0 B10R1.13 C=C(C)[C@H]1CC=C(C)CC1 SBB055254 [0,0,0,0,0,0|0,0,4]=4 1 B10R1.13 CC(=O)C1=CC=C(C)C=C1 SBB058845 [0,0,0,0,0,0|1,0,3]=4 2 B10R1.13 CC(=O)C1=CC=C(C)N=C1 SBB055610 [0,0,0,0,0,0|2,0,2]=4 3 B10R1.13 CC(C)C1=CC=C(N)C=C1 SBB040447 [0,0,0,0,0,0|1,0,2]=3 4 B10R1.13 CC(C)C1CCC(=O)CC1 SBB007754 [0,0,0,0,0,0|1,0,3]=4 5 B10R1.13 CC(C)N1CCC(=O)CC1 SBB005846 [0,0,0,0,0,0|2,0,2]=4 6 B10R1.13 CC(N)C1=CC=C(F)C=C1 SBB046789 [0,0,0,0,0,0|2,0,2]=4 7 B10R1.13 CC(N)C1=CC=C(O)C=C1 SBB008453 [0,0,0,0,0,0|2,0,2]=4 8 B10R1.13 CC(N)C1=CC=C(O)C=C1 SBB080372 [0,0,0,0,0,0|2,0,2]=4 9 B10R1.13 CC(O)C1=CC=C(Cl)C=C1 SBB063808 [0,0,0,0,0,0|2,0,2]=4 10 B10R1.13 CC(O)C1=CC=C(N)C=C1 SBB048111 [0,0,0,0,0,0|2,0,2]=4 11 B10R1.13 CC1=CC=C(C(C)C)C=C1 SBB060399 [0,0,0,0,0,0|0,0,2]=2 12 B10R1.13 CC1=CC=C(C(C)N)C=C1 SBB010017 [0,0,0,0,0,0|1,0,2]=3 13 B10R1.13 CC1=CC=C(C(C)O)C=C1 SBB061733 [0,0,0,0,0,0|1,0,2]=3 14 B10R1.13 CC1CCC(C(C)C)CC1 SBB008406 [0,0,0,0,0,0|0,0,4]=4 15 B10R1.13 CN(C)C1=CC=C(Br)C=C1 SBB058575 [0,0,0,0,0,0|2,0,2]=4 16 B10R1.13 CN(C)C1=CC=C(N)C=C1 SBB058715 [0,0,0,0,0,0|2,0,2]=4 17 B10R1.13 C[C@@H](O)C1=CC=C(F)C=C1 SBB064275 [0,0,0,0,0,0|2,0,2]=4 18 B10R1.13 C[C@H](O)C1=CC=C(Br)C=C1 SBB064274 [0,0,0,0,0,0|2,0,2]=4 19 B10R1.13 NC(C)C1=CC=C(Br)C=C1 SBB006746 [0,0,0,0,0,0|2,0,2]=4 20 B10R1.13 NC(C)C1=CC=C(Cl)C=C1 SBB004019 [0,0,0,0,0,0|2,0,2]=4 21 B10R1.13 [NH3+]C1=CC=C(N(C)C)C=C1 SBB059799 [0,0,0,0,0,0|2,0,2]=4 22 B9R1.1 CC1=CC=C(CCl)C=C1 SBB040648 [1,0,0,0,0,0|1,0,2]=4 23 B9R1.1 CC1=CC=C(CN)C=C1 SBB040468 [1,0,0,0,0,0|1,0,2]=4 24 B9R1.1 CC1=CC=C(CO)C=C1 SBB063354 [1,0,0,0,0,0|1,0,2]=4 25 B9R1.1 CC1=CC=C(CS)C=C1 SBB086032 [1,0,0,0,0,0|1,0,2]=4 26 B9R1.1 CC1=CN=C(CN)C=N1 SBB052489 [1,0,0,0,0,0|3,0,0]=4 27 B9R1.1 CCC1=CC=C(Br)C=C1 SBB054183 [1,0,0,0,0,0|1,0,2]=4 28 B9R1.1 CCC1=CC=C(Br)C=C1 SBB060979 [1,0,0,0,0,0|1,0,2]=4 29 B9R1.1 CCC1=CC=C(C)N=C1 SBB060375 [1,0,0,0,0,0|1,0,1]=3 30 B9R1.1 CCC1=CC=C(F)C=C1 SBB085565 [1,0,0,0,0,0|1,0,2]=4 31 B9R1.1 CCC1=CC=C(N)C=C1 