0 B8R0.4 CCCCC#CCCO SBB009106 [0,0,0,0,0,0|0,0,4]=4 1 B8R0.4 CCCCCC#CCO SBB009105 [0,0,0,0,0,0|0,0,4]=4 2 B8R0.4 CCCCCCCCO SBB059902 [0,0,0,0,0,0|0,0,4]=4 3 B8R0.4 CCCCCNCCO SBB059826 [0,0,0,0,0,0|1,0,3]=4 4 B8R0.4 CCCCC\C=C\C=O SBB068337 [0,0,0,0,0,0|0,0,4]=4 5 B7R0.1 CCCC#CCCO SBB008799 [1,0,0,0,0,0|0,0,3]=4 6 B7R0.1 CCCCC#CCO SBB008796 [1,0,0,0,0,0|0,0,3]=4 7 B7R0.1 CCCCOCCO SBB059918 [1,0,0,0,0,0|1,0,2]=4 8 B7R0.1 CCCCSCCO SBB013616 [1,0,0,0,0,0|1,0,2]=4 9 B7R0.1 C\C=C\CCCCC SBB059885 [1,0,0,0,0,0|0,0,2]=3 10 B9R0.5 CCO\C=C\C(=O)OCC SBB086340 [0,1,0,0,0,0|3,0,0]=4 11 B9R1.8 BrCCC1=CC=CC=C1 SBB059945 [0,0,0,1,0,0|2,0,1]=4 12 B9R1.8 BrCCC1=NC=CC=C1 SBB014931 [0,0,0,1,0,0|2,0,1]=4 13 B9R1.8 CCCC1=CC=CC=C1 SBB061210 [0,0,0,1,0,0|1,0,1]=3 14 B9R1.8 CCNC1=CC=CC=C1 SBB058818 [0,0,0,1,0,0|2,0,1]=4 15 B9R1.8 CNCC1=CC=CC=C1 SBB073015 [0,0,0,1,0,0|2,0,1]=4 16 B9R1.8 CNCC1=CC=CN=C1 SBB052430 [0,0,0,1,0,0|3,0,0]=4 17 B9R1.8 CNCC1=NC=CC=C1 SBB052457 [0,0,0,1,0,0|2,0,1]=4 18 B9R1.8 COCC1=CC=CC=C1 SBB063549 [0,0,0,1,0,0|2,0,1]=4 19 B9R1.8 ClCCC1=NC=CC=C1 SBB014886 [0,0,0,1,0,0|2,0,1]=4 20 B9R1.8 NCCC1=CC=CC=C1 SBB058801 [0,0,0,1,0,0|2,0,1]=4 21 B9R1.8 NCCC1=CC=CN=C1 SBB028204 [0,0,0,1,0,0|3,0,0]=4 22 B9R1.8 NCCC1=CC=CN=C1 SBB052465 [0,0,0,1,0,0|3,0,0]=4 23 B9R1.8 NCCC1=CCCCC1 SBB058805 [0,0,0,1,0,0|1,0,2]=4 24 B9R1.8 NCCC1=NC=CC=C1 SBB028206 [0,0,0,1,0,0|2,0,1]=4 25 B9R1.8 OCCC1=CC=CC=C1 SBB040879 [0,0,0,1,0,0|2,0,1]=4 26 B9R1.12 CCNCC1=CC=CO1 SBB047492 [0,0,0,1,0,0|1,0,2]=4 27 B9R1.12 NCCCC1=CC=CO1 SBB047796 [0,0,0,1,0,0|1,0,2]=4 28 B9R1.14 CCC1=CC=NN1CC SBB025387 [0,0,0,1,0,0|3,0,0]=4 29 B9R1.14 CCN1C=CN=C1CO SBB027204 [0,0,0,1,0,0|2,0,0]=3 30 B9R1.14 CCN1N=CC=C1CCl SBB025984 [0,0,0,1,0,0|3,0,0]=4 31 B9R1.14 CCN1N=CC=C1CN SBB004265 [0,0,0,1,0,0|3,0,0]=4 32 B9R1.14 CCN1N=CC=C1CO SBB025126 [0,0,0,1,0,0|2,0,0]=3 33 B9R1.14 N1C=C(CC)C(CC)=C1 SBB059631 [0,0,0,1,0,0|2,0,1]=4 34 B9R1.15 CC1=C(CCl)C=CC=C1 SBB040606 [0,0,0,1,0,0|1,0,2]=4 35 B9R1.15 CC1=C(CN)C=CC=C1 SBB042694 [0,0,0,1,0,0|1,0,2]=4 36 B9R1.15 CC1=CC=CC=C1CO SBB065157 [0,0,0,1,0,0|0,0,2]=3 37 B9R1.15 CC1=CC=CC=C1CS SBB086035 [0,0,0,1,0,0|0,1,2]=4 38 B9R1.15 CCC1=C(N)C=CC=C1 SBB040452 [0,0,0,1,0,0|1,0,2]=4 39 B9R1.15 CCC1=CC=CC=C1C SBB061450 [0,0,0,1,0,0|1,0,2]=4 40 B9R1.15 COC1=C(O)C=CC=C1 SBB058681 [0,0,0,1,0,0|1,0,2]=4 41 B9R1.15 NC1=C(CO)C=CC=C1 SBB058759 [0,0,0,1,0,0|1,0,2]=4 42 B9R1.15 NC1=NC=CC=C1CO SBB054786 [0,0,0,1,0,0|2,0,1]=4 43 B9R1.15 OCC1=C(F)C=CC=C1 SBB064085 [0,0,0,1,0,0|1,0,2]=4 44 B9R1.15 OCC1=CC=CC=C1Br SBB063922 [0,0,0,1,0,0|1,0,2]=4 45 B9R1.15 OCC1=CC=CC=C1Cl SBB058557 [0,0,0,1,0,0|1,0,2]=4 46 B9R1.15 OCC1=CC=CC=C1O SBB065036 [0,0,0,1,0,0|1,0,2]=4 47 B9R1.15 OCC1=CC=CN=C1Cl SBB054785 [0,0,0,1,0,0|2,0,1]=4 48 B9R1.33 CN1C=CC=C1\C=N\O SBB085555 [0,0,0,1,0,0|2,0,1]=4 49 B9R1.33 CNCC1=CC=CN1C SBB010236 [0,0,0,1,0,0|3,0,0]=4 50 B6R0.6 C=CCCCCC SBB059882 [2,0,0,0,0,0|0,0,2]=4 51 B6R0.6 CCCCCCO SBB059899 [2,0,0,0,0,0|0,0,2]=4 52 B6R0.6 CCCOCCO SBB061379 [2,0,0,0,0,0|1,0,1]=4 53 B6R0.6 CCCSCCO SBB058605 [2,0,0,0,0,0|1,0,1]=4 54 B6R0.6 CCC\C=C\C=O SBB067097 [2,0,0,0,0,0|0,0,1]=3 55 B6R0.6 CC\C=C/CCO SBB007739 [2,0,0,0,0,0|0,0,1]=3 56 B8R0.1 CCOC(=O)\C=C\CBr SBB070755 [1,1,0,0,0,0|2,0,0]=4 57 B8R0.6 C\C=C\C=C\C(=O)NO SBB008191 [1,1,0,0,0,0|1,0,1]=4 58 B10R0.71 CCCCC\C=C\C=C\C=O SBB066368 [0,2,0,0,0,0|0,0,2]=4 59 B10R0.71 CCCC\C=C\CCCCO SBB008885 [0,2,0,0,0,0|0,0,2]=4 60 B8R1.2 CCC1=CC=CC=C1 SBB040891 [1,0,0,1,0,0|0,0,2]=4 61 B8R1.2 CCC1=CC=CC=N1 SBB060373 [1,0,0,1,0,0|1,0,1]=4 62 B8R1.2 CCC1=CN=CC=C1 SBB060374 [1,0,0,1,0,0|2,0,0]=4 63 B8R1.2 COC1C=CCCC1 SBB060461 [1,0,0,1,0,0|1,0,1]=4 64 B8R1.2 OCC1=CC=CC=C1 SBB058558 [1,0,0,1,0,0|0,0,2]=4 65 B8R1.2 OCC1=CC=CN=C1 SBB004344 [1,0,0,1,0,0|1,0,1]=4 66 B8R1.2 OCC1=CC=CN=N1 SBB054829 [1,0,0,1,0,0|2,0,0]=4 67 B8R1.2 OCC1=NC=CC=C1 SBB004348 [1,0,0,1,0,0|1,0,1]=4 68 B8R1.2 OCC1CC=CCC1 SBB054865 [1,0,0,1,0,0|0,0,2]=4 69 B8R1.5 CC1=C(C)C=CC=C1 SBB040816 [1,0,0,1,0,0|0,0,2]=4 70 B8R1.5 CC1=C(C)N=CC=C1 SBB060735 [1,0,0,1,0,0|1,0,1]=4 71 B8R1.5 CC1=CC=CC=C1O SBB060100 [1,0,0,1,0,0|0,0,2]=4 72 B8R1.8 CCCC1=CC=CS1 SBB073407 [1,0,0,1,0,0|0,1,0]=3 73 B8R1.8 