0,0,0,0,0|1,1,0]=4 74 B10R1.1 N#CCC1=CC=C(O)C=C1 18614 [2,0,0,0,0,0|1,0,1]=4 75 B10R1.1 NCCC1=CC=C(O)C=C1 16668 [2,0,0,0,0,0|1,0,1]=4 76 B10R1.1 O=CCC1=CC=C(Cl)C=C1 26501 [2,0,0,0,0,0|2,0,0]=4 77 B10R1.1 OC1=CC=C(CCBr)C=C1 2349 [2,0,0,0,0,0|1,0,1]=4 78 B10R1.1 OCCC1=CC=C(O)C=C1 9418 [2,0,0,0,0,0|1,0,1]=4 79 B10R1.176 C=CC1=CC(O)=C(O)C=C1 35519 [2,0,0,0,0,0|0,0,0]=2 80 B10R1.176 CC1=C(Br)C=CC(C=O)=C1 30935 [2,0,0,0,0,0|2,0,0]=4 81 B10R1.176 CC1=C(Br)C=CC(CBr)=C1 24290 [2,0,0,0,0,0|2,0,0]=4 82 B10R1.176 CC1=C(C)C=C(C=O)C=C1 2535 [2,0,0,0,0,0|2,0,0]=4 83 B10R1.176 CC1=C(C)C=C(CCl)C=C1 14890 [2,0,0,0,0,0|2,0,0]=4 84 B10R1.176 CC1=C(C)C=C(CN)C=C1 4412 [2,0,0,0,0,0|2,0,0]=4 85 B10R1.176 CC1=C(C)C=C(CO)C=C1 2161 [2,0,0,0,0,0|2,0,0]=4 86 B10R1.176 CC1=C(Cl)C=CC(C=O)=C1 28400 [2,0,0,0,0,0|2,0,0]=4 87 B10R1.176 CC1=C(F)C=CC(C=O)=C1 1457 [2,0,0,0,0,0|2,0,0]=4 88 B10R1.176 CC1=C(F)C=CC(CN)=C1 4495 [2,0,0,0,0,0|2,0,0]=4 89 B10R1.176 CC1=C(O)C=CC(C=O)=C1 8134 [2,0,0,0,0,0|1,0,0]=3 90 B10R1.176 CC1=CC(C=O)=CN=C1O 27644 [2,0,0,0,0,0|2,0,0]=4 91 B10R1.176 CCC1=CC(N)=C(O)C=C1 27789 [2,0,0,0,0,0|1,0,1]=4 92 B10R1.176 CCC1=CC(O)=C(Cl)C=C1 3644 [2,0,0,0,0,0|1,0,1]=4 93 B10R1.176 CCC1=CC=C(O)C(O)=C1 28104 [2,0,0,0,0,0|0,0,1]=3 94 B10R1.176 COC1=CC(C)=C(O)C=C1 31104 [2,0,0,0,0,0|1,0,1]=4 95 B10R1.176 COC1=CC=C(O)C(O)=C1 33439 [2,0,0,0,0,0|1,0,1]=4 96 B10R1.176 N#CC1=CC(O)=C(O)C=C1 3120 [2,0,0,0,0,0|1,0,1]=4 97 B10R1.176 NCC1=CC(O)=C(O)C=C1 21986 [2,0,0,0,0,0|1,0,0]=3 98 B10R1.176 O=CC1=CC(Br)=C(O)C=C1 3778 [2,0,0,0,0,0|2,0,0]=4 99 B10R1.176 O=CC1=CC(Cl)=C(O)C=C1 7764 [2,0,0,0,0,0|2,0,0]=4 100 B10R1.176 O=CC1=CC(F)=C(O)C=C1 1443 [2,0,0,0,0,0|2,0,0]=4 101 B10R1.176 O=CC1=CC(F)=C(O)C=C1 30905 [2,0,0,0,0,0|2,0,0]=4 102 B10R1.176 O=CC1=CC(O)=C(Br)C=C1 16848 [2,0,0,0,0,0|2,0,0]=4 103 B10R1.176 O=CC1=CC(O)=C(Cl)C=C1 30917 [2,0,0,0,0,0|2,0,0]=4 104 B10R1.176 