SBB040445 [1,0,0,0,0,0|1,0,2]=4 32 B9R1.1 CCC1=CC=C(O)C=C1 SBB057513 [1,0,0,0,0,0|1,0,2]=4 33 B9R1.1 COC1=CC=C(C)C=C1 SBB060064 [1,0,0,0,0,0|1,0,2]=4 34 B9R1.6 CC(Br)C1=CC=CC=C1 SBB040667 [1,0,0,0,0,0|1,0,2]=4 35 B9R1.6 CC(C)C1=CC=CC=C1 SBB040817 [1,0,0,0,0,0|0,0,2]=3 36 B9R1.6 CC(Cl)C1=CC=CC=C1 SBB007671 [1,0,0,0,0,0|1,0,2]=4 37 B9R1.6 CC(N)C1=CC=CC=C1 SBB040514 [1,0,0,0,0,0|1,0,2]=4 38 B9R1.6 CC(N)C1=CN=CC=C1 SBB027288 [1,0,0,0,0,0|2,0,1]=4 39 B9R1.6 CC(N)C1=NC=CC=C1 SBB018707 [1,0,0,0,0,0|2,0,1]=4 40 B9R1.6 CC(O)C1=CC=CC=C1 SBB058702 [1,0,0,0,0,0|1,0,2]=4 41 B9R1.6 CN(C)C1=CC=CC=C1 SBB040814 [1,0,0,0,0,0|1,0,2]=4 42 B9R1.6 C[C@H](N)C1=CC=CC=C1 SBB051709 [1,0,0,0,0,0|1,0,2]=4 43 B11R1.3 CC(C)C1=CC=C(C#N)C=C1 SBB086428 [0,1,0,0,0,0|0,0,3]=4 44 B11R1.3 CC(C)C1=CC=C(C=O)C=C1 SBB040237 [0,1,0,0,0,0|0,0,3]=4 45 B11R1.3 CC(C)C1=CC=C(CCl)C=C1 SBB042664 [0,1,0,0,0,0|0,0,2]=3 46 B11R1.3 CC(C)C1=CC=C(CN)C=C1 SBB017646 [0,1,0,0,0,0|0,0,2]=3 47 B11R1.3 CC(C)C1=CC=C(CO)C=C1 SBB065188 [0,1,0,0,0,0|0,0,2]=3 48 B11R1.3 CC(C)C1=CC=C(NN)C=C1 SBB063839 [0,1,0,0,0,0|1,0,2]=4 49 B11R1.3 CCC1=CC=C(C(C)N)C=C1 SBB016483 [0,1,0,0,0,0|1,0,2]=4 50 B11R1.3 CN(C)C1=CC=C(CO)C=C1 SBB059054 [0,1,0,0,0,0|1,0,2]=4 51 B11R1.3 COC1=CC=C(C(C)N)C=C1 SBB007015 [0,1,0,0,0,0|1,0,2]=4 52 B11R1.19 CC(C)(C)C1=CC=C(Br)C=C1 SBB054162 [0,1,0,0,0,0|1,0,2]=4 53 B11R1.19 CC(C)(C)C1=CC=C(N)C=C1 SBB007738 [0,1,0,0,0,0|1,0,2]=4 54 B11R1.19 CC(C)(C)C1=CC=C(O)C=C1 SBB060742 [0,1,0,0,0,0|1,0,2]=4 55 B11R1.19 CC(C)(N)C1=CC=C(Cl)C=C1 SBB052375 [0,1,0,0,0,0|1,0,2]=4 56 B11R1.19 CC(C)(N)C1=CC=C(F)C=C1 SBB052370 [0,1,0,0,0,0|1,0,2]=4 57 B11R1.19 CC(C)(O)C1=CC=C(F)C=C1 SBB087016 [0,1,0,0,0,0|1,0,2]=4 58 B11R1.19 CC1=CC=C(C(C)(C)N)C=C1 SBB052376 [0,1,0,0,0,0|0,0,2]=3 59 B11R1.19 CC1=CC=C(C(C)(C)O)C=C1 SBB063535 [0,1,0,0,0,0|0,0,2]=3 60 B11R1.19 CC1=CCC(C(C)(C)O)CC1 SBB061191 [0,1,0,0,0,0|0,0,2]=3 61 B11R1.21 CC(C)C1=CC(N)=C(O)C=C1 SBB013738 [0,1,0,0,0,0|1,0,2]=4 62 B11R1.21 CC1=C(C)C=C(C(C)N)C=C1 