CCCC1=NC=CS1 SBB055797 [1,0,0,1,0,0|1,1,0]=4 74 B8R1.8 CCCN1C=CC=N1 SBB024228 [1,0,0,1,0,0|2,0,0]=4 75 B8R1.8 CNCC1=CC=CO1 SBB079004 [1,0,0,1,0,0|1,0,0]=3 76 B8R1.8 NCCC1=CC=CO1 SBB013333 [1,0,0,1,0,0|1,0,0]=3 77 B8R1.8 NCCC1=CC=CS1 SBB013250 [1,0,0,1,0,0|1,1,0]=4 78 B8R1.8 NCCC1=CC=CS1 SBB013650 [1,0,0,1,0,0|1,1,0]=4 79 B8R1.8 OCCC1=CC=CS1 SBB062831 [1,0,0,1,0,0|1,1,0]=4 80 B8R1.11 CC1=C(CO)C=CO1 SBB054803 [1,0,0,1,0,0|1,0,1]=4 81 B8R1.11 CCN1N=CC=C1C SBB020345 [1,0,0,1,0,0|2,0,0]=4 82 B8R1.11 CN1C=CN=C1CO SBB054819 [1,0,0,1,0,0|2,0,0]=4 83 B8R1.11 CN1N=CC=C1CO SBB024002 [1,0,0,1,0,0|2,0,0]=4 84 B8R1.49 C1=CCCCCCC1 SBB059890 [1,0,0,1,0,0|0,0,2]=4 85 B10R1.10 CCOC1=CC=CC(O)=C1 SBB005788 [0,1,0,1,0,0|1,0,1]=4 86 B10R1.10 CNCC1=CC(O)=CC=C1 SBB046532 [0,1,0,1,0,0|1,0,1]=4 87 B10R1.18 CC(N)CC1=CC=CC=N1 SBB025629 [0,1,0,1,0,0|1,0,1]=4 88 B10R1.39 CC(C)N1N=CC=C1CO SBB073687 [0,1,0,1,0,0|2,0,0]=4 89 B10R1.66 CC(N)CCC1=CC=CO1 SBB007120 [0,1,0,1,0,0|0,0,2]=4 90 B10R1.11 CCOC(=O)C1=CC=CO1 SBB067087 [0,1,0,1,0,0|1,0,1]=4 91 B10R1.21 CNCCCC1=CC=CO1 SBB301605 [0,1,0,1,0,0|0,0,2]=4 92 B10R1.25 CC1=C(CO)C=CC(F)=C1 SBB086160 [0,1,0,1,0,0|0,0,2]=4 93 B10R1.96 CCCC1=CC=C(C=O)O1 SBB302490 [0,1,0,1,0,0|0,0,2]=4 94 B10R1.96 CCCC1=CC=C(C=O)S1 SBB010356 [0,1,0,1,0,0|0,0,2]=4 95 B10R1.96 CCCC1=NOC(CO)=C1 SBB026000 [0,1,0,1,0,0|2,0,0]=4 96 B10R1.96 CCCN1C=CC(CN)=N1 SBB022383 [0,1,0,1,0,0|2,0,0]=4 97 B10R1.96 CCCN1C=CC(CO)=N1 SBB073767 [0,1,0,1,0,0|1,0,0]=3 98 B10R1.137 CCOC(=O)C=C1CCC1 SBB054044 [0,1,0,1,0,0|2,0,0]=4 99 B10R1.245 CC1=CC=CC(C)=C1CO SBB079383 [0,1,0,1,0,0|0,0,2]=4 100 B10R1.257 CCN1N=CC(Br)=C1CO SBB073830 [0,1,0,1,0,0|2,0,0]=4 101 B10R1.257 CCN1N=CC(Cl)=C1CO SBB073831 [0,1,0,1,0,0|2,0,0]=4 102 B10R1.4 CCCC1=CC=CC=C1N SBB085906 [0,1,0,1,0,0|1,0,1]=4 103 B10R1.4 CCCN1C=CC=CC1=O SBB008029 [0,1,0,1,0,0|0,0,2]=4 104 B10R1.4 CCOC1=CC=CC=C1O SBB060424 [0,1,0,1,0,0|0,0,2]=4 105 B10R1.17 BrCCCC1=CN=CC=C1 SBB014930 [0,1,0,1,0,0|2,0,0]=4 106 B10R1.17 CCCNC1=CC=CC=C1 SBB059800 [0,1,0,1,0,0|1,0,1]=4 107 B10R1.17 CCCOC1=CC=CC=C1 SBB061098 [0,1,0,1,0,0|1,0,1]=4 108 B10R1.17 CCNCC1=CC=CC=C1 SBB058765 [0,1,0,1,0,0|1,0,1]=4 109 B10R1.17 CCOCC1=CC=CC=C1 SBB061196 [0,1,0,1,0,0|1,0,1]=4 110 B10R1.17 CCSCC1=CC=CC=C1 SBB061362 [0,1,0,1,0,0|1,0,1]=4 111 B10R1.17 CNCCC1=NC=CC=C1 SBB017551 [0,1,0,1,0,0|1,0,1]=4 112 B10R1.17 CNCCC1=NC=CC=C1 SBB040053 [0,1,0,1,0,0|1,0,1]=4 113 B10R1.17 ClCCCC1=CC=CC=C1 SBB061361 [0,1,0,1,0,0|1,0,1]=4 114 B10R1.17 NCCCC1=CC=CC=C1 SBB028248 [0,1,0,1,0,0|1,0,1]=4 115 B10R1.17 NCCCC1=CC=CC=N1 SBB012768 [0,1,0,1,0,0|1,0,1]=4 116 B10R1.17 OCCCC1=CC=CC=C1 SBB061127 [0,1,0,1,0,0|1,0,1]=4 117 B10R1.30 CC1=C(CO)C=C(F)C=C1 SBB086159 [0,1,0,1,0,0|0,0,2]=4 118 B10R1.32 CCN1N=C(C)C=C1CO SBB025140 [0,1,0,1,0,0|2,0,0]=4 119 B10R1.32 CCN1N=C(N)C=C1CO SBB073891 [0,1,0,1,0,0|2,0,0]=4 120 B10R1.5 CCCN1N=CC=C1CN SBB022382 [0,1,0,1,0,0|2,0,0]=4 121 B10R1.20 CNC1=NC=CC=C1CO SBB054793 [0,1,0,1,0,0|1,0,1]=4 122 B10R1.20 COC1=CC=CC=C1CO SBB041053 [0,1,0,1,0,0|0,0,2]=4 123 B10R1.20 OCC1=CC=CC=C1CO SBB064016 [0,1,0,1,0,0|0,0,2]=4 124 B10R1.1 CCCC1=CC=C(N)C=C1 SBB008337 [0,1,0,1,0,0|1,0,1]=4 125 B10R1.1 CCCC1=CC=C(O)C=C1 SBB055506 [0,1,0,1,0,0|1,0,1]=4 126 B10R1.2 CC1=C(F)C=CC=C1CO SBB064442 [0,1,0,1,0,0|0,0,2]=4 127 B10R1.2 CC1=C(N)C=CC=C1CO SBB064073 [0,1,0,1,0,0|0,0,2]=4 128 B10R1.2 CCC1=C(O)C(C)=CC=C1 SBB071423 [0,1,0,1,0,0|0,0,2]=4 129 B10R1.15 CCC(Br)C1=CC=CC=C1 SBB060201 [0,1,0,1,0,0|1,0,1]=4 130 B10R1.15 CCC(C)C1=CC=CC=C1 SBB060615 [0,1,0,1,0,0|1,0,1]=4 131 B10R1.15 CCC(N)C1=CC=CC=C1 SBB029878 [0,1,0,1,0,0|1,0,1]=4 132 B10R1.15 CCC(N)C1=CC=CC=C1 SBB080382 [0,1,0,1,0,0|1,0,1]=4 133 B10R1.15 CCC(O)C1=CC=CC=C1 SBB058750 [0,1,0,1,0,0|1,0,1]=4 134 B10R1.172 COC1=CC(CO)=CC=C1 SBB063359 [0,1,0,1,0,0|1,0,1]=4 135 B10R1.172 OCC1=CC=CC(CO)=C1 SBB068549 [0,1,0,1,0,0|1,0,1]=4 136 B10R1.172 OCC1=CC=CC(CO)=N1 SBB065235 [0,1,0,1,0,0|1,0,1]=4 137 B10R2.7 C1=CC2=C(C=C1)CCC2 SBB060083 [0,0,0,2,0,0|1,0,1]=4 138 B10R2.7 C1=CC=C2COCC2=C1 SBB068697 [0,0,0,2,0,0|0,0,2]=4 139 B10R2.7 C1=CC=C2OCCC2=C1 SBB056038 [0,0,0,2,0,0|0,0,2]=4 140 B10R2.7 C1=CN2CCNCC2=C1 SBB049792 [0,0,0,2,0,0|2,0,0]=4