0 B10R1.59 CC(C1=C(C)SC(C)=C1)=O M10045050P [0,0,0,0,0,0|0,1,0]=1 1 B10R1.59 CC(C1=C(C)SC(N)=N1)=O M10242484P [0,0,0,0,0,0|2,1,0]=3 2 B10R1.59 O=C(C1=C(C)C=C(Br)S1)O M10235884P [0,0,0,0,0,0|4,0,0]=4 3 B10R1.59 O=C(C1=C(C)C=C(C)N1)O M10064053P [0,0,0,0,0,0|3,0,0]=3 4 B10R1.59 O=C(C1=C(C)NC(C)=C1)O M10294420P [0,0,0,0,0,0|2,0,0]=2 5 B10R1.59 O=C(C1=C(C)OC(C)=N1)O M10177876P [0,0,0,0,0,0|2,0,0]=2 6 B10R1.59 O=C(C1=C(C)SC(Br)=N1)O M10110995P [0,0,0,0,0,0|3,1,0]=4 7 B10R1.59 O=C(C1=C(C)SC(C)=C1)O M10193812P [0,0,0,0,0,0|1,1,0]=2 8 B10R1.59 O=C(C1=C(Cl)SC(Cl)=C1)O M10229830P [0,0,0,0,0,0|3,1,0]=4 9 B10R1.59 O=C(C1=CC(Br)=CN1C)O M11014124P [0,0,0,0,0,0|4,0,0]=4 10 B10R1.59 O=C(C1=NN(C)C=C1C)O M10561538P [0,0,0,0,0,0|4,0,0]=4 11 B9R1.22 O=CC1=C(C)OC(C)=N1 M10612234P [1,0,0,0,0,0|1,0,0]=2 12 B9R1.22 O=CC1=C(C)SC(C)=C1 M10193813P [1,0,0,0,0,0|0,1,0]=2 13 B9R1.22 OCC1=C(C)OC(C)=N1 M10612235P [1,0,0,0,0,0|1,0,2]=4 14 B9R1.35 CC(C1=CC(Br)=CS1)=O M10102448P [1,0,0,0,0,0|3,0,0]=4 15 B9R1.35 CC(C1=NC(C)=CO1)=O M10600566P [1,0,0,0,0,0|3,0,0]=4 16 B9R1.35 CC(C1=NC(C)=CS1)=O M10108448P [1,0,0,0,0,0|3,0,0]=4 17 B9R1.35 O=C(C1=CC(C)=CN1)O M10156935P [1,0,0,0,0,0|3,0,0]=4 18 B9R1.35 O=C(C1=CC(C)=NO1)O M10066844P [1,0,0,0,0,0|3,0,0]=4 19 B9R1.35 O=C(C1=CC=C(C)O1)O M10037928P [1,0,0,0,0,0|3,0,0]=4 20 B9R1.35 O=C(C1=CN(C)C=C1)O M10232028P [1,0,0,0,0,0|3,0,0]=4 21 B9R1.35 O=C(C1=CN=C(C)N1)O M10031064P [1,0,0,0,0,0|3,0,0]=4 22 B9R1.35 O=C(C1=COC(Cl)=N1)O M10943211P [1,0,0,0,0,0|3,0,0]=4 23 B9R1.41 CC(C1=C(Br)C=CS1)=O M10249884P [1,0,0,0,0,0|3,0,0]=4 24 B9R1.41 O=C(C1=C(Br)SC=C1)O M10184016P [1,0,0,0,0,0|2,1,0]=4 25 B9R1.41 O=C(C1=C(C)NC=C1)O M10232587P [1,0,0,0,0,0|2,0,0]=3 26 B9R1.41 O=C(C1=C(C)OC=N1)O M10652463P [1,0,0,0,0,0|2,0,0]=3 27 B9R1.41 O=C(C1=C(C)SC=N1)O M10710316P [1,0,0,0,0,0|2,1,0]=4 28 B9R1.41 O=C(C1=CON=C1C)O M10147590P [1,0,0,0,0,0|3,0,0]=4 29 B9R1.41 