SBB009345 [0,1,0,0,0,0|1,0,2]=4 63 B11R1.21 CC1=C(O)C=C(C(C)C)C=C1 SBB060790 [0,1,0,0,0,0|0,0,2]=3 64 B11R1.22 CCC(N)C1=CC=C(C)C=C1 SBB017924 [0,1,0,0,0,0|1,0,2]=4 65 B11R1.166 CC1=C(C(C)C)C=CC(N)=C1 SBB059023 [0,1,0,0,0,0|1,0,2]=4 66 B11R1.166 CC1=C(C(C)C)C=CC(N)=C1 SBB073013 [0,1,0,0,0,0|1,0,2]=4 67 B11R1.166 CC1=CC(C)=C(C(C)N)C=C1 SBB020377 [0,1,0,0,0,0|1,0,2]=4 68 B11R1.166 CC1=CC(O)=C(C(C)C)C=C1 SBB060429 [0,1,0,0,0,0|0,0,2]=3 69 B11R1.220 CC1=CCC(O)(C(C)C)CC1 SBB071495 [0,1,0,0,0,0|0,0,2]=3 70 B9R0.7 CC(C)C(=O)\C=C\N(C)C SBB026106 [0,0,1,0,0,0|2,0,1]=4 71 B11R2.39 CC1=CCC2C(C1)C2(C)C SBB060476 [0,0,0,1,0,0|0,0,2]=3 72 B11R2.533 CC1=CCC2CC1C2(C)C SBB060477 [0,0,0,1,0,0|0,0,2]=3 73 B9R1.35 CC(=O)C1=CC(C)=CS1 SBB066532 [0,0,0,0,1,0|2,0,1]=4 74 B9R1.35 CC(C)C1=CC(N)=NN1 SBB051943 [0,0,0,0,1,0|3,0,0]=4 75 B9R1.35 CC(C)C1=CSC(N)=N1 SBB044873 [0,0,0,0,1,0|3,0,0]=4 76 B9R1.35 CC(C)N1C=C(Br)C=N1 SBB073443 [0,0,0,0,1,0|3,0,0]=4 77 B9R1.35 CC(C)N1C=C(Cl)C=N1 SBB073389 [0,0,0,0,1,0|3,0,0]=4 78 B9R1.35 CC(C)N1C=C(I)C=N1 SBB073996 [0,0,0,0,1,0|3,0,0]=4 79 B9R1.35 CC(C)N1C=C(N)C=N1 SBB026436 [0,0,0,0,1,0|3,0,0]=4 80 B9R1.35 CC(N)C1=CN(C)N=C1 SBB026475 [0,0,0,0,1,0|3,0,0]=4 81 B9R1.35 CC1=CC=C(C(C)N)O1 SBB010239 [0,0,0,0,1,0|2,0,1]=4 82 B9R1.35 CC1=NN(C(C)C)C=C1 SBB024815 [0,0,0,0,1,0|2,0,1]=4 83 B11R1.20 CC(C)OC1=CC=C(Br)C=C1 SBB047818 [0,0,0,0,0,1|1,0,2]=4 84 B11R1.20 CC(C)OC1=CC=C(N)C=C1 SBB010330 [0,0,0,0,0,1|1,0,2]=4 85 B8R0.28 CC(C)=CCCC(C)O SBB008067 [1,0,1,0,0,0|1,0,1]=4 86 B8R1.2 CCC1=CC=CC=C1 SBB040891 [2,0,0,0,0,0|0,0,2]=4 87 B8R1.2 CCC1=CC=CC=N1 SBB060373 [2,0,0,0,0,0|1,0,1]=4 88 B8R1.2 CCC1=CN=CC=C1 SBB060374 [2,0,0,0,0,0|1,0,1]=4 89 B8R1.3 CC1=CC=C(C)N=C1 SBB060370 [2,0,0,0,0,0|1,0,1]=4 90 B8R1.3 CC1=CN=C(C)C=N1 SBB058647 [2,0,0,0,0,0|2,0,0]=4 91 B10R0.3 CC(C)=CCC\C(C)=C\CO SBB007719 [0,1,1,0,0,0|0,0,2]=4 92 B10R0.44 CC\C(C)=C\C(C)CC(C)C SBB060470 [0,1,1,0,0,0|0,0,2]=4 93 B10R0.93 CC(C)C(=O)CC(=O)C(C)C SBB056494 [0,1,1,0,0,0|1,0,1]=4 94 B10R1.1 