0 B9R1.35 CC(=O)C1=CC=C(Br)S1 27378 [0,0,0,0,0,0|3,1,0]=4 1 B9R1.35 CC1=CC(C(=O)O)=NO1 25497 [0,0,0,0,0,0|2,1,0]=3 2 B9R1.35 CC1=NC(C(=O)O)=CS1 17250 [0,0,0,0,0,0|2,0,0]=2 3 B9R1.35 CC1=NNC(C(=O)O)=C1 24692 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.35 CN1C=CC(C(=O)O)=N1 17051 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.35 NC1=NC(C(=O)O)=CS1 17055 [0,0,0,0,0,0|2,0,0]=2 6 B9R1.35 NC1=NC(C(=O)O)CS1 02557 [0,0,0,0,0,0|2,0,2]=4 7 B9R1.35 NC1=NNC(C(=O)O)=N1 29975 [0,0,0,0,0,0|4,0,0]=4 8 B9R1.35 O=C(O)C1=CC=C(Br)S1 27864 [0,0,0,0,0,0|2,1,0]=3 9 B9R1.35 O=C(O)C1=CC=C(Cl)S1 27602 [0,0,0,0,0,0|2,0,0]=2 10 B9R1.35 O=C(O)C1=CN=C(Br)S1 24728 [0,0,0,0,0,0|2,1,0]=3 11 B9R1.35 O=C(O)C1=CSC(Br)=C1 30711 [0,0,0,0,0,0|0,1,0]=1 12 B9R1.35 O=C(O)C1=CSC(Br)=N1 24727 [0,0,0,0,0,0|1,1,0]=2 13 B9R1.35 O=C1C=C(C(=O)O)CC1 24056 [0,0,0,0,0,0|2,0,1]=3 14 B9R1.35 O=C1NC=C(C(=O)O)N1 17662 [0,0,0,0,0,0|3,0,0]=3 15 B9R1.35 O=C1N[C@H](C(=O)O)CS1 06280 [0,0,0,0,0,0|2,0,2]=4 16 B8R1.1 CC1=NC(C=O)=CO1 18743 [1,0,0,0,0,0|2,1,0]=4 17 B8R1.1 CC1=NC=C(C=O)S1 26308 [1,0,0,0,0,0|3,0,0]=4 18 B8R1.1 CN1C=C(C=O)C=N1 16984 [1,0,0,0,0,0|3,0,0]=4 19 B8R1.1 O=CC1=CC(I)=CN1 26177 [1,0,0,0,0,0|2,1,0]=4 20 B8R1.1 O=CC1=CC=C(Br)S1 17121 [1,0,0,0,0,0|2,1,0]=4 21 B8R1.1 O=CC1=CN=C(Cl)S1 26141 [1,0,0,0,0,0|2,0,0]=3 22 B8R1.1 O=CC1=CSC(Br)=N1 24017 [1,0,0,0,0,0|1,1,0]=3 23 B8R1.1 O=CC1=CSC(Cl)=N1 26291 [1,0,0,0,0,0|1,0,0]=2 24 B8R1.1 OCC1=CSC(Br)=N1 24018 [1,0,0,0,0,0|1,1,1]=4 25 B8R1.7 CC(=O)C1=CC=CO1 29786 [1,0,0,0,0,0|3,0,0]=4 26 B8R1.7 CC(=O)C1=CSC=C1 26949 [1,0,0,0,0,0|1,0,0]=2 27 B8R1.7 CC(=O)N1C=CN=C1 02273 [1,0,0,0,0,0|3,0,0]=4 28 B8R1.7 NC(=O)C1=CN=CO1 20849 [1,0,0,0,0,0|3,0,0]=4 29 B8R1.7 NC(=O)C1=CN=CS1 26207 [1,0,0,0,0,0|3,0,0]=4 30 B8R1.7 NC(=O)C1=CSC=N1 20877 [1,0,0,0,0,0|2,0,0]=3 31 B8R1.7 NC(=S)C1=CSC=N1 20876 [1,0,0,0,0,0|2,1,0]=4 32 B8R1.7 O=C(O)C1=CC=CN1 24486 [1,0,0,0,0,0|2,0,0]=3 33 B8R1.7 O=C(O)C1=CC=CO1 31538 [1,0,0,0,0,0|2,0,0]=3 34 B8R1.7 O=C(O)C1=CC=NN1 17336 [1,0,0,0,0,0|2,0,0]=3 35 B8R1.7 O=C(O)C1=CN=CO1 17808 [1,0,0,0,0,0|2,0,0]=3 36 B8R1.7 O=C(O)C1=CN=CS1 17129 [1,0,0,0,0,0|2,0,0]=3 37 B8R1.7 O=C(O)C1=CNC=N1 29769 [1,0,0,0,0,0|2,0,0]=3 