0 B11R1.86 CC(C)OC1=C(C=CC=N1)I I186504 [0,0,0,0,0,0|3,0,0]=3 1 B11R1.86 CC(C)OC1=CC=CC=C1Br B135885 [0,0,0,0,0,0|4,0,0]=4 2 B11R1.86 CC(C)OC1=CC=CC=C1O I119954 [0,0,0,0,0,0|4,0,0]=4 3 B11R1.86 CC1=C(N=CC=C1)NC(=O)C A186388 [0,0,0,0,0,0|3,0,1]=4 4 B11R1.86 CC1=NC=CN=C1CC(C)C I157645 [0,0,0,0,0,0|0,0,0]=0 5 B11R1.86 CN(C)CC1=C(C=CC=N1)O D168639 [0,0,0,0,0,0|3,0,0]=3 6 B11R1.86 CN(C)CC1=CC=CC=C1O D155339 [0,0,0,0,0,0|4,0,0]=4 7 B10R1.4 CC1=CC=CC=C1CCBr B587606 [1,0,0,0,0,0|3,0,0]=4 8 B10R1.4 CC1=CC=CC=C1CCO O159910 [1,0,0,0,0,0|3,0,0]=4 9 B10R1.4 CC1=CC=CC=C1CNC B301431 [1,0,0,0,0,0|3,0,0]=4 10 B10R1.4 CCCC1=CC=CC=C1C P160377 [1,0,0,0,0,0|2,0,0]=3 11 B10R1.4 CCCC1=CC=CC=C1N P160189 [1,0,0,0,0,0|3,0,0]=4 12 B10R1.4 CCCC1=CC=CC=C1O P160564 [1,0,0,0,0,0|3,0,0]=4 13 B10R1.4 CCNC1=CC=CC=C1C N158979 [1,0,0,0,0,0|3,0,0]=4 14 B10R1.4 CCOC1=C(C=CC=N1)Br B139026 [1,0,0,0,0,0|3,0,0]=4 15 B10R1.4 CCOC1=C(C=CC=N1)Cl C154075 [1,0,0,0,0,0|3,0,0]=4 16 B10R1.4 CCOC1=C(C=CC=N1)I E134848 [1,0,0,0,0,0|3,0,0]=4 17 B10R1.4 CCOC1=NC=CN=C1C E156373 [1,0,0,0,0,0|1,0,0]=2 18 B10R1.18 CC(=O)CC1=CN=CC=C1 A355123 [1,0,0,0,0,0|2,0,1]=4 19 B10R1.18 CC(C)CC1=CC=CC=C1 I108918 [1,0,0,0,0,0|2,0,0]=3 20 B10R1.18 CC(C)CC1=CC=CC=C1 I108919 [1,0,0,0,0,0|2,0,0]=3 21 B10R1.18 CC(C)CC1=CC=CC=C1 I108920 [1,0,0,0,0,0|2,0,0]=3 22 B10R1.18 CC(C)NC1=CC=CC=C1 I101922 [1,0,0,0,0,0|3,0,0]=4 23 B10R1.18 CC(C)NC1=CC=CC=C1 I101923 [1,0,0,0,0,0|3,0,0]=4 24 B10R1.18 CC(C)OC1=CC=CC=C1 I183364 [1,0,0,0,0,0|3,0,0]=4 25 B10R1.18 CC(C)OC1=CC=CC=N1 I191256 [1,0,0,0,0,0|2,0,0]=3 26 B10R1.18 CC(CC1=CC=CC=C1)Br B168545 [1,0,0,0,0,0|3,0,0]=4 27 B10R1.18 CC(CC1=CC=CC=C1)O P160708 [1,0,0,0,0,0|3,0,0]=4 28 B10R1.18 CN(C)CC1=CC=CC=C1 D110949 [1,0,0,0,0,0|3,0,0]=4 29 B10R1.18 CN(C)CC1=CC=CC=C1 