CCOC1=CC=C(C)C=C1 SBB060988 [1,1,0,0,0,0|0,0,2]=4 95 B10R1.1 CNCC1=CC=C(C)C=C1 SBB079252 [1,1,0,0,0,0|0,0,2]=4 96 B10R1.3 CCC1=CC=C(CC)C=C1 SBB061169 [1,1,0,0,0,0|0,0,2]=4 97 B10R1.3 CCC1=CC=C(CN)C=C1 SBB017636 [1,1,0,0,0,0|0,0,2]=4 98 B10R1.3 CCC1=CC=C(OC)C=C1 SBB060457 [1,1,0,0,0,0|0,0,2]=4 99 B10R1.25 CCC1=C(C)C=C(C)C=C1 SBB061315 [1,1,0,0,0,0|0,0,2]=4 100 B10R1.25 CCC1=C(N)N=C(C)C=C1 SBB028253 [1,1,0,0,0,0|1,0,1]=4 101 B10R1.176 CCC1=CC(C)=C(C)C=C1 SBB061288 [1,1,0,0,0,0|0,0,2]=4 102 B10R1.15 CC(CN)C1=CC=CC=C1 SBB028247 [1,1,0,0,0,0|0,0,2]=4 103 B10R1.15 CC(CO)C1=CC=CC=C1 SBB007853 [1,1,0,0,0,0|0,0,2]=4 104 B10R1.15 CCC(C)C1=CC=CC=C1 SBB060615 [1,1,0,0,0,0|0,0,2]=4 105 B10R1.15 C[C@H](CN)C1=CC=CC=C1 SBB052360 [1,1,0,0,0,0|0,0,2]=4 106 B10R1.28 CC(C)(C)C1=CC=CC=C1 SBB040882 [1,1,0,0,0,0|0,0,2]=4 107 B10R1.28 CC(C)(C)C1=CC=CC=N1 SBB085909 [1,1,0,0,0,0|1,0,1]=4 108 B10R1.28 CC(C)(N)C1=CC=CC=C1 SBB028249 [1,1,0,0,0,0|0,0,2]=4 109 B10R1.61 CC(C)C1=C(Br)C=CC=C1 SBB092412 [1,1,0,0,0,0|0,0,2]=4 110 B10R1.61 CC(C)C1=C(N)C=CC=C1 SBB040455 [1,1,0,0,0,0|0,0,2]=4 111 B10R1.113 CC1=CC=CC(C(C)C)=C1 SBB061535 [1,1,0,0,0,0|0,0,2]=4 112 B10R1.14 CC1=CN(C(C)CN)N=C1 SBB025924 [0,1,0,0,1,0|2,0,0]=4 113 B10R1.31 CC(C)C1=CC(CCl)=NO1 SBB025954 [0,1,0,0,1,0|2,0,0]=4 114 B10R1.31 CC(C)C1=CC(CN)=NO1 SBB026766 [0,1,0,0,1,0|2,0,0]=4 115 B10R1.31 CC(C)C1=CC(CO)=NO1 SBB026031 [0,1,0,0,1,0|2,0,0]=4 116 B10R1.31 CC(C)C1=NC(CCl)=CS1 SBB109802 [0,1,0,0,1,0|2,0,0]=4 117 B10R1.31 CC(C)C1=NNC(CO)=C1 SBB073663 [0,1,0,0,1,0|2,0,0]=4 118 B10R1.31 CC(C)C1=NOC(CCl)=C1 SBB025142 [0,1,0,0,1,0|2,0,0]=4 119 B10R1.31 CC(C)C1=NOC(CN)=C1 SBB010280 [0,1,0,0,1,0|2,0,0]=4 120 B10R1.31 CC(C)C1=NOC(CO)=C1 SBB026479 [0,1,0,0,1,0|2,0,0]=4 121 B10R1.55 CC1=NC(C(C)(C)C)=CS1 SBB087087 [0,1,0,0,1,0|2,0,0]=4 122 B10R1.58 CC1=CN(C(C)C)N=C1N SBB027024 [0,1,0,0,1,0|2,0,0]=4 123 B10R1.194 CC1=C(N)N(C(C)C)N=C1 SBB073544 [0,1,0,0,1,0|2,0,0]=4 124 B12R1.4 CC(C)OC1=CC=C(CN)C=C1 SBB010165 [0,1,0,0,0,1|0,0,2]=4 