O=CC1=CC(O)=C(I)C=C1 8597 [2,0,0,0,0,0|2,0,0]=4 105 B10R1.176 O=CC1=CC(O)=C(O)C=C1 8231 [2,0,0,0,0,0|1,0,0]=3 106 B10R1.176 OCC1=CC(O)=C(F)C=C1 35161 [2,0,0,0,0,0|2,0,0]=4 107 B10R1.176 OCC1=CC(O)=C(I)C=C1 28804 [2,0,0,0,0,0|2,0,0]=4 108 B10R1.176 OCC1=CC(O)=C(O)C=C1 3025 [2,0,0,0,0,0|1,0,0]=3 109 B10R1.30 CC1=CC(C#N)=C(O)C=C1 27632 [2,0,0,0,0,0|2,0,0]=4 110 B10R1.30 CC1=CC=C(O)C(C=O)=C1 15680 [2,0,0,0,0,0|2,0,0]=4 111 B10R1.30 CCC1=NC(C)=CC=C1O 35102 [2,0,0,0,0,0|2,0,0]=4 112 B10R1.30 CNC1=C(O)C=CC(N)=C1 20872 [2,0,0,0,0,0|2,0,0]=4 113 B10R1.30 COC1=C(Br)C=CC(Br)=C1 5357 [2,0,0,0,0,0|2,0,0]=4 114 B10R1.30 COC1=C(Br)C=CC(C)=C1 4136 [2,0,0,0,0,0|1,0,0]=3 115 B10R1.30 COC1=C(Br)C=CC(Cl)=C1 5265 [2,0,0,0,0,0|2,0,0]=4 116 B10R1.30 COC1=C(Br)C=CC(F)=C1 4091 [2,0,0,0,0,0|2,0,0]=4 117 B10R1.30 COC1=C(Br)C=CC(I)=C1 5333 [2,0,0,0,0,0|2,0,0]=4 118 B10R1.30 COC1=C(Br)C=CC(N)=C1 3794 [2,0,0,0,0,0|2,0,0]=4 119 B10R1.30 COC1=C(Br)C=CC(O)=C1 13260 [2,0,0,0,0,0|2,0,0]=4 120 B10R1.30 COC1=C(C)C=CC(Br)=C1 25292 [2,0,0,0,0,0|2,0,0]=4 121 B10R1.30 COC1=C(C)C=CC(C)=C1 5360 [2,0,0,0,0,0|1,0,0]=3 122 B10R1.30 COC1=C(C)C=CC(Cl)=C1 2667 [2,0,0,0,0,0|2,0,0]=4 123 B10R1.30 COC1=C(C)C=CC(F)=C1 2624 [2,0,0,0,0,0|2,0,0]=4 124 B10R1.30 COC1=C(C)C=CC(N)=C1 3329 [2,0,0,0,0,0|2,0,0]=4 125 B10R1.30 COC1=C(Cl)C=CC(Br)=C1 2632 [2,0,0,0,0,0|2,0,0]=4 126 B10R1.30 COC1=C(Cl)C=CC(C)=C1 5299 [2,0,0,0,0,0|1,0,0]=3 127 B10R1.30 COC1=C(Cl)C=CC(Cl)=C1 3681 [2,0,0,0,0,0|2,0,0]=4 128 B10R1.30 COC1=C(Cl)C=CC(F)=C1 2659 [2,0,0,0,0,0|2,0,0]=4 129 B10R1.30 COC1=C(Cl)C=CC(I)=C1 5289 [2,0,0,0,0,0|2,0,0]=4 130 B10R1.30 COC1=C(Cl)C=CC(N)=C1 3659 [2,0,0,0,0,0|2,0,0]=4 131 B10R1.30 COC1=C(Cl)C=CC(O)=C1 28110 [2,0,0,0,0,0|2,0,0]=4 132 B10R1.30 COC1=C(F)C=CC(Br)=C1 18513 [2,0,0,0,0,0|2,0,0]=4 133 B10R1.30 COC1=C(F)C=CC(C)=C1 8487 [2,0,0,0,0,0|1,0,0]=3 134 B10R1.30 COC1=C(F)C=CC(F)=C1 3456 [2,0,0,0,0,0|2,0,0]=4 