0 B11R1.280 C#CC1=CC(C=O)=C(O)C=C1 81485 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.280 CCC1=C(Br)C=CC(OC)=C1 72075 [0,0,0,0,0,0|4,0,0]=4 2 B11R1.280 CCC1=C(F)C=CC(CO)=C1 F31368 [0,0,0,0,0,0|2,0,2]=4 3 B11R1.280 CNC1=CC(OC)=C(F)C=C1 D94417 [0,0,0,0,0,0|3,0,0]=3 4 B11R1.280 COC1=C(Br)C=CC(C#N)=N1 96347 [0,0,0,0,0,0|3,0,1]=4 5 B11R1.280 COC1=C(Br)C=CC(CBr)=C1 F52556 [0,0,0,0,0,0|2,0,1]=3 6 B11R1.280 COC1=C(Br)C=NC(CO)=C1 54903 [0,0,0,0,0,0|2,0,2]=4 7 B11R1.280 COC1=C(C)C=CC(CN)=C1 78978 [0,0,0,0,0,0|2,0,1]=3 8 B11R1.280 COC1=C(C)C=CC(CN)=C1 N12583 [0,0,0,0,0,0|2,0,1]=3 9 B11R1.280 COC1=C(Cl)C=CC(C=O)=N1 D80224 [0,0,0,0,0,0|2,0,0]=2 10 B11R1.280 COC1=C(Cl)C=CC(CBr)=C1 76075 [0,0,0,0,0,0|2,0,1]=3 11 B11R1.280 COC1=C(Cl)C=CC(CN)=C1 76074 [0,0,0,0,0,0|2,0,1]=3 12 B11R1.280 COC1=C(Cl)C=CC(CO)=C1 VT1204 [0,0,0,0,0,0|1,0,2]=3 13 B11R1.280 COC1=C(Cl)C=CC(NN)=C1 AT23120 [0,0,0,0,0,0|3,0,0]=3 14 B11R1.280 COC1=C(Cl)C=CC(NN)=C1 F17081 [0,0,0,0,0,0|3,0,0]=3 15 B11R1.280 COC1=C(F)C=CC(NN)=C1 AB9353 [0,0,0,0,0,0|3,0,0]=3 16 B11R1.280 COC1=C(N)C=CC(C=O)=C1 C90569 [0,0,0,0,0,0|1,0,0]=1 17 B11R1.280 COC1=C(N)C=CC(CO)=C1 F20106 [0,0,0,0,0,0|1,0,2]=3 18 B11R1.280 COC1=CC(C=O)=CN=C1F P18769 [0,0,0,0,0,0|2,0,0]=2 19 B11R1.280 COC1=CC(CO)=C(O)C=C1 W16040 [0,0,0,0,0,0|4,0,0]=4 20 B11R1.280 COC1=CC(OC)=C(N)N=C1 28153 [0,0,0,0,0,0|4,0,0]=4 21 B11R1.280 COC1=CC(OC)=NC=C1N 28154 [0,0,0,0,0,0|4,0,0]=4 22 B11R1.280 CSC1=CC(C=O)=C(O)C=C1 W18512 [0,0,0,0,0,0|4,0,0]=4 23 B11R1.280 N#CC1=C(Cl)C=CC(C=O)=C1 O10735 [0,0,0,0,0,0|3,0,0]=3 24 B11R1.280 O=CC1=C(O)C=CC(CO)=C1 D76276 [0,0,0,0,0,0|2,0,2]=4 25 B10R1.30 CC1=CC(C#N)=C(O)C=C1 90838 [1,0,0,0,0,0|2,0,1]=4 26 B10R1.30 CC1=CC(CO)=C(O)C=C1 A11080 [1,0,0,0,0,0|2,0,1]=4 27 B10R1.30 CCC1=C(N)C=CC(F)=C1 D83440 [1,0,0,0,0,0|3,0,0]=4 28 B10R1.30 CCC1=C(O)C=CC(C)=N1 T71674 [1,0,0,0,0,0|2,0,1]=4 29 B10R1.30 CNC1=C(C)C=CC(Cl)=C1 W16029 [1,0,0,0,0,0|3,0,0]=4 30 B10R1.30 CNC1=C(C)C=CC(O)=C1 C75943 [1,0,0,0,0,0|2,0,1]=4 31 B10R1.30 CNC1=C(N)C=CC(C)=C1 N12938 [1,0,0,0,0,0|2,0,1]=4 32 B10R1.30 COC1=C(Br)C=CC(Cl)=N1 88327 [1,0,0,0,0,0|3,0,0]=4 33 B10R1.30 COC1=C(Br)C=NC(C)=C1 N10207 [1,0,0,0,0,0|2,0,1]=4 34 B10R1.30 COC1=C(Br)C=NC(F)=C1 FD10681 [1,0,0,0,0,0|3,0,0]=4 35 B10R1.30 COC1=C(Cl)C=CC(Br)=N1 D83067 [1,0,0,0,0,0|3,0,0]=4 36 B10R1.30 COC1=C(Cl)C=NC(N)=C1 A10702 [1,0,0,0,0,0|3,0,0]=4 37 B10R1.30 COC1=C(I)C=CC(Br)=N1 W18510 [1,0,0,0,0,0|3,0,0]=4 38 B10R1.30 COC1=C(I)C=CC(C)=C1 Y14673 [1,0,0,0,0,0|1,0,1]=3 39 B10R1.30 COC1=C(I)C=CC(N)=C1 C71377 [1,0,0,0,0,0|2,0,0]=3 40 B10R1.30 COC1=C(I)C=NC(Cl)=C1 C71858 [1,0,0,0,0,0|3,0,0]=4 41 B10R1.30 COC1=C(I)C=NC(N)=C1 D76350 [1,0,0,0,0,0|3,0,0]=4 42 B10R1.30 COC1=C(N)C=CC(Cl)=C1 AB2767 [1,0,0,0,0,0|2,0,0]=3 43 B10R1.30 COC1=C(N)C=CC(N)=C1 E10141 [1,0,0,0,0,0|2,0,0]=3 44 B10R1.30 COC1=C(N)C=CC(O)=C1 30482 [1,0,0,0,0,0|1,0,1]=3 45 B10R1.30 COC1=C(O)C=CC(Br)=N1 C11325 [1,0,0,0,0,0|2,0,0]=3 46 B10R1.30 COC1=CC(=O)NN=C1Cl F20647 [1,0,0,0,0,0|3,0,0]=4 47 B10R1.30 COC1=CC(Br)=CN=C1C 82190 [1,0,0,0,0,0|3,0,0]=4 48 B10R1.30 COC1=CC(Br)=NC=C1Br 94342 [1,0,0,0,0,0|3,0,0]=4 49 B10R1.30 COC1=CC(Br)=NC=C1C A11960 [1,0,0,0,0,0|3,0,0]=4 50 B10R1.30 COC1=CC(Cl)=NC=C1Cl 26260 [1,0,0,0,0,0|3,0,0]=4 51 B10R1.30 COC1=CC(Cl)=NC=C1N C72019 [1,0,0,0,0,0|3,0,0]=4 52 B10R1.30 COC1=CC(N)=CN=C1Cl 54845 [1,0,0,0,0,0|3,0,0]=4 53 B10R1.30 CSC1=C(C)C=CC(Cl)=C1 D83340 [1,0,0,0,0,0|2,1,0]=4 54 B10R1.30 N#CC1=C(O)C=CC(O)=C1 C75243 [1,0,0,0,0,0|2,0,1]=4 55 B10R1.30 NCC1=C(O)C=CC(Br)=C1 O10496 [1,0,0,0,0,0|3,0,0]=4 56 B10R1.172 C#CC1=CC=CC(C=O)=C1 F21254 [1,0,0,0,0,0|1,0,1]=3 57 B10R1.172 C#CC1=CC=CC(SC)=C1 W13076 [1,0,0,0,0,0|1,1,1]=4 58 B10R1.172 C=CC1=CC=CC(C=O)=C1 C15241 [1,0,0,0,0,0|1,0,1]=3 59 B10R1.172 C=CC1=CC=CC(C=O)=N1 W15331 [1,0,0,0,0,0|2,0,1]=4 60 B10R1.172 C=CC1=NC=CC(OC)=C1 52910 [1,0,0,0,0,0|2,0,0]=3 61 B10R1.172 CCC1=CC=CC(C=O)=N1 87877 [1,0,0,0,0,0|2,0,0]=3 62 B10R1.172 CNC1=CC(OC)=NC=C1 F13448 [1,0,0,0,0,0|3,0,0]=4 63 B10R1.172 CNC1=CC=CC(C#N)=C1 O10890 [1,0,0,0,0,0|2,0,1]=4 64 B10R1.172 CNC1=CC=CC(NC)=C1 76715 [1,0,0,0,0,0|3,0,0]=4 65 B10R1.172 CNC1=NC=CC(C=O)=N1 26519 [1,0,0,0,0,0|3,0,0]=4 