O=C(C1=CSN=C1C)O M10139322P [1,0,0,0,0,0|3,0,0]=4 30 B9R1.41 O=C1OC=CN1C(C)=O M10316975P [1,0,0,0,0,0|2,0,0]=3 31 B11R1.225 O=C(C1=C(C)N=C(Cl)N1)OC M10726916P [0,1,0,0,0,0|3,0,0]=4 32 B11R1.225 O=C(C1=C(C)N=C(N)S1)OC M10057960P [0,1,0,0,0,0|3,0,0]=4 33 B11R1.225 O=C(C1=C(C)SC(Br)=C1)OC M11124134P [0,1,0,0,0,0|1,1,0]=3 34 B11R1.225 O=C(C1=CC(Br)=CN1C)OC M10028901P [0,1,0,0,0,0|3,0,0]=4 35 B11R1.225 O=C(C1=CC(NN1C)=O)OC M10267537P [0,1,0,0,0,0|3,0,0]=4 36 B9R0.6 CC(C(C(OCC)=O)=O)=O M10035324P [0,0,1,0,0,0|2,0,1]=4 37 B9R0.48 O=C(OCC)\C=C\C(Cl)=O M10193577P [0,0,1,0,0,0|2,0,1]=4 38 B11R1.74 CC(C1=CC(Br)=CC(Br)=C1)=O M10130914P [0,0,0,0,0,1|3,0,0]=4 39 B11R1.74 CC(C1=CC(C)=CC(C)=C1)=O M10072302P [0,0,0,0,0,1|1,0,0]=2 40 B11R1.74 CC(C1=CC(Cl)=CC(Br)=C1)=O M10780945P [0,0,0,0,0,1|3,0,0]=4 41 B11R1.74 CC(C1=CC(Cl)=CC(Cl)=C1)=O M10130913P [0,0,0,0,0,1|3,0,0]=4 42 B11R1.74 CC1=CC(C)=CC(N(C)C)=C1 M10067230P [0,0,0,0,0,1|3,0,0]=4 43 B11R1.74 O=C(C=1N=C(C)NC(C1)=O)O M10223809P [0,0,0,0,0,1|3,0,0]=4 44 B11R1.74 O=C(O)C1=CC(C)=CC(Cl)=C1 M10291720P [0,0,0,0,0,1|3,0,0]=4 45 B11R1.74 O=C(O)C1=CC(C)=CC(N)=C1 M10042353P [0,0,0,0,0,1|3,0,0]=4 46 B11R1.74 O=C(O)C1=NC(Cl)=CC(C)=C1 M10858491P [0,0,0,0,0,1|3,0,0]=4 47 B11R1.74 O=[N+](C1=CC(C)=CC(C)=C1)[O-] M10002699P [0,0,0,0,0,1|3,0,0]=4 48 B11R1.74 O=[N+](C1=CC(C)=NC(C)=C1)[O-] M10067232P [0,0,0,0,0,1|3,0,0]=4 49 B11R1.166 CC(C1=CC=C(Br)C=C1F)=O M10903289P [0,0,0,0,0,1|3,0,0]=4 50 B11R1.166 CC(C1=CC=C(Br)C=C1O)=O M10208950P [0,0,0,0,0,1|3,0,0]=4 51 B11R1.166 CC(C1=CC=C(Cl)C=C1Br)=O M10021457P [0,0,0,0,0,1|3,0,0]=4 52 B11R1.166 CC(C1=CC=C(Cl)C=C1F)=O M10804741P [0,0,0,0,0,1|3,0,0]=4 53 B11R1.166 CC(C1=CC=C(Cl)C=C1O)=O M10097246P [0,0,0,0,0,1|3,0,0]=4 54 B11R1.166 CC(C1=CC=C(Cl)N=C1Cl)=O M10875967P [0,0,0,0,0,1|3,0,0]=4 55 B11R1.166 CC(C1=CC=C(N)C=C1Cl)=O M10447645P [0,0,0,0,0,1|3,0,0]=4 56 B11R1.166 CC(C1=CC=C(O)C=C1O)=O