125 B12R1.4 CC(C)OC1=CC=C(CN)C=C1 SBB080381 [0,1,0,0,0,1|0,0,2]=4 126 B12R1.49 CC1=CC=C(OC(C)CN)C=C1 SBB027665 [0,1,0,0,0,1|0,0,2]=4 127 B12R1.5 CNC(C)C1=CC=C(OC)C=C1 SBB085415 [0,2,0,0,0,0|0,0,2]=4 128 B12R1.6 CC(C)(C)C1=CC=C(CBr)C=C1 SBB061725 [0,2,0,0,0,0|0,0,2]=4 129 B12R1.6 CC(C)(C)C1=CC=C(CCl)C=C1 SBB040654 [0,2,0,0,0,0|0,0,2]=4 130 B12R1.6 CC(C)(C)C1=CC=C(CN)C=C1 SBB017954 [0,2,0,0,0,0|0,0,2]=4 131 B12R1.6 COC1=CC=C(C(C)(C)C)C=C1 SBB061019 [0,2,0,0,0,0|0,0,2]=4 132 B12R1.6 COC1=CC=C(C(C)(C)O)C=C1 SBB054762 [0,2,0,0,0,0|0,0,2]=4 133 B12R1.256 CC(=O)C1=CC=C(C(C)C)C=C1 SBB063211 [0,2,0,0,0,0|0,0,2]=4 134 B12R1.256 CC(C)C1=CC=C(C(C)C)C=C1 SBB061170 [0,2,0,0,0,0|0,0,2]=4 135 B12R1.256 CC(C)C1=CC=C(C(C)N)C=C1 SBB017955 [0,2,0,0,0,0|0,0,2]=4 136 B12R1.9 CC1=CC=C(C(C)(C)CN)C=C1 SBB302782 [0,2,0,0,0,0|0,0,2]=4 137 B12R1.9 CCC(C)(C)C1=CC=C(C)C=C1 SBB061242 [0,2,0,0,0,0|0,0,2]=4 138 B12R1.23 CC1=C(C)C=C(C(C)(C)C)C=C1 SBB008088 [0,2,0,0,0,0|0,0,2]=4 139 B12R1.23 CC1=CC=C(C(C)(C)C)C=C1Br SBB097099 [0,2,0,0,0,0|0,0,2]=4 140 B12R1.126 CC1=CC(O)=C(C(C)(C)C)C=C1 SBB007878 [0,2,0,0,0,0|0,0,2]=4 141 B12R1.232 CC1=C(Cl)C=C(C(C)C)C(O)=C1 SBB061280 [0,2,0,0,0,0|0,0,2]=4 142 B12R1.232 CC1=CC(=O)C(C(C)C)=CC1=O SBB008296 [0,2,0,0,0,0|0,0,2]=4 143 B12R1.232 CC1=CC(O)=C(C(C)C)C=C1N SBB001596 [0,2,0,0,0,0|0,0,2]=4 144 B12R1.57 CC1=CC=C(C(C)C)C(C=O)=C1 SBB060459 [0,2,0,0,0,0|0,0,2]=4 145 B8R1.1 CC1=CC(CO)=CS1 SBB017457 [1,0,0,0,1,0|2,0,0]=4 146 B8R1.1 CCC1=CC(Br)=CS1 SBB073295 [1,0,0,0,1,0|2,0,0]=4 147 B8R1.1 N1C=C(C)N=C1CC SBB004334 [1,0,0,0,1,0|2,0,0]=4 148 B8R1.7 CC(C)C1=NNC=C1 SBB026130 [1,0,0,0,1,0|2,0,0]=4 149 B8R1.7 CC(C)N1C=CC=N1 SBB025134 [1,0,0,0,1,0|2,0,0]=4 150 B8R1.7 CC(C)N1C=CN=C1 SBB046689 [1,0,0,0,1,0|2,0,0]=4 151 B8R1.7 CC(N)C1=CC=CO1 SBB017903 [1,0,0,0,1,0|2,0,0]=4 152 B8R1.7 CC(N)C1=CC=CS1 SBB028228 [1,0,0,0,1,0|2,0,0]=4 153 B8R1.7 CN(C)C1=CC=CS1 SBB059107 [1,0,0,0,1,0|2,0,0]=4 154 B10R1.18 CC(C)NC1=CC=CC=C1 SBB007921 [1,0,0,0,0,1|0,0,2]=4