66 B10R1.172 COC1=CC=CC(CCl)=N1 36534 [1,0,0,0,0,0|2,0,1]=4 67 B10R1.172 COC1=CN=CC(CN)=C1 38429 [1,0,0,0,0,0|2,0,1]=4 68 B10R1.172 COC1=CN=CC(CN)=C1 Y14791 [1,0,0,0,0,0|2,0,1]=4 69 B10R1.172 COC1=CN=CC(OC)=C1 24562 [1,0,0,0,0,0|3,0,0]=4 70 B10R1.172 COC1=NC(CN)=CC=C1 Y11459 [1,0,0,0,0,0|2,0,1]=4 71 B10R1.172 COC1=NC=CC(C=O)=N1 27203 [1,0,0,0,0,0|2,0,0]=3 72 B10R1.172 COC1=NC=CC(CCl)=C1 82046 [1,0,0,0,0,0|2,0,1]=4 73 B10R1.172 COC1=NC=CC(CN)=C1 36533 [1,0,0,0,0,0|2,0,1]=4 74 B10R1.172 COC1=NC=CC(CN)=C1 Y13036 [1,0,0,0,0,0|2,0,1]=4 75 B10R1.172 CSC1=NC(C=O)=CC=N1 26756 [1,0,0,0,0,0|2,1,0]=4 76 B10R1.172 N#CC1=CC(C=O)=CN=C1 P10440 [1,0,0,0,0,0|3,0,0]=4 77 B10R1.172 N#CC1=CC(C=O)=NC=C1 FD10588 [1,0,0,0,0,0|3,0,0]=4 78 B10R1.172 N#CC1=CC=CC(C=O)=N1 P10169 [1,0,0,0,0,0|3,0,0]=4 79 B10R1.172 N#CC1=NC=CC(C=O)=C1 P10358 [1,0,0,0,0,0|3,0,0]=4 80 B10R1.172 O=CC1=CC(CO)=CC=C1 N13346 [1,0,0,0,0,0|2,0,0]=3 81 B10R1.172 O=CC1=CC=CC(CF)=N1 C73928 [1,0,0,0,0,0|3,0,0]=4 82 B10R1.172 O=CC1=NC(CO)=CC=C1 78596 [1,0,0,0,0,0|3,0,0]=4 83 B10R1.176 C=CC1=CC(Cl)=C(Cl)C=C1 C15264 [1,0,0,0,0,0|3,0,0]=4 84 B10R1.176 C=CC1=CC(F)=C(Cl)C=C1 S10073 [1,0,0,0,0,0|3,0,0]=4 85 B10R1.176 C=CC1=CC(I)=C(O)C=C1 D94289 [1,0,0,0,0,0|2,0,0]=3 86 B10R1.176 CC1=C(Br)C=C(C=O)N=C1 CS1689 [1,0,0,0,0,0|3,0,0]=4 87 B10R1.176 CC1=C(Br)C=CC(CN)=C1 N12558 [1,0,0,0,0,0|2,0,1]=4 88 B10R1.176 CC1=C(Br)C=CC(CN)=C1 Y12257 [1,0,0,0,0,0|2,0,1]=4 89 B10R1.176 CC1=C(F)C=CC(C=O)=N1 P10585 [1,0,0,0,0,0|2,0,0]=3 90 B10R1.176 CC1=C(F)C=CC(CBr)=C1 D87871 [1,0,0,0,0,0|2,0,1]=4 91 B10R1.176 CC1=C(O)C=C(C=O)C=C1 W16814 [1,0,0,0,0,0|1,0,0]=2 92 B10R1.176 CC1=C(O)C=CC(C#N)=C1 O11240 [1,0,0,0,0,0|1,0,1]=3 93 B10R1.176 CC1=C(O)C=CC(CN)=C1 N14331 [1,0,0,0,0,0|1,0,1]=3 94 B10R1.176 CC1=C(O)C=CC(CO)=C1 C73536 [1,0,0,0,0,0|0,0,2]=3 95 B10R1.176 CC1=C(O)C=NC(C#N)=C1 W16878 [1,0,0,0,0,0|2,0,1]=4 96 B10R1.176 CC1=CC(C=O)=CN=C1Br 78107 [1,0,0,0,0,0|2,0,0]=3 97 B10R1.176 CCC1=CC(C)=C(C)C=C1 C77212 [1,0,0,0,0,0|2,0,1]=4 98 B10R1.176 CCC1=CC(C)=C(I)C=C1 W17700 [1,0,0,0,0,0|2,0,1]=4 99 B10R1.176 CCC1=CC(O)=C(Cl)C=C1 O10732 [1,0,0,0,0,0|2,0,1]=4 100 B10R1.176 CN1C=C(C=O)C=CC1=O H11166 [1,0,0,0,0,0|1,0,1]=3 101 B10R1.176 COC1=CC(O)=C(N)C=C1 20700 [1,0,0,0,0,0|3,0,0]=4 102 B10R1.176 COC1=CC(O)=C(O)C=C1 F18177 [1,0,0,0,0,0|2,0,0]=3 103 B10R1.176 N#CC1=CC(O)=C(Cl)C=C1 C75425 [1,0,0,0,0,0|2,0,1]=4 104 B10R1.176 N#CC1=CC(O)=C(I)C=C1 35341 [1,0,0,0,0,0|2,0,1]=4 105 B10R1.176 N#CC1=CC(O)=C(N)C=C1 35473 [1,0,0,0,0,0|2,0,1]=4 106 B10R1.176 NC1=C(O)C=CC(CO)=C1 Y13579 [1,0,0,0,0,0|1,0,2]=4 107 B10R1.176 NCC1=CC(O)=C(Cl)C=C1 Y11334 [1,0,0,0,0,0|2,0,1]=4 108 B10R1.176 NCC1=CC(O)=C(F)C=C1 D71055 [1,0,0,0,0,0|2,0,1]=4 109 B10R1.176 NCC1=CC(O)=C(O)C=C1 S11863 [1,0,0,0,0,0|1,0,1]=3 110 B10R1.176 O=CC1=CC(Cl)=C(O)N=C1 A12705 [1,0,0,0,0,0|2,0,0]=3 111 B10R1.176 O=CC1=CC(F)=C(I)C=C1 23742 [1,0,0,0,0,0|2,0,0]=3 112 B10R1.176 O=CC1=CC(I)=C(F)C=C1 34606 [1,0,0,0,0,0|2,0,0]=3 113 B10R1.176 O=CC1=CC(O)=C(Br)C=C1 34572 [1,0,0,0,0,0|1,0,0]=2 114 B10R1.176 O=CC1=CC(O)=C(I)C=C1 62940 [1,0,0,0,0,0|1,0,0]=2 115 B10R1.176 O=CC1=CC=C(Cl)C(Br)=N1 C14399 [1,0,0,0,0,0|3,0,0]=4 116 B10R1.176 O=CC1=CN=C(Br)C(F)=C1 O11553 [1,0,0,0,0,0|3,0,0]=4 117 B10R1.176 O=CC1=CN=C(Cl)C(Cl)=C1 97698 [1,0,0,0,0,0|3,0,0]=4 118 B10R1.176 O=CC1=CN=C(Cl)C(F)=C1 C16801 [1,0,0,0,0,0|3,0,0]=4 119 B10R1.176 O=CC1=NC(Cl)=C(Br)C=C1 32221 [1,0,0,0,0,0|3,0,0]=4 120 B10R1.176 OC1=C(F)C=CC(CCl)=C1 D79295 [1,0,0,0,0,0|2,0,1]=4 121 B10R1.176 OCC1=CC(O)=C(F)C=C1 C77207 [1,0,0,0,0,0|1,0,2]=4 122 B12R1.56 CCC1=C(N)C=CC(C(=O)O)=C1 34928 [0,1,0,0,0,0|2,0,0]=3 123 B12R1.56 COC1=C(Br)C=CC(C(C)=O)=C1 W17726 [0,1,0,0,0,0|1,0,0]=2 124 B12R1.56 COC1=C(Br)C=CC([C@H](C)N)=C1 Y13407 [0,1,0,0,0,0|2,0,1]=4 125 B12R1.56 COC1=C(Br)C=NC(C(=O)O)=C1 54904 [0,1,0,0,0,0|2,0,0]=3 126 B12R1.56 COC1=C(C)C=CC(C(C)=O)=C1 CL9533 [0,1,0,0,0,0|1,0,0]=2 127 B12R1.56 COC1=C(Cl)C=CC(C(=O)O)=N1 36093 [0,1,0,0,0,0|2,0,0]=3 128 B12R1.56 COC1=C(F)C=CC([C@H](C)N)=C1 N11045 [0,1,0,0,0,0|2,0,1]=4 129 B12R1.56 COC1=C(F)C=CC([C@H](C)N)=C1 Y10259 [0,1,0,0,0,0|2,0,1]=4 130 B12R1.56 COC1=C(F)C=CC([C@H](C)N)=C1 Y10260 [0,1,0,0,0,0|2,0,1]=4 131 B12R1.56 COC1=C(F)C=CC([C@H](C)N)=C1 Y11658 [0,1,0,0,0,0|2,0,1]=4 132 B12R1.56 COC1=C(F)C=NC(C(C)=O)=N1 79436 [0,1,0,0,0,0|3,0,0]=4 133 B12R1.56 COC1=C(I)C=CC(C(=O)O)=C1 AT15468 [0,1,0,0,0,0|1,0,0]=2 134 B12R1.56 COC1=C(O)C=CC(B(O)O)=C1 Y13466 [0,1,0,0,0,0|1,0,1]=3 135 B12R1.56 COC1=CC(C(=O)O)=CN=C1I W12409 [0,1,0,0,0,0|2,0,0]=3 136 B12R1.56 COC1=CC(C(N)=O)=CN=C1Cl D79886 [0,1,0,0,0,0|2,0,0]=3 137 B12R1.56 COC1=CC([N+](=O)[O-])=CN=C1O 54841 [0,1,0,0,0,0|2,0,0]=3 138 B12R1.56 CSC1=C(Cl)C=CC(C(=O)O)=C1 AR3416 [0,1,0,0,0,0|1,1,0]=3 139 B12R1.56 N#CC1=C(N)C=CC(C(=O)O)=C1 CL9205 [0,1,0,0,0,0|3,0,0]=4 140 B12R1.56 N#CC1=C(O)C=CC(C(=O)O)=C1 59544 [0,1,0,0,0,0|2,0,0]=3 141 B12R1.56 N#CC1=CC(C(=O)O)=CN=C1O AC4208 [0,1,0,0,0,0|3,0,0]=4 142 B12R1.78 C#CC1=C(OC)C=C(C#N)C=C1 50153 [0,1,0,0,0,0|2,0,1]=4 143 B12R1.78 CCC1=C(OC)C=CC(OC)=C1 Y14613 [0,1,0,0,0,0|3,0,0]=4 144 B12R1.78 CCC1=CC(OC)=C(OC)C=C1 C75755 [0,1,0,0,0,0|1,0,1]=3 145 B12R1.78 COC1=C(C#N)C=CC(C=O)=C1 D76548 [0,1,0,0,0,0|1,0,0]=2 146 B12R1.78 COC1=C(OC)C=C(CO)N=C1 S10719 [0,1,0,0,0,0|1,0,2]=4 147 B12R1.78 COC1=C(OC)C=C(NN)C=C1 77968 [0,1,0,0,0,0|2,0,0]=3 148 B12R1.78 COC1=CC(C=O)=CN=C1OC 72230 [0,1,0,0,0,0|1,0,0]=2 149 B12R1.78 COC1=CC=C(C#N)N=C1OC 50603 [0,1,0,0,0,0|2,0,1]=4 150 B12R1.78 N#CC1=C(C#N)C=C(C=O)C=C1 D83383 [0,1,0,0,0,0|3,0,0]=4 151 B12R1.270 COCC1=C(Br)C=CC(OC)=C1 N10202 [0,1,0,0,0,0|3,0,0]=4 152 B12R1.286 COC1=C(Br)C=CC(CCN)=C1 63217 [0,1,0,0,0,0|2,0,1]=4 153 B12R1.286 COC1=C(Cl)C=CC(CC#N)=C1 C10148 [0,1,0,0,0,0|2,0,1]=4 154 B12R1.300 COC1=C(O)C(C)=CC(C#N)=C1 P12388 [0,1,0,0,0,0|1,0,1]=3 155 B12R1.300 COC1=CC(Br)=C(Cl)C(OC)=C1 AB10219 [0,1,0,0,0,0|3,0,0]=4 156 B12R1.300 COC1=CC(Cl)=C(N)C(OC)=C1 C76640 [0,1,0,0,0,0|3,0,0]=4 157 B12R1.300 COC1=CC(F)=C(Br)C(OC)=C1 34705 [0,1,0,0,0,0|3,0,0]=4 158 B12R1.300 COC1=CC(OC)=C(Br)C(C)=C1 W17918 [0,1,0,0,0,0|3,0,0]=4 159 B12R1.300 COC1=CC(OC)=C(Cl)C(N)=C1 21182 [0,1,0,0,0,0|3,0,0]=4 160 B12R1.449 COC1=CC(C#N)=C(Cl)C=C1N D86636 [0,1,0,0,0,0|2,0,1]=4 161 B12R1.449 COC1=CC(C#N)=C(F)C=C1N 84213 [0,1,0,0,0,0|2,0,1]=4 162 B12R1.449 COC1=CC(OC)=C(F)C=C1F AC6835 [0,1,0,0,0,0|3,0,0]=4 163 B12R1.449 N#CC1=C(F)C=C(F)C(C=O)=C1 CL9448 [0,1,0,0,0,0|3,0,0]=4 164 B12R1.453 CC1=C(C(=O)O)C=C(C=O)C=C1 CL9400 [0,1,0,0,0,0|3,0,0]=4 165 B12R1.453 COC1=CC(C(C)C)=C(O)C=C1 F50793 [0,1,0,0,0,0|3,0,0]=4 166 B12R1.453 NC(=O)C1=C(O)C=CC(C=O)=C1 P16788 [0,1,0,0,0,0|2,0,0]=3 167 B12R1.453 NC1=C([N+](=O)[O-])C=C(C=O)C=C1 C75433 [0,1,0,0,0,0|3,0,0]=4 168 B12R1.453 O=CC1=CC(B(O)O)=C(O)C=C1 C15304 [0,1,0,0,0,0|2,0,0]=3 169 B12R1.453 O=CC1=CC(C(=O)O)=C(Br)C=C1 D83958 [0,1,0,0,0,0|3,0,0]=4 170 B12R1.654 COC1=C(Br)C=CC(C#N)=C1F CL9394 [0,1,0,0,0,0|2,0,1]=4 171 B12R1.654 COC1=C(C)C(C=O)=NC=C1C P19776 [0,1,0,0,0,0|2,0,0]=3 172 B12R1.654 COC1=C(F)C(C#N)=CC=C1F 35286 [0,1,0,0,0,0|2,0,1]=4 173 B12R1.654 COC1=C(O)C=CC(C=O)=C1O W17931 [0,1,0,0,0,0|0,0,0]=1 174 B12R2.44 C#CC1=CC2=C(C=C1)OCO2 S12364 [0,0,0,1,0,0|1,0,1]=3 175 B12R2.44 C=CC1=CC2=C(C=C1)OCO2 S11942 [0,0,0,1,0,0|1,0,0]=2 176 B12R2.44 N#CC1=CC2=C(C=C1)CCO2 P20227 [0,0,0,1,0,0|2,0,1]=4 177 B12R2.44 NCC1=CC2=C(C=C1)CCO2 N14319 [0,0,0,1,0,0|2,0,1]=4 178 B12R2.44 NCC1=CC2=C(C=C1)CCO2 Y13364 [0,0,0,1,0,0|2,0,1]=4 179 B12R2.44 O=CC1=CC2=C(C=C1)COC2 71932 [0,0,0,1,0,0|3,0,0]=4 180 B12R2.44 O=CC1=CC2=C(C=C1)N=CO2 F11397 [0,0,0,1,0,0|1,0,1]=3 181 B12R2.44 O=CC1=CC2=C(C=C1)OC=N2 Y10438 [0,0,0,1,0,0|1,0,1]=3 182 B12R2.44 O=CC1=CC2=C(C=C1)SC=N2 F13990 [0,0,0,1,0,0|1,1,1]=4 183 B12R2.44 O=CC1=CC2=C(C=CS2)C=C1 F18049 [0,0,0,1,0,0|1,1,1]=4 184 B12R2.44 O=CC1=NC=C2OC=CC2=C1 27730 [0,0,0,1,0,0|2,0,1]=4 185 B12R2.44 OCC1=CC2=C(C=C1)CCO2 Y10452 [0,0,0,1,0,0|1,0,2]=4 186 B9R1.2 C=CC1=CC(C)=CC=C1 F16162 [2,0,0,0,0,0|1,0,0]=3 187 B9R1.2 C=CC1=CC(C)=CN=C1 79122 [2,0,0,0,0,0|2,0,0]=4 188 B9R1.2 C=CC1=NC(C)=CC=C1 C71408 [2,0,0,0,0,0|2,0,0]=4 189 B9R1.2 CC1=CN=CC(C=O)=N1 72066 [2,0,0,0,0,0|2,0,0]=4 190 B9R1.2 CNC1=CC(N)=CC=C1 36494 [2,0,0,0,0,0|2,0,0]=4 191 B9R1.2 COC1=CC(=O)NC=C1 25837 [2,0,0,0,0,0|1,0,0]=3 192 B9R1.2 CSC1=CC(F)=CC=C1 A12732 [2,0,0,0,0,0|1,1,0]=4 193 B9R1.2 CSC1=CC(O)=CC=C1 W12966 [2,0,0,0,0,0|0,1,1]=4 194 B9R1.2 NC1=CC=CC(C=O)=C1 CK2096 [2,0,0,0,0,0|1,0,0]=3 195 B9R1.2 NC1=CC=CC(C=O)=N1 D70565 [2,0,0,0,0,0|2,0,0]=4 196 B9R1.2 O=CC1=CC=CC(=O)N1 N12900 [2,0,0,0,0,0|1,0,1]=4 197 B9R1.2 O=CC1=C[N+]([O-])=CC=C1 O11007 [2,0,0,0,0,0|1,0,1]=4 198 B9R1.2 O=CC1=NC=CC(O)=C1 W18365 [2,0,0,0,0,0|1,0,0]=3 199 B9R1.2 O=CC1=NC=NC(O)=C1 82364 [2,0,0,0,0,0|2,0,0]=4 200 B9R1.15 CCC1=C(F)C=CC=C1 F20938 [2,0,0,0,0,0|2,0,0]=4 201 B9R1.15 CCC1=C(O)C=CC=N1 71246 [2,0,0,0,0,0|2,0,0]=4 202 B9R1.15 COC1=C(Br)C=CN=C1 26564 [2,0,0,0,0,0|2,0,0]=4 203 B9R1.15 COC1=C(I)C=CN=C1 D82954 [2,0,0,0,0,0|2,0,0]=4 204 B9R1.15 COC1=C(N)C=CN=C1 35474 [2,0,0,0,0,0|2,0,0]=4 205 B9R1.15 COC1=C(O)C=NC=C1 79066 [2,0,0,0,0,0|1,0,0]=3 206 B9R1.15 COC1=NC=CC=C1C C73664 [2,0,0,0,0,0|2,0,0]=4 207 B9R1.69 CC1=C(F)C=CC(Br)=C1 AC7936 [2,0,0,0,0,0|2,0,0]=4 208 B9R1.69 CC1=C(N)C=CC(N)=C1 D87687 [2,0,0,0,0,0|2,0,0]=4 209 B9R1.69 CC1=C(O)C=C(I)C=C1 D76555 [2,0,0,0,0,0|2,0,0]=4 210 B9R1.69 CC1=C(O)C=CC(S)=C1 63544 [2,0,0,0,0,0|0,1,0]=3 211 B9R1.69 NC1=C(O)C=CC(O)=C1 D82359 [2,0,0,0,0,0|1,0,1]=4 212 B9R1.69 NC1=CC(O)=C(F)C=C1 53863 [2,0,0,0,0,0|2,0,0]=4 213 B9R1.69 NC1=CC(O)=C(N)C=C1 Y10783 [2,0,0,0,0,0|2,0,0]=4 214 B9R1.69 O=C1C=CC(=O)C(Br)=C1 T70875 [2,0,0,0,0,0|1,0,1]=4 215 B9R1.69 OC1=C(F)C=CC(I)=C1 26402 [2,0,0,0,0,0|2,0,0]=4 216 B9R1.1 CNC1=CC=C(O)C=C1 D77985 [2,0,0,0,0,0|2,0,0]=4 217 B9R1.1 C[N+]1=CC=C(C=O)C=C1 D95156 [2,0,0,0,0,0|2,0,0]=4 218 B9R1.1 NC1=CN=C(C=O)C=C1 D77164 [2,0,0,0,0,0|2,0,0]=4 219 B9R1.1 NCC1=CC=C(O)C=C1 AC1832 [2,0,0,0,0,0|1,0,1]=4 220 B9R1.1 O=CC1=CN=C(O)N=C1 86751 [2,0,0,0,0,0|2,0,0]=4 221 B9R1.1 O=CC1=NN=C(O)C=C1 C77199 [2,0,0,0,0,0|2,0,0]=4 222 B11R1.8 COC1=C(C)C(C)=CC(C)=C1 D70095 [1,1,0,0,0,0|1,0,1]=4 223 B11R1.8 COC1=C(C)C(N)=CC(Br)=C1 90646 [1,1,0,0,0,0|2,0,0]=4 224 B11R1.8 COC1=C(O)C(C)=CC(Br)=C1 39208 [1,1,0,0,0,0|1,0,0]=3 225 B11R1.8 COC1=CC(Br)=CC(F)=C1Cl 95554 [1,1,0,0,0,0|2,0,0]=4 226 B11R1.8 COC1=CC(Cl)=CC(Cl)=C1I 53005 [1,1,0,0,0,0|2,0,0]=4 227 B11R1.8 COC1=CC(F)=CC(Br)=C1N W11164 [1,1,0,0,0,0|2,0,0]=4 228 B11R1.37 CCC1=C(OC)C=CC(Br)=C1 C74737 [1,1,0,0,0,0|2,0,0]=4 229 B11R1.37 COC1=C(CO)C=CC(Br)=N1 N10745 [1,1,0,0,0,0|2,0,0]=4 230 B11R1.37 COC1=C(CO)C=CC(O)=C1 C71627 [1,1,0,0,0,0|0,0,1]=3 231 B11R1.37 COC1=C(NN)C=CC(Cl)=C1 W17153 [1,1,0,0,0,0|2,0,0]=4 232 B11R1.37 COC1=C(OC)C=C(N)N=C1 S10461 [1,1,0,0,0,0|2,0,0]=4 233 B11R1.37 COC1=C(SC)C=C(Br)C=C1 F15582 [1,1,0,0,0,0|1,1,0]=4 234 B11R1.37 COC1=C(SC)C=CC(N)=C1 72379 [1,1,0,0,0,0|1,1,0]=4 235 B11R1.37 COC1=CC(Br)=CN=C1OC 82178 [1,1,0,0,0,0|2,0,0]=4 236 B11R1.37 COC1=CC(C)=CN=C1OC C71876 [1,1,0,0,0,0|1,0,1]=4 237 B11R1.37 COC1=CC(Cl)=NC=C1CO D75692 [1,1,0,0,0,0|2,0,0]=4 238 B11R1.72 COC1=C(Cl)C=CC(Br)=C1Cl AT18855 [1,1,0,0,0,0|2,0,0]=4 239 B11R1.72 COC1=C(F)C(F)=CC=C1N 34413 [1,1,0,0,0,0|2,0,0]=4 240 B11R1.167 CC(C)C1=C(O)C=CC(O)=C1 S10162 [1,1,0,0,0,0|1,0,1]=4 241 B11R1.167 C[C@H](N)C1=C(O)C=CC(F)=C1 Y11757 [1,1,0,0,0,0|2,0,0]=4 242 B11R1.167 C[C@H](N)C1=C(O)C=CC(F)=C1 Y11758 [1,1,0,0,0,0|2,0,0]=4 243 B11R1.167 C[C@H](N)C1=C(O)C=CC(F)=C1 Y12285 [1,1,0,0,0,0|2,0,0]=4 244 B11R1.182 CNCC1=C(O)C=CC(Cl)=C1 31930 [1,1,0,0,0,0|2,0,0]=4 245 B11R1.182 CNCC1=C(O)C=CC(F)=C1 32252 [1,1,0,0,0,0|2,0,0]=4 246 B11R1.182 COCC1=C(F)C=CC(Br)=C1 N10199 [1,1,0,0,0,0|2,0,0]=4 247 B11R1.182 COCC1=C(N)C=CC(N)=C1 C74735 [1,1,0,0,0,0|2,0,0]=4 248 B11R1.182 OCCC1=C(O)C=CC(Br)=C1 W15209 [1,1,0,0,0,0|2,0,0]=4 249 B11R1.277 COC1=C(Br)C=C(Cl)C(N)=C1 F14461 [1,1,0,0,0,0|2,0,0]=4 250 B11R1.277 COC1=C(Br)C=C(N)C(N)=C1 AC2864 [1,1,0,0,0,0|2,0,0]=4 251 B11R1.277 COC1=C(Cl)C=C(C)C(N)=C1 F51099 [1,1,0,0,0,0|2,0,0]=4 252 B11R1.277 COC1=C(F)C=C(O)C(F)=C1 D85907 [1,1,0,0,0,0|2,0,0]=4 253 B11R1.277 COC1=C(I)C=C(F)C(Br)=C1 D86112 [1,1,0,0,0,0|2,0,0]=4 254 B11R1.277 COC1=C(I)C=C(I)C(N)=C1 N10276 [1,1,0,0,0,0|2,0,0]=4 255 B11R1.277 COC1=CC(Br)=C(F)C=C1Cl 56088 [1,1,0,0,0,0|2,0,0]=4 256 B11R1.277 COC1=CC(Br)=C(F)C=C1O 34437 [1,1,0,0,0,0|1,0,0]=3 257 B11R1.277 COC1=CC(C)=C(Br)C=C1Cl I10816 [1,1,0,0,0,0|1,0,1]=4 258 B11R1.277 COC1=CC(Cl)=C(I)C=C1N W13074 [1,1,0,0,0,0|2,0,0]=4 259 B11R1.277 COC1=CC(N)=C(Br)C=C1C CL9341 [1,1,0,0,0,0|2,0,0]=4 260 B11R1.277 COC1=CC(N)=C(Br)C=C1Cl 68730 [1,1,0,0,0,0|2,0,0]=4 261 B11R1.277 COC1=CC(N)=C(I)C=C1Cl 50057 [1,1,0,0,0,0|2,0,0]=4 262 B11R1.9 COC1=CC(CN)=CC(F)=C1 W18350 [1,1,0,0,0,0|1,0,1]=4 263 B11R1.9 COC1=CC(CO)=CC(C)=C1 O10087 [1,1,0,0,0,0|0,0,2]=4 264 B11R1.9 COC1=CC(O)=CC(C=O)=C1 C75678 [1,1,0,0,0,0|0,0,0]=2 265 B11R1.9 N#CC1=CC(C=O)=CC(Cl)=C1 CL8321 [1,1,0,0,0,0|2,0,0]=4 266 B11R1.189 COC1=CC=CC(CC=O)=C1 W16819 [1,1,0,0,0,0|0,0,0]=2 267 B11R1.189 COC1=CC=CC(CSC)=C1 W19464 [1,1,0,0,0,0|0,1,1]=4 268 B11R1.189 COCC1=CC(CN)=CC=C1 O10066 [1,1,0,0,0,0|1,0,1]=4 269 B11R1.189 COCC1=CC=CC(C=O)=C1 Y14420 [1,1,0,0,0,0|0,0,0]=2 270 B11R1.189 COCC1=CC=CC(C=O)=N1 C76996 [1,1,0,0,0,0|1,0,0]=3 271 B11R1.266 C=CC1=CC=CC(C(=O)O)=C1 F16168 [1,1,0,0,0,0|1,0,1]=4 272 B11R1.266 CCC1=CC(C(=O)O)=NC=C1 FD10613 [1,1,0,0,0,0|2,0,0]=4 273 B11R1.266 CCC1=CC=CC(C(=O)O)=C1 C13682 [1,1,0,0,0,0|1,0,0]=3 274 B11R1.266 CCC1=CC=CC([N+](=O)[O-])=C1 C76351 [1,1,0,0,0,0|2,0,0]=4 275 B11R1.266 CN(C)C1=CC(C=O)=NC=C1 N13375 [1,1,0,0,0,0|2,0,0]=4 276 B11R1.266 CNC1=CC=CC(C(=O)O)=N1 O11509 [1,1,0,0,0,0|2,0,0]=4 277 B11R1.266 CNC1=CC=CC([N+](=O)[O-])=C1 21307 [1,1,0,0,0,0|2,0,0]=4 278 B11R1.266 COC1=CC(C(=N)N)=NC=C1 67981 [1,1,0,0,0,0|2,0,0]=4 279 B11R1.266 COC1=CC(C(=O)O)=CN=N1 P13867 [1,1,0,0,0,0|2,0,0]=4 280 B11R1.266 COC1=CC(C(=O)O)=NC=N1 P10129 [1,1,0,0,0,0|2,0,0]=4 281 B11R1.266 COC1=CC(C(C)=O)=NC=C1 52385 [1,1,0,0,0,0|1,0,0]=3 282 B11R1.266 COC1=CC([C@H](C)N)=CC=C1 Y11422 [1,1,0,0,0,0|1,0,1]=4 283 B11R1.266 COC1=CC=CC(C(N)=O)=N1 C77359 [1,1,0,0,0,0|1,0,0]=3 284 B11R1.266 COC1=CC=NC(C(C)=O)=N1 D83386 [1,1,0,0,0,0|2,0,0]=4 285 B11R1.266 COC1=CN=CC(C(=O)O)=N1 26232 [1,1,0,0,0,0|2,0,0]=4 286 B11R1.266 COC1=NC=CC(C(=O)O)=N1 C76423 [1,1,0,0,0,0|2,0,0]=4 287 B11R1.266 COC1=NC=CC(C(C)=O)=C1 29192 [1,1,0,0,0,0|1,0,0]=3 288 B11R1.266 COC1=NC=CC(C(C)=O)=N1 D85888 [1,1,0,0,0,0|2,0,0]=4 289 B11R1.266 N#CC1=CC=CC(C(N)=O)=C1 C77669 [1,1,0,0,0,0|2,0,0]=4 290 B11R1.266 NC(=O)C1=CC(CO)=CC=C1 W12789 [1,1,0,0,0,0|2,0,0]=4 291 B11R1.266 O=C(O)C1=CC(CO)=CC=C1 AB9436 [1,1,0,0,0,0|2,0,0]=4 292 B11R1.267 CC1=C(C=O)C=CC=C1C#N CL9594 [1,1,0,0,0,0|2,0,0]=4 293 B11R1.267 COC1=C(Br)C(C#N)=CC=C1 F13391 [1,1,0,0,0,0|1,0,1]=4 294 B11R1.267 COC1=C(Br)C(C=O)=CC=C1 59975 [1,1,0,0,0,0|0,0,0]=2 295 B11R1.267 COC1=C(N)C(C#N)=CC=C1 35235 [1,1,0,0,0,0|1,0,1]=4 296 B11R1.267 COC1=C(N)C(CO)=CC=C1 C73902 [1,1,0,0,0,0|0,0,2]=4 297 B11R1.267 COC1=CC=CC(C=O)=C1C CL9336 [1,1,0,0,0,0|0,0,0]=2 298 B11R1.267 COC1=CC=CC(OC)=C1Cl F14475 [1,1,0,0,0,0|2,0,0]=4 299 B11R1.267 N#CC1=C(Br)C(C=O)=CC=C1 55889 [1,1,0,0,0,0|2,0,0]=4 300 B11R1.267 N#CC1=C(F)C(C=O)=CC=C1 D96246 [1,1,0,0,0,0|2,0,0]=4 301 B11R1.267 O=CC1=CC=CC(C=O)=C1O C74711 [1,1,0,0,0,0|2,0,0]=4 302 B11R1.14 CC1=C(I)C=C(C=O)C=C1I C76790 [1,1,0,0,0,0|2,0,0]=4 303 B11R1.14 CC1=CC(C=O)=CC(C)=C1Br 33547 [1,1,0,0,0,0|1,0,0]=3 304 B11R1.14 CC1=CC(C=O)=CC(F)=C1Br 97127 [1,1,0,0,0,0|1,0,0]=3 305 B11R1.14 CC1=CC(C=O)=CC(F)=C1F A11828 [1,1,0,0,0,0|1,0,0]=3 306 B11R1.14 NC1=C(Cl)C=C(C=O)C=C1Cl C75957 [1,1,0,0,0,0|2,0,0]=4 307 B11R1.14 O=CC1=CC(Br)=C(F)C(F)=C1 CL9630 [1,1,0,0,0,0|2,0,0]=4 308 B11R1.14 O=CC1=CC(Br)=C(O)C(Cl)=C1 D73187 [1,1,0,0,0,0|1,0,0]=3 309 B11R1.14 O=CC1=CC(Br)=C(O)C(O)=C1 D76360 [1,1,0,0,0,0|0,0,0]=2 310 B11R1.14 O=CC1=CC(Cl)=C(Cl)C(Cl)=C1 C10993 [1,1,0,0,0,0|2,0,0]=4 311 B11R1.14 O=CC1=CC(Cl)=C(Cl)C(F)=C1 34593 [1,1,0,0,0,0|2,0,0]=4 312 B11R1.14 O=CC1=CC(Cl)=C(F)C(F)=C1 CL9668 [1,1,0,0,0,0|2,0,0]=4 313 B11R1.14 O=CC1=CC(F)=C(F)C(O)=C1 CL9043 [1,1,0,0,0,0|1,0,0]=3 314 B11R1.14 O=CC1=CC(I)=C(F)C(I)=C1 Y10563 [1,1,0,0,0,0|2,0,0]=4 315 B11R1.21 CC(=O)C1=CC(Br)=C(I)C=C1 C77271 [1,1,0,0,0,0|2,0,0]=4 316 B11R1.21 CC(=O)C1=CC(C)=C(Br)C=N1 F53231 [1,1,0,0,0,0|2,0,0]=4 317 B11R1.21 CC(=O)C1=CC(Cl)=C(N)C=C1 20733 [1,1,0,0,0,0|2,0,0]=4 318 B11R1.21 CC(=O)C1=CC(Cl)=C(O)C=C1 C15500 [1,1,0,0,0,0|1,0,0]=3 319 B11R1.21 CC(=O)C1=CC(I)=C(N)C=C1 21187 [1,1,0,0,0,0|2,0,0]=4 320 B11R1.21 CC(=O)C1=CC(N)=C(C)C=C1 C73283 [1,1,0,0,0,0|2,0,0]=4 321 B11R1.21 CC(=O)C1=CC(N)=C(F)C=C1 FD17092 [1,1,0,0,0,0|2,0,0]=4 322 B11R1.21 CC(=O)C1=CC(N)=C(N)C=C1 