M10185982P [0,0,0,0,0,1|3,0,0]=4 57 B11R1.166 O=C(C1=CN=C(C)N=C1C)O M10455448P [0,0,0,0,0,1|2,0,0]=3 58 B11R1.166 O=C(C1=CN=C(N)N=C1C)O M10020363P [0,0,0,0,0,1|3,0,0]=4 59 B11R1.166 O=C(C1=NC=C(C)N=C1N)O M10096061P [0,0,0,0,0,1|3,0,0]=4 60 B11R1.166 O=C(O)C1=C(C)N=C(C)C=C1 M10081304P [0,0,0,0,0,1|2,0,0]=3 61 B11R1.166 O=C(O)C1=CC=C(Br)C=C1C M10431894P [0,0,0,0,0,1|3,0,0]=4 62 B11R1.166 O=C(O)C1=CC=C(O)C=C1C M10014604P [0,0,0,0,0,1|3,0,0]=4 63 B11R1.166 O=C(O)C1=CN=C(C)C=C1Cl M11097765P [0,0,0,0,0,1|3,0,0]=4 64 B11R1.166 O=C1NC(C(=CN1)C(C)=O)=O M10085040P [0,0,0,0,0,1|3,0,0]=4 65 B11R1.166 O=[N+](C1=CC=C(C)N=C1C)[O-] M10137297P [0,0,0,0,0,1|3,0,0]=4 66 B11R1.166 O=[N+](C1=CN=C(C)C=C1C)[O-] M10026291P [0,0,0,0,0,1|3,0,0]=4 67 B11R1.167 CC(C1=CC(Br)=CC=C1N)=O M10205079P [0,0,0,0,0,1|3,0,0]=4 68 B11R1.167 CC(C1=CC(Cl)=CC=C1Br)=O M10023635P [0,0,0,0,0,1|3,0,0]=4 69 B11R1.167 CC(C1=CC(Cl)=CC=C1N)=O M10034749P [0,0,0,0,0,1|3,0,0]=4 70 B11R1.167 CC(C1=CC(F)=CC=C1Br)=O M10025041P [0,0,0,0,0,1|3,0,0]=4 71 B11R1.167 CC(C1=CC(F)=CC=C1N)=O M10042636P [0,0,0,0,0,1|3,0,0]=4 72 B11R1.167 CC1=CC=[N+](C)C=C1C(N)=O M10676560P [0,0,0,0,0,1|3,0,0]=4 73 B11R1.167 O=C(C1=CC(Cl)=CN=C1C)O M10100378P [0,0,0,0,0,1|3,0,0]=4 74 B11R1.167 O=C(C1=NC(C)=CN=C1C)O M10043888P [0,0,0,0,0,1|3,0,0]=4 75 B11R1.167 O=C(O)C1=C(C)N=CC(Br)=C1 M10864383P [0,0,0,0,0,1|3,0,0]=4 76 B11R1.167 O=C(O)C1=C(Cl)N=CC(C)=C1 M10422190P [0,0,0,0,0,1|3,0,0]=4 77 B11R1.167 O=C(O)C1=CC(C)=CC=C1Cl M10090728P [0,0,0,0,0,1|3,0,0]=4 78 B11R1.167 O=C(O)C1=CC(C)=CC=C1I M10265765P [0,0,0,0,0,1|3,0,0]=4 79 B11R1.167 O=C(O)C1=CC(O)=CC=C1C M10014599P [0,0,0,0,0,1|3,0,0]=4 80 B8R0.1 O=C(OCC)\C=C\C=O M10049575P [1,0,1,0,0,0|1,0,1]=4 81 B8R0.9 O=C(O)\C=C\C(OC)=O M10047363P [1,0,1,0,0,0|2,0,0]=4 82 B8R1.1 CC1=NC(C=O)=CS1 M10168174P [2,0,0,0,0,0|1,1,0]=4 83 B8R1.1 O=CC1=COC(C)=N1 M10690619P [2,0,0,0,0,0|1,0,0]=3 84 B8R1.1 