D110950 [1,0,0,0,0,0|3,0,0]=4 30 B10R1.18 CN(C)CC1=CC=CC=[C-]1 D129151 [1,0,0,0,0,0|3,0,0]=4 31 B10R1.18 C[Si](C)CC1=CC=CC=C1 B305093 [1,0,0,0,0,0|2,1,0]=4 32 B12R1.75 CC(C)CC1=NC=CN=C1OC I137130 [0,1,0,0,0,0|0,0,0]=1 33 B12R2.24 CC1CCC2=CC=CC=C2N1 T162315 [0,0,0,1,0,0|3,0,0]=4 34 B10R1.61 CC(C)C1=CC=CC=C1Br B304453 [0,0,0,0,1,0|3,0,0]=4 35 B10R1.61 CC(C)C1=CC=CC=C1I I189064 [0,0,0,0,1,0|3,0,0]=4 36 B10R1.61 CC(C)C1=CC=CC=C1N I106819 [0,0,0,0,1,0|3,0,0]=4 37 B10R1.61 CC(C)C1=CC=CC=C1O I157538 [0,0,0,0,1,0|3,0,0]=4 38 B10R1.61 CC(C)C1=NC=NC=C1Br B188594 [0,0,0,0,1,0|3,0,0]=4 39 B10R1.61 CC1=C(N=CC=C1)C(=O)C E491191 [0,0,0,0,1,0|2,0,1]=4 40 B10R1.61 CC1=CC=CC=C1C(C)C O159927 [0,0,0,0,1,0|2,0,0]=3 41 B10R1.61 CC1=CC=CC=C1C(C)C O301082 [0,0,0,0,1,0|2,0,0]=3 42 B10R1.61 CC1=CC=CC=C1N(C)C D140174 [0,0,0,0,1,0|3,0,0]=4 43 B10R1.61 CC1=NC=CN=C1C(=O)C A113965 [0,0,0,0,1,0|1,0,1]=3 44 B12R1.125 CC1=CC=CC=C1OCC(C)O M158676 [0,0,0,0,0,1|3,0,0]=4 45 B9R1.8 C1=CC(=CN=C1)CCN A151786 [2,0,0,0,0,0|2,0,0]=4 46 B9R1.8 C1=CC(=CN=C1)CCN A169450 [2,0,0,0,0,0|2,0,0]=4 47 B9R1.8 C1=CC=NC(=C1)CCBr B186289 [2,0,0,0,0,0|2,0,0]=4 48 B9R1.8 C1=CC=NC(=C1)CCN A151790 [2,0,0,0,0,0|2,0,0]=4 49 B9R1.8 C1=CC=NC(=C1)CCO P160791 [2,0,0,0,0,0|2,0,0]=4 50 B9R1.8 C1=CN=C(C=N1)CCS M103122 [2,0,0,0,0,0|1,0,0]=3 51 B9R1.8 CCCC1=CC=CC=C1 P104621 [2,0,0,0,0,0|2,0,0]=4 52 B9R1.8 CCCC1=CC=CC=C1 P104624 [2,0,0,0,0,0|2,0,0]=4 53 B9R1.8 CCCC1=CC=CC=C1 P104625 [2,0,0,0,0,0|2,0,0]=4 54 B9R1.8 CCCC1=CC=CC=C1 P104626 [2,0,0,0,0,0|2,0,0]=4 55 B9R1.8 CCCC1=CC=CC=C1 P128158 [2,0,0,0,0,0|2,0,0]=4 56 B9R1.8 CCCC1=CC=CC=N1 P160637 [2,0,0,0,0,0|1,0,0]=3 57 B9R1.8 CCCC1=NC=CN=C1 P132679 [2,0,0,0,0,0|0,0,0]=2 58 B9R1.8 CCOC1=CC=CC=N1 E137467 [2,0,0,0,0,0|2,0,0]=4 59 B9R1.8 CCOC1=NC=CN=C1 