D70632 [1,1,0,0,0,0|2,0,0]=4 323 B11R1.21 CC(=O)C1=CC(N)=C(O)C=C1 T71038 [1,1,0,0,0,0|1,0,0]=3 324 B11R1.21 CC(=O)C1=CC(O)=C(Br)C=C1 AB10068 [1,1,0,0,0,0|1,0,0]=3 325 B11R1.21 CC(=O)C1=CN(C)C(=O)C=C1 90627 [1,1,0,0,0,0|1,0,1]=4 326 B11R1.21 CC(=O)C1=CN=C(C)C(C)=C1 D93974 [1,1,0,0,0,0|2,0,0]=4 327 B11R1.21 CC(=O)C1=CN=C(Cl)C(C)=C1 C72016 [1,1,0,0,0,0|2,0,0]=4 328 B11R1.21 CC(=O)C1=CN=C(N)C(C)=C1 D80389 [1,1,0,0,0,0|2,0,0]=4 329 B11R1.21 CC1=C(C)N=C(C(=O)O)C=C1 C76662 [1,1,0,0,0,0|2,0,0]=4 330 B11R1.21 CC1=C(F)C=CC(C(N)=O)=C1 A51175 [1,1,0,0,0,0|1,0,0]=3 331 B11R1.21 CC1=C(O)C=CC(B(O)O)=C1 W17226 [1,1,0,0,0,0|1,0,1]=4 332 B11R1.21 CC1=C(O)C=CC(C(C)C)=C1 F14410 [1,1,0,0,0,0|1,0,1]=4 333 B11R1.21 CC1=C(O)C=CC([N+](=O)[O-])=N1 AC1635 [1,1,0,0,0,0|2,0,0]=4 334 B11R1.21 CC1=C(O)N=C(C(=O)O)C=C1 90209 [1,1,0,0,0,0|2,0,0]=4 335 B11R1.21 CC1=C(S)C=CC([N+](=O)[O-])=C1 N16881 [1,1,0,0,0,0|1,1,0]=4 336 B11R1.21 CC1=CC(C(=O)O)=CN=C1C D86774 [1,1,0,0,0,0|2,0,0]=4 337 B11R1.21 CC1=CC(C(=O)O)=CNC1=O RB1153 [1,1,0,0,0,0|1,0,1]=4 338 B11R1.21 CC1=CC(C(N)=O)=CN=C1C D93908 [1,1,0,0,0,0|2,0,0]=4 339 B11R1.21 CN1C=C(C(N)=O)C=CC1=O C76234 [1,1,0,0,0,0|1,0,1]=4 340 B11R1.21 NC(=O)C1=CC(F)=C(F)C=C1 D73480 [1,1,0,0,0,0|2,0,0]=4 341 B11R1.21 NC(=O)C1=CC(O)=C(Br)C=C1 AC7242 [1,1,0,0,0,0|1,0,0]=3 342 B11R1.21 NC(=O)C1=CC(O)=C(N)C=C1 Y11587 [1,1,0,0,0,0|1,0,0]=3 343 B11R1.21 NC1=C(I)C=CC(C(=O)O)=C1 S10893 [1,1,0,0,0,0|2,0,0]=4 344 B11R1.21 O=C(O)C1=CC(=O)C(O)=CN1 F31188 [1,1,0,0,0,0|1,0,1]=4 345 B11R1.21 O=C(O)C1=CC(Cl)=C(O)C=N1 P19208 [1,1,0,0,0,0|2,0,0]=4 346 B11R1.21 O=C(O)C1=CC(I)=C(I)C=C1 D84788 [1,1,0,0,0,0|2,0,0]=4 347 B11R1.21 O=C(O)C1=CC(I)=C(O)C=C1 CK2246 [1,1,0,0,0,0|1,0,0]=3 348 B11R1.21 O=C(O)C1=CNC(=O)C(O)=C1 AC2078 [1,1,0,0,0,0|1,0,1]=4 349 B11R1.192 CNCC1=CC(O)=C(O)C=C1 31716 [1,1,0,0,0,0|1,0,1]=4 350 B11R1.192 N#CCC1=CC(O)=C(O)C=C1 D82364 [1,1,0,0,0,0|1,0,1]=4 351 B11R1.192 OCCC1=CC(O)=C(O)C=C1 68063 [1,1,0,0,0,0|0,0,2]=4 352 B11R1.278 CC1=C(Br)C=CC(C=O)=C1F 97126 [1,1,0,0,0,0|1,0,0]=3 353 B11R1.278 CC1=C(C)C(O)=C(C=O)C=C1 D85771 [1,1,0,0,0,0|1,0,0]=3 354 B11R1.278 CC1=C(C=O)C=CC(F)=C1F 36621 [1,1,0,0,0,0|2,0,0]=4 355 B11R1.278 CC1=C(F)C=CC(C=O)=C1Cl CL8266 [1,1,0,0,0,0|1,0,0]=3 356 B11R1.278 CC1=C(O)C=CC(C#N)=C1C 72402 [1,1,0,0,0,0|1,0,1]=4 357 B11R1.278 CC1=CC=C(C=O)C(F)=C1Br 55479 [1,1,0,0,0,0|2,0,0]=4 358 B11R1.278 NC1=C(F)C(F)=CC=C1C=O W11424 [1,1,0,0,0,0|2,0,0]=4 359 B11R1.278 NC1=CC=C(C=O)C(Cl)=C1F 84212 [1,1,0,0,0,0|2,0,0]=4 360 B11R1.278 O=CC1=C(Cl)C(Cl)=C(Br)C=C1 W17436 [1,1,0,0,0,0|2,0,0]=4 361 B11R1.278 O=CC1=C(O)C(Cl)=C(Br)C=C1 N17017 [1,1,0,0,0,0|2,0,0]=4 362 B11R1.278 O=CC1=C(O)C(O)=C(Br)C=C1 C13101 [1,1,0,0,0,0|1,0,0]=3 363 B11R1.278 O=CC1=CC=C(Cl)C(Cl)=C1O P16831 [1,1,0,0,0,0|2,0,0]=4 364 B11R1.278 O=CC1=CC=C(Cl)C(O)=C1Cl CL9039 [1,1,0,0,0,0|1,0,0]=3 365 B11R1.278 O=CC1=CC=C(F)C(Br)=C1F W17702 [1,1,0,0,0,0|2,0,0]=4 366 B11R1.278 O=CC1=CC=C(F)C(F)=C1Br CL9577 [1,1,0,0,0,0|2,0,0]=4 367 B11R1.278 O=CC1=CC=C(F)C(F)=C1Cl 27132 [1,1,0,0,0,0|2,0,0]=4 368 B11R1.278 O=CC1=CC=C(F)C(O)=C1F 25244 [1,1,0,0,0,0|1,0,0]=3 369 B11R1.278 O=CC1=CC=C(I)C(O)=C1I W15672 [1,1,0,0,0,0|1,0,0]=3 370 B11R1.278 O=CC1=CC=C(O)C(F)=C1F CL8241 [1,1,0,0,0,0|1,0,0]=3 371 B11R1.279 CC1=C(C=O)C=CC(C=O)=C1 A12374 [1,1,0,0,0,0|0,0,1]=3 372 B11R1.279 CCC1=CC(O)=C(OC)C=C1 O11426 [1,1,0,0,0,0|1,0,1]=4 373 B11R1.279 COC1=C(Br)C=C(C=O)C=N1 F12246 [1,1,0,0,0,0|2,0,0]=4 374 B11R1.279 COC1=C(C)C=C(CO)C=C1 D87344 [1,1,0,0,0,0|0,0,2]=4 375 B11R1.279 COC1=C(F)C=C(C=O)C=N1 24822 [1,1,0,0,0,0|2,0,0]=4 376 B11R1.279 COC1=CC(O)=C(OC)C=C1 25077 [1,1,0,0,0,0|2,0,0]=4 377 B11R1.279 COC1=CC=C(C=O)N=C1Br W17199 [1,1,0,0,0,0|2,0,0]=4 378 B11R1.279 COC1=NC=C(C=O)C=C1C 72229 [1,1,0,0,0,0|1,0,0]=3 379 B11R1.279 N#CC1=C(Br)C=C(C=O)C=C1 20836 [1,1,0,0,0,0|2,0,0]=4 380 B11R1.279 N#CC1=C(Cl)C=C(C=O)C=C1 W10335 [1,1,0,0,0,0|2,0,0]=4 381 B13R1.49 CCC(=O)C1=CC(OC)=C(O)C=C1 35524 [0,2,0,0,0,0|0,0,0]=2 382 B13R1.49 CNC1=C(N)C=CC(C(=O)OC)=C1 O11927 [0,2,0,0,0,0|2,0,0]=4 383 B13R1.49 COC(=O)C1=CN=C(Br)C(OC)=C1 C72024 [0,2,0,0,0,0|2,0,0]=4 384 B13R1.49 COC(=O)C1=NC(OC)=C(O)C=C1 D82373 [0,2,0,0,0,0|1,0,0]=3 385 B13R1.50 COC1=C(Br)C=CC(S(=O)(=O)Cl)=C1 AT12650 [0,2,0,0,0,0|2,0,0]=4 386 B13R1.50 COC1=C(Br)C=CC(S(C)(=O)=O)=C1 91286 [0,2,0,0,0,0|2,0,0]=4 387 B13R1.50 COC1=C(N)C=CC(S(C)(=O)=O)=C1 O10816 [0,2,0,0,0,0|2,0,0]=4 388 B13R1.298 COC1=C(F)C(C)=CC([N+](=O)[O-])=C1 AC1605 [0,2,0,0,0,0|2,0,0]=4 389 B13R1.298 COC1=CC(C(=O)O)=CC(Br)=C1Cl D83974 [0,2,0,0,0,0|1,0,0]=3 390 B13R1.298 COC1=CC([N+](=O)[O-])=CC(Br)=C1N 24203 [0,2,0,0,0,0|2,0,0]=4 391 B13R1.354 CCCC1=C(F)C=CC(C(=O)O)=C1 36383 [0,2,0,0,0,0|2,0,0]=4 392 B13R1.354 CCOC1=C(Br)C=CC(C(C)=O)=C1 W16967 [0,2,0,0,0,0|1,0,0]=3 393 B13R1.354 CCOC1=C(F)C=CC([N+](=O)[O-])=C1 75528 [0,2,0,0,0,0|2,0,0]=4 394 B13R1.354 COCC1=C(Cl)C=CC([N+](=O)[O-])=C1 C71074 [0,2,0,0,0,0|2,0,0]=4 395 B13R1.651 COC1=C(Br)C=C(F)C(C(=O)O)=C1 A12120 [0,2,0,0,0,0|1,0,0]=3 396 B13R1.651 COC1=C(Br)C=C(N)C(C(=O)O)=C1 D95594 [0,2,0,0,0,0|1,0,0]=3 397 B13R1.651 COC1=C(Br)C=C(N)C([N+](=O)[O-])=C1 D95037 [0,2,0,0,0,0|2,0,0]=4 398 B13R1.651 COC1=C(Cl)C=C(N)C(C(=O)O)=C1 79723 [0,2,0,0,0,0|1,0,0]=3 399 B13R1.651 COC1=C(F)C=C(F)C([N+](=O)[O-])=C1 34498 [0,2,0,0,0,0|2,0,0]=4 400 B13R1.651 COC1=C(F)C=C(N)C(C(=O)O)=C1 P11860 [0,2,0,0,0,0|1,0,0]=3 401 B13R1.651 COC1=CC(C(=O)O)=C(Br)C=C1C 95530 [0,2,0,0,0,0|1,0,0]=3 402 B13R1.651 COC1=CC(C(=O)O)=C(Br)C=C1F 81851 [0,2,0,0,0,0|1,0,0]=3 403 B13R1.651 COC1=CC(C(=O)O)=C(N)C=C1C 85910 [0,2,0,0,0,0|1,0,0]=3 404 B13R1.651 COC1=CC(C(C)=O)=C(C)C=C1O S10054 [0,2,0,0,0,0|0,0,0]=2 405 B13R1.651 COC1=CC([N+](=O)[O-])=C(Br)C=C1F 76026 [0,2,0,0,0,0|2,0,0]=4 406 B13R1.651 COC1=CC([N+](=O)[O-])=C(C)C=C1N C10849 [0,2,0,0,0,0|2,0,0]=4 407 B13R1.3091 C#CC1=C(OC)C=C([N+](=O)[O-])C=C1 C71444 [0,2,0,0,0,0|2,0,0]=4 408 B13R1.3091 CCC1=C(CO)C=CC(C(C)=O)=C1 36751 [0,2,0,0,0,0|1,0,0]=3 409 B13R1.3091 CNC1=C(OC)C=C(C(=O)O)C=C1 F52493 [0,2,0,0,0,0|1,0,0]=3 410 B13R1.3091 COC1=C(C#N)C=C(C(=O)O)C=C1 P18991 [0,2,0,0,0,0|2,0,0]=4 411 B13R1.3091 COC1=C(C#N)C=CC(C(=O)O)=C1 AB11029 [0,2,0,0,0,0|1,0,0]=3 412 B13R1.3091 COC1=C(C=O)C=CC(C(=O)O)=C1 CL9726 [0,2,0,0,0,0|0,0,1]=3 413 B13R1.3091 COC1=C(CO)C=CC(C(=O)O)=C1 38305 [0,2,0,0,0,0|0,0,0]=2 414 B13R1.3091 COC1=C(OC)C=C(C(N)=O)C=C1 A10942 [0,2,0,0,0,0|0,0,0]=2 415 B13R1.3091 COC1=C(OC)C=C([C@H](C)N)C=C1 N10951 [0,2,0,0,0,0|1,0,1]=4 416 B13R1.3091 COC1=C(OC)C=C([C@H](C)N)C=C1 Y10474 [0,2,0,0,0,0|1,0,1]=4 417 B13R1.3091 COC1=C(OC)C=C([C@H](C)N)C=C1 Y10475 [0,2,0,0,0,0|1,0,1]=4 418 B13R1.3091 COC1=C(OC)C=C([C@H](C)O)C=C1 29987 [0,2,0,0,0,0|0,0,2]=4 419 B13R1.3091 COC1=C(OC)N=C(C(=O)O)C=C1 D94973 [0,2,0,0,0,0|1,0,0]=3 420 B13R1.3091 COC1=CC(C(=O)O)=CN=C1OC Y13488 [0,2,0,0,0,0|1,0,0]=3 421 B13R1.3091 COC1=CN=C(C(=O)O)C=C1OC S10503 [0,2,0,0,0,0|1,0,0]=3 422 B13R1.3230 COC1=C(Br)C=CC(C(=O)O)=C1F AB1248 [0,2,0,0,0,0|1,0,0]=3 423 B13R1.3230 COC1=C(C)C(C(=O)O)=NC=C1C P13165 [0,2,0,0,0,0|2,0,0]=4 424 B13R1.3230 COC1=C(Cl)C=CC(C(=O)O)=C1O 53225 [0,2,0,0,0,0|1,0,0]=3 425 B13R1.3230 COC1=C(N)C=CC(C(=O)O)=C1O 53223 [0,2,0,0,0,0|1,0,0]=3 426 B13R1.99 COC1=C(B(O)O)C=CC(C#N)=C1 36472 [0,2,0,0,0,0|1,0,1]=4 427 B13R1.99 COC1=C([N+](=O)[O-])C=CC(C=O)=C1 O11030 [0,2,0,0,0,0|0,0,1]=3 428 B13R1.386 COC1=C(OC)C=C(CC=O)C=C1 O10461 [0,2,0,0,0,0|0,0,0]=2 429 B13R1.434 COC1=CC(C=O)=CC(F)=C1OC 72336 [0,2,0,0,0,0|0,0,0]=2 430 B13R1.2200 COC1=CC(Br)=C(C#N)C=C1OC 76865 [0,2,0,0,0,0|1,0,1]=4 431 B13R1.2200 COC1=CC(Br)=C(OC)C=C1OC I11208 [0,2,0,0,0,0|2,0,0]=4 432 B13R1.2200 COC1=CC(C)=C(C=O)C=C1OC W16871 [0,2,0,0,0,0|0,0,0]=2 433 B13R1.2200 COC1=CC(Cl)=C(C=O)C=C1OC AC1567 [0,2,0,0,0,0|0,0,0]=2 434 B13R1.2200 COC1=CC(Cl)=C(OC)C=C1C=O O11202 [0,2,0,0,0,0|1,0,0]=3 435 B13R1.2200 COC1=CC(F)=C(OC)C=C1C=O 97136 [0,2,0,0,0,0|1,0,0]=3 436 B13R1.2200 COC1=CC(N)=C(C=O)C=C1OC F15879 [0,2,0,0,0,0|0,0,0]=2 437 B13R1.2200 COC1=CC(O)=C(C=O)C=C1OC 32264 [0,2,0,0,0,0|0,0,0]=2 438 B13R1.2200 COC1=CC(OC)=C(OC)C=C1N F19854 [0,2,0,0,0,0|2,0,0]=4 439 B13R1.2200 COC1=CC(OC)=C(OC)C=C1O W12391 [0,2,0,0,0,0|2,0,0]=4 440 B13R1.2422 COC1=CC=C(C=O)C(Br)=C1OC W13164 [0,2,0,0,0,0|0,0,0]=2 441 B13R1.2422 COC1=CC=C(C=O)C(F)=C1OC 98220 [0,2,0,0,0,0|0,0,0]=2 442 B13R1.2422 COC1=CC=C(CCl)C(Cl)=C1OC Y11009 [0,2,0,0,0,0|1,0,1]=4 443 B13R1.2422 COC1=CC=C(CO)C(Cl)=C1OC Y14775 [0,2,0,0,0,0|0,0,2]=4 444 B13R1.2430 COC1=C(C(C)C)C=C(C=O)C=C1 S11904 [0,2,0,0,0,0|1,0,0]=3 445 B13R1.97 CC(=O)OC1=C(O)C=CC(C=O)=C1 F53352 [0,2,0,0,0,0|0,0,0]=2 446 B13R1.97 O=CC1=CC(OC(F)F)=C(F)C=C1 AC1690 [0,2,0,0,0,0|1,0,0]=3 447 B13R1.97 O=CC1=CC(OC(F)F)=C(O)C=C1 W17194 [0,2,0,0,0,0|0,0,0]=2 448 B13R1.2431 COC(=O)C1=C(Br)C=CC(C=O)=C1 Y10853 [0,2,0,0,0,0|1,0,0]=3 449 B13R1.2431 COC(=O)C1=C(O)C=CC(C#N)=C1 63806 [0,2,0,0,0,0|1,0,1]=4 450 B13R1.2431 COC(=O)C1=C(O)C=CC(CN)=C1 46048 [0,2,0,0,0,0|1,0,1]=4 451 B13R1.52 COC1=C(C)C=CC(CC(=O)O)=C1 CL9702 [0,2,0,0,0,0|1,0,0]=3 452 B13R1.52 COC1=C(O)C=CC(OC(C)=O)=C1 AC6384 [0,2,0,0,0,0|0,0,0]=2 453 B13R1.575 COC1=C(O)C=CC(\C=C\C=O)=C1 42813 [0,2,0,0,0,0|0,0,0]=2 454 B13R1.433 C=CC1=CC(OC)=C(O)C(OC)=C1 A10896 [0,2,0,0,0,0|1,0,0]=3 455 B13R1.433 COC1=CC(C=O)=CC(OC)=C1F 97138 [0,2,0,0,0,0|1,0,0]=3 456 B13R1.433 COC1=CC(OC)=C(O)C(OC)=C1 C73882 [0,2,0,0,0,0|2,0,0]=4 457 B13R1.433 O=CC1=CC(C=O)=C(O)C(C=O)=C1 W17623 [0,2,0,0,0,0|2,0,0]=4 458 B13R1.2277 COC1=C(F)C=CC(C=O)=C1OC 97137 [0,2,0,0,0,0|1,0,0]=3 459 B11R1.41 COCC1=C(C=O)C=CC=C1 A11867 [0,0,1,1,0,0|1,0,1]=4 460 B11R1.44 COC(=O)C1=CC=C(C=O)O1 A11318 [0,0,1,1,0,0|1,0,0]=3 461 B11R2.36 ClC1=CC2=C(C=C1)OCC2 W17536 [1,0,0,1,0,0|2,0,0]=4 462 B11R2.36 FC1=CC2=C(C=C1)CCO2 Y13232 [1,0,0,1,0,0|2,0,0]=4 463 B11R2.36 FC1=CC2=C(C=C1)OCO2 AC4347 [1,0,0,1,0,0|1,0,0]=3 464 B11R2.36 NC1=CC2=C(C=C1)CCO2 F12399 [1,0,0,1,0,0|2,0,0]=4 465 B11R2.36 NC1=CC2=C(C=C1)OCO2 D97371 [1,0,0,1,0,0|1,0,0]=3 466 B11R2.36 OC1=CC2=C(C=C1)CCO2 27138 [1,0,0,1,0,0|1,0,1]=4 467 B11R2.36 OC1=CC2=C(C=C1)OCC2 24188 [1,0,0,1,0,0|1,0,1]=4 468 B11R2.190 C=CC1=CC2=C(C=C1)CC2 67824 [1,0,0,1,0,0|2,0,0]=4 469 B13R2.430 CC(=O)C1=CC2=C(C=C1)CCO2 I10960 [0,1,0,1,0,0|1,0,0]=3 470 B13R2.430 CC(=O)C1=CC2=C(C=C1)OC=C2 73876 [0,1,0,1,0,0|1,0,1]=4 471 B13R2.430 C[C@H](N)C1=CC2=C(C=C1)OCO2 92497 [0,1,0,1,0,0|1,0,1]=4 472 B13R2.430 O=C(O)C1=CC2=C(C=C1)CCO2 35217 [0,1,0,1,0,0|1,0,0]=3 473 B13R2.430 O=C(O)C1=CC2=C(C=C1)OC=N2 25581 [0,1,0,1,0,0|1,0,1]=4 474 B13R2.57 O=CC1=CC2=C(C=C1)OCCC2 Y10211 [0,1,0,1,0,0|1,0,0]=3 475 B13R2.57 O=CC1=NC2=C(C=C1)OCCO2 77896 [0,1,0,1,0,0|1,0,0]=3 476 B13R2.57 O=CC1=NC=C2OCCCC2=C1 72626 [0,1,0,1,0,0|2,0,0]=4 477 B13R2.669 CN1C=CC2=C1C=C(C=O)C=C2 30442 [0,1,0,1,0,0|2,0,0]=4 478 B13R2.2121 CC1=NC2=C(C=C(C=O)C=C2)O1 36370 [0,1,0,1,0,0|1,0,0]=3 479 B13R2.2121 CC1=NC2=C(C=CC(C=O)=C2)S1 Y10084 [0,1,0,1,0,0|1,1,0]=4 480 B13R2.2121 CN1C=C2C=C(C=O)C=CC2=N1 P12982 [0,1,0,1,0,0|2,0,0]=4 481 B13R2.2121 CN1C=C2C=CC(C=O)=CC2=N1 P12985 [0,1,0,1,0,0|2,0,0]=4 482 B13R2.2121 NC1=NC2=C(C=C(C=O)C=C2)O1 D80654 [0,1,0,1,0,0|1,0,1]=4 483 B13R2.599 BrCC1=C(I)C=C2OCOC2=C1 AC2010 [0,1,0,1,0,0|1,0,1]=4 484 B13R2.599 CC1=C(CCl)C=C2OCOC2=C1 C11483 [0,1,0,1,0,0|1,0,1]=4 485 B13R2.599 COC1=C(Br)C=C2C=CNC2=C1 76248 [0,1,0,1,0,0|2,0,0]=4 486 B13R2.599 COC1=C(Br)C=C2NC=CC2=C1 76348 [0,1,0,1,0,0|2,0,0]=4 487 B13R2.599 COC1=C(C)C=C2C=CNC2=C1 76375 [0,1,0,1,0,0|2,0,0]=4 488 B13R2.599 COC1=C(C)C=C2NC=CC2=C1 85912 [0,1,0,1,0,0|2,0,0]=4 489 B13R2.599 COC1=C(Cl)C=C2C=CNC2=C1 P10307 [0,1,0,1,0,0|2,0,0]=4 490 B13R2.599 COC1=C(Cl)C=C2NC=CC2=C1 32065 [0,1,0,1,0,0|2,0,0]=4 491 B13R2.599 COC1=C(Cl)C=C2NN=CC2=C1 P12871 [0,1,0,1,0,0|2,0,0]=4 492 B13R2.599 COC1=C(F)C=C2C=CNC2=C1 31986 [0,1,0,1,0,0|2,0,0]=4 493 B13R2.599 COC1=C(F)C=C2NC=CC2=C1 32017 [0,1,0,1,0,0|2,0,0]=4 494 B13R2.599 COC1=C(N)C=C2NN=CC2=C1 P20618 [0,1,0,1,0,0|2,0,0]=4 495 B13R2.599 COC1=C(O)C=C2NN=CC2=C1 P19275 [0,1,0,1,0,0|1,0,0]=3 496 B13R2.599 NCC1=C(Br)C=C2OCOC2=C1 D84125 [0,1,0,1,0,0|1,0,1]=4 497 B13R2.599 O=CC1=C(O)C=C2OCOC2=C1 Y11352 [0,1,0,1,0,0|0,0,0]=2 498 B13R2.654 O=CC1=CC(Br)=C2OCCC2=C1 A12910 [0,1,0,1,0,0|1,0,0]=3 499 B9R1.14 COC1=C(C=O)OC=C1 65862 [1,0,0,0,1,0|1,0,0]=3 500 B9R1.132 CC1=CNC(C=O)=C1C 39169 [1,0,0,0,1,0|2,0,0]=4 501 B9R1.132 CN1C(Br)=CC=C1C=O O11356 [1,0,0,0,1,0|2,0,0]=4 502 B11R1.265 COC1=C(Br)C=NC=C1C=O C72172 [0,0,0,0,1,1|1,0,0]=3 503 B11R1.265 COC1=C(C=O)C=CN=C1Br D94598 [0,0,0,0,1,1|1,0,0]=3 504 B11R1.265 COC1=NC=CC(O)=C1OC W10568 [0,0,0,0,1,1|2,0,0]=4