135 B10R1.30 COC1=C(F)C=CC(N)=C1 14566 [2,0,0,0,0,0|2,0,0]=4 136 B10R1.30 COC1=C(F)C=CC(N)=C1 3022 [2,0,0,0,0,0|2,0,0]=4 137 B10R1.30 COC1=C(F)C=CC(O)=C1 14358 [2,0,0,0,0,0|2,0,0]=4 138 B10R1.30 COC1=C(I)C=CC(Br)=C1 28357 [2,0,0,0,0,0|2,0,0]=4 139 B10R1.30 COC1=C(I)C=CC(Cl)=C1 5293 [2,0,0,0,0,0|2,0,0]=4 140 B10R1.30 COC1=C(I)C=CC(I)=C1 28130 [2,0,0,0,0,0|2,0,0]=4 141 B10R1.30 COC1=C(I)C=CC(N)=C1 5352 [2,0,0,0,0,0|2,0,0]=4 142 B10R1.30 COC1=C(N)C=CC(Br)=C1 2258 [2,0,0,0,0,0|2,0,0]=4 143 B10R1.30 COC1=C(N)C=CC(F)=C1 28343 [2,0,0,0,0,0|2,0,0]=4 144 B10R1.30 COC1=C(N)C=CC(I)=C1 25591 [2,0,0,0,0,0|2,0,0]=4 145 B10R1.30 COC1=C(N)C=CC(O)=C1 18733 [2,0,0,0,0,0|2,0,0]=4 146 B10R1.30 COC1=C(N)C=CC(O)=C1 26950 [2,0,0,0,0,0|2,0,0]=4 147 B10R1.30 COC1=C(O)C=CC(Br)=C1 17271 [2,0,0,0,0,0|1,0,0]=3 148 B10R1.30 COC1=C(O)C=CC(Cl)=C1 3665 [2,0,0,0,0,0|1,0,0]=3 149 B10R1.30 COC1=C(O)C=CC(F)=C1 3880 [2,0,0,0,0,0|1,0,0]=3 150 B10R1.30 COC1=C(O)C=CC(I)=C1 17587 [2,0,0,0,0,0|1,0,0]=3 151 B10R1.30 COC1=C(O)C=CC(N)=C1 14144 [2,0,0,0,0,0|1,0,0]=3 152 B10R1.30 COC1=C(O)C=CC(N)=C1 33372 [2,0,0,0,0,0|1,0,0]=3 153 B10R1.30 COC1=NC(C)=CC=C1Br 8122 [2,0,0,0,0,0|2,0,0]=4 154 B10R1.30 COC1=NC(C)=CC=C1F 6585 [2,0,0,0,0,0|2,0,0]=4 155 B10R1.30 COC1=NC(C)=CC=C1N 1266 [2,0,0,0,0,0|2,0,0]=4 156 B12R1.41 COC1=CC(CC#N)=CC(F)=C1 25413 [1,1,0,0,0,0|1,0,1]=4 157 B12R1.270 COC1=CC(CC#N)=C(F)C=C1 24725 [1,1,0,0,0,0|1,0,1]=4 158 B12R1.280 COC1=CC=CC(CC#N)=C1O 12596 [1,1,0,0,0,0|1,0,1]=4 159 B12R1.435 COC1=CC=CC(C(=O)C=O)=C1 12325 [1,1,0,0,0,0|1,0,1]=4 160 B12R1.438 COC1=CC=CC(CC(=O)O)=C1 19669 [1,1,0,0,0,0|1,0,0]=3 161 B12R1.438 COC1=CC=CC(CC(C)=O)=C1 28267 [1,1,0,0,0,0|0,0,1]=3 162 B12R1.438 COC1=CC=CC(CC(O)=S)=C1 21122 [1,1,0,0,0,0|1,0,0]=3 163 B12R1.438 COC1=CC=CC(NC(=N)N)=C1 22163 [1,1,0,0,0,0|2,0,0]=4 164 B12R1.438 COC1=CC=CC(NC(C)=O)=C1 3321 [1,1,0,0,0,0|1,0,1]=4 165 