E136587 [2,0,0,0,0,0|1,0,0]=3 60 B9R1.8 CNCC1=CC=CC=N1 M168526 [2,0,0,0,0,0|2,0,0]=4 61 B9R1.8 CNCC1=CN=CC=C1 M138441 [2,0,0,0,0,0|2,0,0]=4 62 B9R1.15 CC1=C(C=CC=N1)CO W136400 [2,0,0,0,0,0|2,0,0]=4 63 B9R1.15 CC1=C(N=CC=C1)CN A482619 [2,0,0,0,0,0|2,0,0]=4 64 B9R1.15 CC1=NC=CN=C1CO M174600 [2,0,0,0,0,0|1,0,0]=3 65 B9R1.15 CC1=NC=CN=C1OC M102551 [2,0,0,0,0,0|1,0,0]=3 66 B9R1.15 CC1=NC=CN=C1SC M102553 [2,0,0,0,0,0|1,0,0]=3 67 B9R1.15 CCC1=CC=CC=C1C E140581 [2,0,0,0,0,0|2,0,0]=4 68 B9R1.15 CCC1=NC=CN=C1C E105685 [2,0,0,0,0,0|0,0,0]=2 69 B9R1.15 COC1=NC=CN=C1Cl C193237 [2,0,0,0,0,0|2,0,0]=4 70 B9R1.15 COC1=NC=CN=C1N M589216 [2,0,0,0,0,0|2,0,0]=4 71 B11R1.605 CCCC1=C(N=CNC1=O)C M158440 [1,1,0,0,0,0|2,0,0]=4 72 B11R1.20 CC(C)CC1=CC=C(C=C1)Br B163036 [1,1,0,0,0,0|2,0,0]=4 73 B11R1.20 CC(C)OC1=NC=C(C=C1)Br B187286 [1,1,0,0,0,0|2,0,0]=4 74 B11R1.36 CC(C)C(=O)C1=CC=CC=N1 I185463 [1,1,0,0,0,0|1,0,1]=4 75 B11R1.40 COC(=O)CC1=NC=CN=C1 M193037 [1,1,0,0,0,0|1,0,1]=4 76 B11R1.157 CC(C)OC1=NC=CC(=C1)Br B491328 [1,1,0,0,0,0|2,0,0]=4 77 B11R1.509 CC(C)(C)OC1=CC=CC=N1 T195236 [1,1,0,0,0,0|2,0,0]=4 78 B11R1.509 CC(C)(CC1=CC=CC=C1)O M113177 [1,1,0,0,0,0|2,0,0]=4 79 B11R1.509 CC(C)(CC1=CC=CC=C1)O M115321 [1,1,0,0,0,0|2,0,0]=4 80 B11R1.53 CC(C)C1=NC=CN=C1OC I135731 [0,1,0,0,1,0|0,0,0]=2 81 B11R1.53 CCC1=NC=CN=C1C(=O)C A124067 [0,1,0,0,1,0|1,0,1]=4 82 B11R1.159 CC1=C(C(=NC=C1)C(C)C)N I492395 [0,1,0,0,1,0|2,0,0]=4 83 B11R1.166 CC1=C(C=CC(=C1)O)C(C)C I157507 [0,1,0,0,1,0|2,0,0]=4 84 B11R1.166 CC1=CN=C(C(=N1)C)C(=O)C A135006 [0,1,0,0,1,0|1,0,1]=4 85 B13R1.91 CC(CC1=CC=CC=C1OC)NC B301299 [0,2,0,0,0,0|2,0,0]=4 86 B13R1.91 CC(CC1=CC=CC=C1OC)NC M424748 [0,2,0,0,0,0|2,0,0]=4 87 B11R1.561 CC1=CC=CC(CC1=O)(C)C T161472 [0,0,1,1,0,0|2,0,0]=4 88 B11R2.20 C1CC2=C(C=CC=N2)OC1 