O=CC1=NOC(C)=C1 M10362936P [2,0,0,0,0,0|1,0,0]=3 85 B8R1.11 O=CC1=C(Br)SC=C1 M10037253P [2,0,0,0,0,0|1,1,0]=4 86 B8R1.11 O=CC1=C(C)NC=N1 M10429899P [2,0,0,0,0,0|2,0,0]=4 87 B8R1.11 O=CC1=C(C)SC=C1 M10499253P [2,0,0,0,0,0|0,1,0]=3 88 B8R1.11 O=CC1=C(Cl)SC=C1 M10130517P [2,0,0,0,0,0|1,1,0]=4 89 B8R1.18 SC1=C(C)OC(C)=C1 M10284510P [2,0,0,0,0,0|0,1,0]=3 90 B8R1.7 CC(C1=CNC=N1)=O M10353238P [2,0,0,0,0,0|2,0,0]=4 91 B8R1.7 O=C(C1=NOC=C1)O M10052260P [2,0,0,0,0,0|2,0,0]=4 92 B8R1.7 O=C(Cl)C1=CSC=C1 M10246124P [2,0,0,0,0,0|1,1,0]=4 93 B10R1.256 O=CC1=C(Cl)N(C)N=C1C M10196233P [1,1,0,0,0,0|2,0,0]=4 94 B10R1.14 CCC(C1=CC=C(C)O1)=O M10116566P [1,1,0,0,0,0|2,0,0]=4 95 B10R1.194 O=C(C1=CSC(C)=C1N)O M10419095P [1,1,0,0,0,0|1,1,0]=4 96 B10R1.149 O=C(C1=C(C)N=CS1)OC M10483938P [1,1,0,0,0,0|2,0,0]=4 97 B10R1.149 O=C(C1=C(C)OC=N1)OC M10245119P [1,1,0,0,0,0|1,0,0]=3 98 B10R1.192 CC1=CNC(C)=C1C(C)=O M10043201P [1,1,0,0,0,0|1,0,0]=3 99 B10R1.192 O=C(C1=C(C)NC=C1C)O M10147294P [1,1,0,0,0,0|2,0,0]=4 100 B12R1.11 O=C(O)C1=CC(C)=CC(OC)=C1 M10356461P [0,1,0,0,0,1|2,0,0]=4 101 B12R1.358 O=C(OC)C1=CC(C)=NC(N)=C1 M11095110P [0,1,0,0,0,1|2,0,0]=4 102 B12R1.232 CC(C1=CC(C)=C(C)C=C1O)=O M10230675P [0,1,0,0,0,1|2,0,0]=4 103 B12R1.1000 CC1=CC(O)=C(C(C)=O)C(O)=C1 M10033999P [0,1,0,0,0,1|2,0,0]=4 104 B12R1.1703 O=C(C1=NC=C(Br)C=C1C)OC M10835746P [0,1,0,0,0,1|2,0,0]=4 105 B12R1.1703 O=C(OC)C1=CC=C(Br)C=C1C M10638000P [0,1,0,0,0,1|2,0,0]=4 106 B12R1.1703 O=C(OC)C1=CC=C(C)C=C1N M10156243P [0,1,0,0,0,1|2,0,0]=4 107 B12R1.1703 O=C(OC)C1=CC=C(C)C=C1O M10065229P [0,1,0,0,0,1|2,0,0]=4 108 B12R1.1703 O=C(OC)C1=CC=C(N)C=C1C M10097347P [0,1,0,0,0,1|2,0,0]=4 109 B12R1.1703 O=C(OC)C1=CC=C(O)C=C1C M10295810P [0,1,0,0,0,1|2,0,0]=4 110 B12R1.1703 O=C(OC)C1=CN=C(C)C=C1Cl M11021525P [0,1,0,0,0,1|2,0,0]=4 111 B12R1.46 CC(C1=CC(Cl)=CC=C1OC)=O M10090730P [0,1,0,0,0,1|2,0,0]=4 112 B12R1.354 