B12R1.438 COC1=CC=CC(OC(C)=O)=C1 3063 [1,1,0,0,0,0|1,0,1]=4 166 B12R1.19 CC1=C(Br)C=CC(CC(=O)O)=C1 24119 [1,1,0,0,0,0|2,0,0]=4 167 B12R1.19 CC1=C(C)C=C(CC(=O)O)C=C1 10440 [1,1,0,0,0,0|2,0,0]=4 168 B12R1.19 CC1=C(C)C=C(CC(=O)O)C=C1 28862 [1,1,0,0,0,0|2,0,0]=4 169 B12R1.19 CC1=C(F)C=CC(CC(=O)O)=C1 31506 [1,1,0,0,0,0|2,0,0]=4 170 B12R1.19 CC1=C(O)C=CC(CC(=O)O)=C1 31480 [1,1,0,0,0,0|1,0,0]=3 171 B12R1.19 O=C(O)CC1=CC(Br)=C(O)C=C1 15175 [1,1,0,0,0,0|2,0,0]=4 172 B12R1.19 O=C(O)CC1=CC(Cl)=C(O)C=C1 12996 [1,1,0,0,0,0|2,0,0]=4 173 B12R1.19 O=C(O)CC1=CC(F)=C(O)C=C1 26176 [1,1,0,0,0,0|2,0,0]=4 174 B12R1.19 O=C(O)CC1=CC(O)=C(O)C=C1 24320 [1,1,0,0,0,0|1,0,0]=3 175 B12R1.288 COC1=C(C)C=C(CC#N)C=C1 31493 [1,1,0,0,0,0|1,0,1]=4 176 B12R1.288 COC1=C(O)C=C(CCN)C=C1 19594 [1,1,0,0,0,0|1,0,1]=4 177 B12R1.367 NC[C@H](O)C1=CC=C(O)C(O)=C1 6074 [1,1,0,0,0,0|1,0,1]=4 178 B12R1.367 NC[C@H](O)c1ccc(O)c(O)c1 36477 [1,1,0,0,0,0|1,0,1]=4 179 B12R1.56 COC1=C(Br)C=CC(C(=O)O)=C1 24786 [1,1,0,0,0,0|2,0,0]=4 180 B12R1.56 COC1=C(C)C=CC(C(=O)O)=C1 2672 [1,1,0,0,0,0|2,0,0]=4 181 B12R1.56 COC1=C(C)C=CC(C(C)=O)=C1 31231 [1,1,0,0,0,0|1,0,1]=4 182 B12R1.56 COC1=C(Cl)C=CC(C(=O)O)=C1 4565 [1,1,0,0,0,0|2,0,0]=4 183 B12R1.56 COC1=C(F)C=CC(C(=O)O)=C1 1394 [1,1,0,0,0,0|2,0,0]=4 184 B12R1.56 COC1=C(F)C=CC(C(C)=O)=C1 4234 [1,1,0,0,0,0|1,0,1]=4 185 B12R1.56 COC1=C(N)C=CC(C(=O)O)=C1 3131 [1,1,0,0,0,0|2,0,0]=4 186 B12R1.56 COC1=C(O)C=CC(B(O)O)=C1 33662 [1,1,0,0,0,0|2,0,0]=4 187 B12R1.56 COC1=C(O)C=CC(C(=O)O)=C1 19485 [1,1,0,0,0,0|1,0,0]=3 188 B12R1.56 COC1=C(O)C=CC(C(C)=O)=C1 3315 [1,1,0,0,0,0|0,0,1]=3 189 B12R1.56 COC1=C(O)C=CC([N+](=O)[O-])=C1 16519 [1,1,0,0,0,0|2,0,0]=4 190 B12R1.78 C#CC1=CC(OC)=C(OC)C=C1 19824 [1,1,0,0,0,0|0,0,2]=4 191 B12R1.78 CCC1=CC(OC)=C(OC)C=C1 3046 [1,1,0,0,0,0|0,0,1]=3 192 B12R1.78 COC1=C(OC)C=C(C#N)C=C1 8124 [1,1,0,0,0,0|1,0,1]=4 193 B12R1.78 COC1=C(OC)C=C(C=O)C=C1 