D186135 [1,0,0,1,0,0|2,0,0]=4 89 B11R2.20 C1CCC2=C(C1)C=CC=N2 T108003 [1,0,0,1,0,0|1,0,0]=3 90 B11R2.20 C1CCC2=CC=CC=C2C1 T100976 [1,0,0,1,0,0|2,0,0]=4 91 B11R2.20 C1CCC2=CC=CC=C2C1 T100978 [1,0,0,1,0,0|2,0,0]=4 92 B11R2.20 C1CCC2=CC=CC=C2C1 T100979 [1,0,0,1,0,0|2,0,0]=4 93 B11R2.20 C1CCC2=CC=CC=C2C1 T100981 [1,0,0,1,0,0|2,0,0]=4 94 B11R2.20 C1CCC2=CC=CC=C2C1 T119673 [1,0,0,1,0,0|2,0,0]=4 95 B11R2.20 C1CCC2=NC=CN=C2C1 T161676 [1,0,0,1,0,0|0,0,0]=2 96 B11R2.20 C1CNCC2=C1C=CC=N2 T176221 [1,0,0,1,0,0|2,0,0]=4 97 B11R2.1 C1CC2=C(C1O)C=CC=N2 D586296 [0,0,0,1,1,0|2,0,0]=4 98 B11R2.1 CC1CCC2=CC=CC=C12 M304586 [0,0,0,1,1,0|2,0,0]=4 99 B11R2.1 CC1CCC2=NC=CN=C12 M111400 [0,0,0,1,1,0|0,0,0]=2 100 B13R2.3587 C1CC1COC2=C(C=CC=N2)I C186505 [0,0,0,1,0,1|2,0,0]=4 101 B9R1.33 CC1=C(SC=N1)CCCl C153490 [1,0,0,0,1,0|2,0,0]=4 102 B9R1.33 CC1=C(SC=N1)CCO M106766 [1,0,0,0,1,0|2,0,0]=4 103 B9R1.33 CC1=NC=CN1CCN M195358 [1,0,0,0,1,0|2,0,0]=4 104 B9R1.33 CCOC1=C(N=CO1)C E193596 [1,0,0,0,1,0|2,0,0]=4 105 B9R1.6 CC(=O)C1=NC=CN=C1 A100996 [1,0,0,0,1,0|1,0,1]=4 106 B9R1.6 CC(C)C1=CC=CC=C1 I101049 [1,0,0,0,1,0|2,0,0]=4 107 B9R1.6 CC(C)C1=CC=CC=C1 I101050 [1,0,0,0,1,0|2,0,0]=4 108 B9R1.6 CC(C)C1=CC=CC=C1 I101052 [1,0,0,0,1,0|2,0,0]=4 109 B9R1.6 CC(C)C1=CC=CC=N1 I177046 [1,0,0,0,1,0|1,0,0]=3 110 B9R1.6 CC(C1=CC=CC=N1)N P589080 [1,0,0,0,1,0|2,0,0]=4 111 B9R1.6 CC(C1=CC=CC=N1)O P191765 [1,0,0,0,1,0|2,0,0]=4 112 B9R1.6 CC(C1=CC=CC=N1)O R404547 [1,0,0,0,1,0|2,0,0]=4 113 B9R1.6 CC(C1=CC=CC=N1)O S161029 [1,0,0,0,1,0|2,0,0]=4 114 B9R1.6 CC(C1=CN=CC=C1)N P193948 [1,0,0,0,1,0|2,0,0]=4 115 B9R1.6 CN(C)C1=CC=CC=N1 D154133 [1,0,0,0,1,0|2,0,0]=4 116 B9R1.6 C[Si](C)C1=CC=CC=N1 D331179 [1,0,0,0,1,0|1,1,0]=4 117 B9R1.13 CC(C)CC1=NC=CS1 I157522 [1,0,0,0,1,0|1,0,0]=3