O=C(OC)C1=CC(Br)=CC=C1C M10476323P [0,1,0,0,0,1|2,0,0]=4 113 B12R1.354 O=C(OC)C1=CC(N)=CC=C1C M10156238P [0,1,0,0,0,1|2,0,0]=4 114 B12R1.854 CC(OC1=C(C)OC(C)C1=O)=O M10060628P [0,1,0,0,0,1|0,0,1]=3 115 B12R1.313 O=C(C1=C(Br)OC(C)=N1)OCC M11124885P [0,2,0,0,0,0|2,0,0]=4 116 B12R1.313 O=C(C1=C(C)C=C(C)N1)OCC M10041057P [0,2,0,0,0,0|2,0,0]=4 117 B12R1.313 O=C(C1=C(C)OC(C)=N1)OCC M10177877P [0,2,0,0,0,0|1,0,0]=3 118 B12R1.362 O=C(OC)C1=C(C)C(C)=C(C)O1 M12277946P [0,2,0,0,0,0|2,0,0]=4 119 B10R1.61 CC(C1=C(C)C=CN=C1)=O M10258434P [0,0,1,1,0,0|2,0,0]=4 120 B10R1.113 CC(C1=CC=CC(C)=C1)=O M10014836P [0,0,1,1,0,0|1,0,1]=4 121 B10R2.32 O=C1CCC2=C1C=CS2 M10078627P [1,0,0,1,0,0|0,1,0]=3 122 B10R2.32 O=C1CCC2=C1SC=C2 M10078628P [1,0,0,1,0,0|2,0,0]=4 123 B12R2.612 O=C1CCC2=C1C=CC(C)=C2 M10064636P [0,0,0,1,0,1|1,0,0]=3 124 B12R2.612 O=C1CCC2=C1C=CC(N)=C2 M10054800P [0,0,0,1,0,1|2,0,0]=4 125 B12R2.132 O=C1CCC2=C1C=C(Br)C=C2 M10131846P [0,0,0,1,0,1|2,0,0]=4 126 B12R2.132 O=C1CCC2=C1C=C(N)C=C2 M10436749P [0,0,0,1,0,1|2,0,0]=4 127 B10R1.8 CC1=CC(C)=CC(OC)=C1 M10022344P [1,0,0,0,0,1|2,0,0]=4 128 B10R1.8 O=C1C=C(OC)C=C(C)O1 M10018095P [1,0,0,0,0,1|2,0,0]=4 129 B10R1.8 O=CC1=CC(C)=CC(Br)=C1 M10817547P [1,0,0,0,0,1|2,0,0]=4 130 B10R1.25 CC1=CN=C(CC)C(C)=N1 M10127477P [1,0,0,0,0,1|1,0,1]=4 131 B10R1.25 O=CC1=CC=C(C)C=C1Br M10021424P [1,0,0,0,0,1|2,0,0]=4 132 B10R1.25 O=CC1=CC=C(C)C=C1O M10018781P [1,0,0,0,0,1|2,0,0]=4 133 B10R1.25 O=CC1=CC=C(O)C=C1C M10245904P [1,0,0,0,0,1|2,0,0]=4 134 B10R1.25 O=CC1=CN=C(C)N=C1N M10000823P [1,0,0,0,0,1|2,0,0]=4 135 B10R1.13 CC(C1=CC=C(C)N=C1)=O M10230450P [1,0,0,0,0,1|1,0,0]=3 136 B10R1.13 O=C(C1=CN=C(N)C=C1)C M10162833P [1,0,0,0,0,1|2,0,0]=4 137 B10R1.13 O=C(C1=NC=C(C)N=C1)O M10077271P [1,0,0,0,0,1|2,0,0]=4 138 B10R1.13 O=C(Cl)C1=CN=C(C)C=C1 M10260685P [1,0,0,0,0,1|2,0,0]=4 139 B12R1.101 O=C(O)CC1=CC(C)=CC(C)=C1 M10248386P [0,0,0,0,0,2|2,0,0]=4