8238 [1,1,0,0,0,0|1,0,0]=3 194 B12R1.78 COC1=C(OC)C=C(CCl)C=C1 13181 [1,1,0,0,0,0|1,0,0]=3 195 B12R1.78 COC1=C(OC)C=C(CN)C=C1 7394 [1,1,0,0,0,0|1,0,0]=3 196 B12R1.78 COC1=C(OC)C=C(CO)C=C1 7452 [1,1,0,0,0,0|1,0,0]=3 197 B12R1.78 COC1=CC(OC)=C(CO)C=C1 7454 [1,1,0,0,0,0|1,0,1]=4 198 B12R1.300 COC1=C(O)C(Br)=CC(C=O)=C1 8197 [1,1,0,0,0,0|1,0,0]=3 199 B12R1.300 COC1=CC(C=O)=CC(F)=C1F 30893 [1,1,0,0,0,0|2,0,0]=4 200 B12R1.300 COC1=CC(C=O)=CC(F)=C1O 10464 [1,1,0,0,0,0|1,0,0]=3 201 B12R1.300 COC1=CC(C=O)=CC(O)=C1O 8233 [1,1,0,0,0,0|1,0,0]=3 202 B12R1.449 CCC1=CC(OC)=C(O)C=C1F 26368 [1,1,0,0,0,0|0,0,1]=3 203 B12R1.654 COC1=C(F)C=CC(C=O)=C1F 25895 [1,1,0,0,0,0|2,0,0]=4 204 B14R1.1864 COC1=C(OC)C=C(C(=O)C=O)C=C1 12147 [0,2,0,0,0,0|1,0,1]=4 205 B14R1.439 CCOC1=C(O)C=CC(CC(=O)O)=C1 12537 [0,2,0,0,0,0|1,0,0]=3 206 B14R1.3651 COC1=C(OC)C=C(CC(=O)O)C=C1 12394 [0,2,0,0,0,0|1,0,0]=3 207 B14R1.3651 COC1=C(OC)C=C(CC(C)=O)C=C1 15020 [0,2,0,0,0,0|0,0,1]=3 208 B14R1.3651 COC1=C(OC)C=C(CC(C)N)C=C1 16299 [0,2,0,0,0,0|0,0,2]=4 209 B14R1.3651 COC1=C(OC)C=C(C[C@@H](C)O)C=C1 15584 [0,2,0,0,0,0|0,0,2]=4 210 B14R1.3651 COC1=C(OC)C=C(C[C@H](C)O)C=C1 23471 [0,2,0,0,0,0|0,0,2]=4 211 B14R1.3651 COC1=C(OC)C=C(NC(=N)N)C=C1 22166 [0,2,0,0,0,0|2,0,0]=4 212 B14R1.42 COC1=C(F)C=CC(\C=C\C(=O)O)=C1 1954 [0,2,0,0,0,0|1,0,1]=4 213 B14R1.42 COC1=C(O)C=CC(CCC(=O)O)=C1 36106 [0,2,0,0,0,0|0,0,1]=3 214 B14R1.42 COC1=C(O)C=CC(CC[N+](=O)[O-])=C1 19446 [0,2,0,0,0,0|1,0,1]=4 215 B14R1.42 COC1=C(O)C=CC(\C=C\C(=O)O)=C1 8183 [0,2,0,0,0,0|0,0,1]=3 216 B14R1.42 COC1=C(O)C=CC(\C=C\[N+](=O)[O-])=C1 19447 [0,2,0,0,0,0|1,0,1]=4 217 B14R1.3236 C=CCC1=CC(C=O)=C(O)C(OC)=C1 36152 [0,2,0,0,0,0|0,0,0]=2 218 B12R2.44 CCC1=CC=C2C=CNC2=C1 22663 [1,0,0,1,0,0|2,0,0]=4 219 B12R2.44 COC1=CC2=C(C=C1)N=CN2 7662 [1,0,0,1,0,0|2,0,0]=4 220 B12R2.44 COC1=CC2=C(C=CO2)C=C1 33547 [1,0,0,1,0,0|1,0,0]=3 221 B12R2.44 