38 B8R1.7 O=C(O)C1=COC=C1 26942 [1,0,0,0,0,0|0,1,0]=2 39 B8R1.7 O=C(O)C1=COC=N1 17539 [1,0,0,0,0,0|1,1,0]=3 40 B8R1.7 O=C(O)C1=CON=C1 18200 [1,0,0,0,0,0|1,1,0]=3 41 B8R1.7 O=C(O)C1=CSC=C1 16738 [1,0,0,0,0,0|0,0,0]=1 42 B8R1.7 O=C(O)C1=CSC=C1 26948 [1,0,0,0,0,0|0,0,0]=1 43 B8R1.7 O=C(O)C1=CSC=N1 17027 [1,0,0,0,0,0|1,0,0]=2 44 B8R1.7 O=C(O)C1=NC=CO1 19468 [1,0,0,0,0,0|3,0,0]=4 45 B8R1.7 O=C(O)C1=NC=CS1 17814 [1,0,0,0,0,0|3,0,0]=4 46 B8R1.7 O=C(O)C1=NNC=N1 16998 [1,0,0,0,0,0|3,0,0]=4 47 B8R1.7 O=C(O)C1=NOC=C1 17364 [1,0,0,0,0,0|1,1,0]=3 48 B8R1.7 O=C(O)C1=NSN=C1 17570 [1,0,0,0,0,0|2,0,0]=3 49 B8R1.7 O=C(O)C1C=CCN1 07036 [1,0,0,0,0,0|2,0,1]=4 50 B8R1.7 O=C(O)[C@@H]1C=CCN1 02563 [1,0,0,0,0,0|2,0,1]=4 51 B8R1.7 OB(O)C1=CSC=C1 28088 [1,0,0,0,0,0|1,0,1]=3 52 B10R1.14 CC1=NC(C(=O)NN)=CS1 28372 [0,1,0,0,0,0|3,0,0]=4 53 B10R1.14 COC(=O)C1=CN=C(C)O1 18745 [0,1,0,0,0,0|3,0,0]=4 54 B10R1.14 COC(=O)C1=CN=C(N)O1 24036 [0,1,0,0,0,0|3,0,0]=4 55 B10R1.14 COC(=O)C1=NOC(C)=C1 24799 [0,1,0,0,0,0|2,1,0]=4 56 B10R1.31 CCC1=CC(C(=O)O)=NO1 18109 [0,1,0,0,0,0|2,1,0]=4 57 B10R1.31 O=C(O)C1=CC=C(CO)O1 31899 [0,1,0,0,0,0|3,0,0]=4 58 B10R1.58 CC1=CC(C(=O)O)=NN1C 17098 [0,1,0,0,0,0|3,0,0]=4 59 B10R1.59 CC1=CC(C(=O)O)=C(C)O1 17143 [0,1,0,0,0,0|1,1,0]=3 60 B10R1.59 CC1=CC(C)=C(C(=O)O)N1 17255 [0,1,0,0,0,0|3,0,0]=4 61 B10R1.59 CC1=NC(C)=C(C(=O)O)S1 25030 [0,1,0,0,0,0|3,0,0]=4 62 B10R1.59 CC1=NN(C)C(C(=O)O)=C1 25100 [0,1,0,0,0,0|3,0,0]=4 63 B8R0.23 C=C(NC(C)=O)C(=O)O 11790 [0,0,1,0,0,0|2,1,0]=4 64 B10R1.13 CC(=O)C1=CC=C(C)C=C1 27193 [0,0,0,0,0,1|3,0,0]=4 65 B10R1.13 CC(=O)C1=CC=C(C)C=N1 17579 [0,0,0,0,0,1|3,0,0]=4 66 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 26758 [0,0,0,0,0,1|2,0,0]=3 67 B10R1.13 CC(=O)C1=CC=C(Cl)N=C1 28727 [0,0,0,0,0,1|2,0,0]=3 68 B10R1.13 CC(=O)C1=CC=C(F)C=C1 26748 [0,0,0,0,0,1|2,1,0]=4 69 B10R1.13 CC(=O)C1=CC=C(I)C=C1 27645 [0,0,0,0,0,1|2,1,0]=4 70 B10R1.13 CC(=O)C1=CC=C(O)C=C1 30857 [0,0,0,0,0,1|3,0,0]=4 71 B10R1.13 CC(=O)C1=CN=C(Br)C=C1 17580 [0,0,0,0,0,1|2,1,0]=4 72 B10R1.13 CC1=NC=C(C(N)=O)C=C1 27040 [0,0,0,0,0,1|3,0,0]=4 73 B10R1.13 NC(=O)C1=CC=C(N)C=C1 31572 [0,0,0,0,0,1|3,0,0]=4 74 B10R1.13 NC(=O)C1=CC=C(O)C=C1 