COC1=CC2=C(C=CS2)C=C1 27294 [1,0,0,1,0,0|1,0,0]=3 222 B12R2.44 COC1=CC=C2C=CNC2=C1 1701 [1,0,0,1,0,0|1,0,0]=3 223 B12R2.44 COC1=CC=C2C=CNC2=N1 19344 [1,0,0,1,0,0|2,0,0]=4 224 B12R2.44 COC1=CC=C2CNCC2=C1 17685 [1,0,0,1,0,0|1,0,1]=4 225 B12R2.44 COC1=CC=C2NC=CC2=C1 7432 [1,0,0,1,0,0|1,0,1]=4 226 B12R2.44 COC1=CC=C2NCCC2=C1 8318 [1,0,0,1,0,0|1,0,1]=4 227 B12R2.315 COC1=C2C=CNC2=CC=C1 7433 [1,0,0,1,0,0|1,0,0]=3 228 B12R2.315 COC1=C2C=CNC2=NC=C1 19358 [1,0,0,1,0,0|2,0,0]=4 229 B12R2.315 COC1=C2CNCC2=CC=C1 17686 [1,0,0,1,0,0|1,0,1]=4 230 B12R2.315 COC1=C2NC=CC2=CC=C1 7434 [1,0,0,1,0,0|1,0,1]=4 231 B12R2.82 OC1=CC=C2NC=CC2=C1F 26275 [1,0,0,1,0,0|2,0,0]=4 232 B12R2.100 CC1=C(O)C=C2C=NNC2=C1 23781 [1,0,0,1,0,0|2,0,0]=4 233 B12R2.100 OC1=C(O)C=C2NCCC2=C1 17376 [1,0,0,1,0,0|1,0,1]=4 234 B14R2.966 N#C[C@H](O)C1=CC2=C(C=C1)OCO2 17474 [0,1,0,1,0,0|1,0,1]=4 235 B14R2.966 O=CC(=O)C1=CC2=C(C=C1)OCO2 12143 [0,1,0,1,0,0|1,0,1]=4 236 B14R2.966 O[C@H](CCl)C1=CC2=C(C=C1)OCO2 15580 [0,1,0,1,0,0|1,0,1]=4 237 B14R2.1008 C[C@@H](O)CC1=CC2=C(C=C1)OCO2 15588 [0,1,0,1,0,0|0,0,2]=4 238 B14R2.1008 N=C(N)NC1=CC2=C(C=C1)OCO2 22167 [0,1,0,1,0,0|2,0,0]=4 239 B14R2.1008 O=C(Cl)CC1=CC2=C(C=C1)OCO2 44846 [0,1,0,1,0,0|1,0,0]=3 240 B14R2.1008 O=C(O)CC1=CC2=C(C=C1)OCC2 9983 [0,1,0,1,0,0|2,0,0]=4 241 B14R2.1008 O=C(O)Cc1ccc2c(c1)OCO2 24196 [0,1,0,1,0,0|1,0,0]=3 242 B14R2.82 COC1=C(OC)C=C2NC=CC2=C1 7329 [0,1,0,1,0,0|1,0,0]=3 243 B14R2.82 COC1=CC2=C(C=C1OC)NC=N2 7603 [0,1,0,1,0,0|2,0,0]=4 244 B14R2.82 COC1=CC2=C(C=C1OC)SC=N2 25155 [0,1,0,1,0,0|2,0,0]=4 245 B14R2.1238 COC1=CC=C2NC=CC2=C1OC 34583 [0,1,0,1,0,0|1,0,0]=3 246 B14R2.991 OCCNC1=CC2=C(C=C1)OCO2 35412 [0,1,0,1,0,0|1,0,1]=4 247 B14R2.991 S=C=NCC1=CC2=C(C=C1)OCO2 9883 [0,1,0,1,0,0|1,0,1]=4 248 B14R2.1128 COC1=C(O)C=C2C=NCCC2=C1 12735 [0,1,0,1,0,0|0,0,1]=3 249 B14R2.1416 COC1=C(Cl)C=C2C(=O)CCC2=C1 17721 [0,1,0,1,0,0|1,0,1]=4