27157 [0,0,0,0,0,1|3,0,0]=4 75 B10R1.13 NC(=O)C1=CN=C(Br)C=C1 28295 [0,0,0,0,0,1|2,1,0]=4 76 B10R1.13 NC(=O)C1=CN=C(Cl)C=C1 27009 [0,0,0,0,0,1|2,0,0]=3 77 B10R1.13 NC1=CC=C(C(=O)O)C=C1 01431 [0,0,0,0,0,1|2,0,0]=3 78 B10R1.13 NC1=CC=C(C(=O)[O-])C=C1 01581 [0,0,0,0,0,1|2,0,1]=4 79 B10R1.13 NC1=CN=C(C(=O)O)C=C1 17086 [0,0,0,0,0,1|2,0,0]=3 80 B10R1.13 NC1=CN=C(C(=O)O)C=N1 19075 [0,0,0,0,0,1|2,0,0]=3 81 B10R1.13 NC1=NC=C(C(=O)O)C=C1 16981 [0,0,0,0,0,1|2,0,0]=3 82 B10R1.13 NC1=NN=C(C(=O)O)C=C1 19168 [0,0,0,0,0,1|3,0,0]=4 83 B10R1.13 O=C(Cl)C1=CN=C(Cl)C=C1 27696 [0,0,0,0,0,1|2,0,0]=3 84 B10R1.13 O=C(O)C1=CC=C(Br)C=N1 28259 [0,0,0,0,0,1|1,1,0]=3 85 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 31562 [0,0,0,0,0,1|1,0,0]=2 86 B10R1.13 O=C(O)C1=CC=C(F)C=C1 26837 [0,0,0,0,0,1|1,1,0]=3 87 B10R1.13 O=C(O)C1=CC=C(I)C=C1 04894 [0,0,0,0,0,1|1,1,0]=3 88 B10R1.13 O=C(O)C1=CN=C(Br)C=C1 25743 [0,0,0,0,0,1|1,1,0]=3 89 B10R1.13 O=C(O)C1=CN=C(Cl)C=C1 27008 [0,0,0,0,0,1|1,0,0]=2 90 B10R1.13 O=C(O)C1=CN=C(Cl)C=C1 29559 [0,0,0,0,0,1|1,0,0]=2 91 B10R1.13 O=C(O)C1=CN=C(Cl)N=C1 18713 [0,0,0,0,0,1|1,0,0]=2 92 B10R1.13 O=C(O)C1=CN=C(O)C=C1 24512 [0,0,0,0,0,1|2,0,0]=3 93 B10R1.13 O=C(O)C1=NC=C(Cl)C=C1 28862 [0,0,0,0,0,1|1,0,0]=2 94 B10R1.13 O=C(O)C1=NC=C(O)C=C1 28835 [0,0,0,0,0,1|2,0,0]=3 95 B10R1.13 O=C([O-])C1=CC=C(O)C=C1 00597 [0,0,0,0,0,1|2,0,1]=4 96 B10R1.13 O=C1C=CC(C(=O)O)=CO1 28092 [0,0,0,0,0,1|1,1,0]=3 97 B10R1.13 O=[N+]([O-])C1=CC=C(Cl)C=N1 28673 [0,0,0,0,0,1|2,0,1]=4 98 B10R1.13 O=[N+]([O-])C1=CN=C(Cl)C=C1 25556 [0,0,0,0,0,1|2,0,1]=4 99 B10R1.13 OB(O)C1=CC=C(Cl)C=C1 27554 [0,0,0,0,0,1|2,0,1]=4 100 B10R1.13 OB(O)C1=CN=C(Cl)C=C1 16980 [0,0,0,0,0,1|2,0,1]=4 101 B10R1.54 CC1=NC(CC(=O)O)=CS1 17131 [0,0,0,0,0,1|2,0,0]=3 102 B10R1.113 CC(=O)C1=CC(Br)=CN=C1 28669 [0,0,0,0,0,1|2,1,0]=4 103 B10R1.113 CC(=O)C1=CC(Cl)=NC=C1 29041 [0,0,0,0,0,1|2,0,0]=3 104 B10R1.113 CC(=O)C1=CC=CC(Br)=C1 26733 [0,0,0,0,0,1|2,1,0]=4 105 B10R1.113 CC(=O)C1=CC=CC(Cl)=C1 26755 [0,0,0,0,0,1|2,0,0]=3 106 B10R1.113 CC(=O)C1=CC=CC(F)=C1 26746 [0,0,0,0,0,1|2,1,0]=4 107 B10R1.113 CC(=O)C1=CC=CC(O)=C1 30369 [0,0,0,0,0,1|3,0,0]=4 108 B10R1.113 CC(=O)C1=NC=CC(C)=C1 28572 [0,0,0,0,0,1|3,0,0]=4 109 B10R1.113 CC1=CC=CC(C(=O)O)=C1 29915 [0,0,0,0,0,1|2,0,0]=3 110 B10R1.113 CC1=CN=CC(C(=O)O)=C1 28423 [0,0,0,0,0,1|2,0,0]=3 111 B10R1.113 C[N+]1=CC(C(=O)O)=CC=C1 21732 [0,0,0,0,0,1|3,0,0]=4 112 B10R1.113 C[N+]1=CC(C(=O)O)=CC=C1 32536 [0,0,0,0,0,1|3,0,0]=4 113 B10R1.113 N=C(N)C1=CC=CC(Cl)=C1 18893 [0,0,0,0,0,1|3,0,0]=4 114 B10R1.113 NC(=O)C1=CC(N)=CC=C1 31578 [0,0,0,0,0,1|3,0,0]=4 115 B10R1.113 NC(=O)C1=CC(N)=NC=C1 28791 [0,0,0,0,0,1|3,0,0]=4 116 B10R1.113 NC(=O)C1=CC=CC(I)=C1 27982 [0,0,0,0,0,1|2,1,0]=4 117 B10R1.113 NC(=O)C1=CC=NC(Cl)=N1 26110 [0,0,0,0,0,1|3,0,0]=4 118 B10R1.113 NC1=CC(C(=O)O)=CC=C1 06887 [0,0,0,0,0,1|2,0,0]=3 119 B10R1.113 NC1=CC(C(=O)O)=CC=N1 28237 [0,0,0,0,0,1|2,0,0]=3 120 B10R1.113 NC1=CC(C(=O)O)=NC=C1 17204 [0,0,0,0,0,1|2,0,0]=3 121 B10R1.113 NC1=NC(C(=O)O)=CC=C1 28235 [0,0,0,0,0,1|3,0,0]=4 122 B10R1.113 NC1=NC(C(=O)O)=CC=N1 26235 [0,0,0,0,0,1|3,0,0]=4 123 B10R1.113 O=C(O)C1=CC(Br)=CN=C1 25550 [0,0,0,0,0,1|1,1,0]=3 124 B10R1.113 O=C(O)C1=CC(Cl)=CC=C1 31561 [0,0,0,0,0,1|1,0,0]=2 125 B10R1.113 O=C(O)C1=CC(Cl)=CC=N1 28167 [0,0,0,0,0,1|1,0,0]=2 126 B10R1.113 O=C(O)C1=CC(F)=CC=C1 30016 [0,0,0,0,0,1|1,1,0]=3 127 B10R1.113 O=C(O)C1=CC=CC(Cl)=N1 28102 [0,0,0,0,0,1|2,0,0]=3 128 B10R1.113 O=C(O)C1=CC=C[N+]([O-])=C1 26991 [0,0,0,0,0,1|3,0,0]=4 129 B10R1.113 O=C(O)C1=CC=NC(Br)=C1 28522 [0,0,0,0,0,1|1,1,0]=3 130 B10R1.113 O=C(O)C1=CC=NC(Cl)=N1 18712 [0,0,0,0,0,1|2,0,0]=3 131 B10R1.113 O=C(O)C1=CC=NC(O)=C1 17184 [0,0,0,0,0,1|2,0,0]=3 132 B10R1.113 O=C(O)C1=CN=CC(F)=C1 17284 [0,0,0,0,0,1|1,1,0]=3 133 B10R1.113 O=C(O)C1=NC(Br)=CC=C1 27904 [0,0,0,0,0,1|2,1,0]=4 134 B10R1.113 O=C(O)C1=NC=CC(I)=C1 17484 [0,0,0,0,0,1|1,1,0]=3 135 B10R1.113 O=[N+]([O-])C1=CC=NC(Cl)=C1 26078 [0,0,0,0,0,1|2,0,1]=4 136 B10R1.113 OB(O)C1=CC(Cl)=CC=C1 31440 [0,0,0,0,0,1|2,0,1]=4 137 B7R0.4 C\C=C\C=C\C(=O)O 01526 [1,0,1,0,0,0|1,0,1]=4 138 B7R0.6 O=C(O)\C=C/C(=O)O 01181 [1,0,1,0,0,0|1,1,0]=4 139 B7R1.1 N#CC1=CSC=C1 28089 [2,0,0,0,0,0|1,0,1]=4 140 B7R1.1 O=CC1=CC=CO1 32011 [2,0,0,0,0,0|2,0,0]=4 141 B7R1.1 O=CC1=CC=CS1 26946 [2,0,0,0,0,0|2,0,0]=4 142 B7R1.1 O=CC1=CN=CO1 19473 [2,0,0,0,0,0|2,0,0]=4 143 B7R1.1 O=CC1=CN=CS1 24726 [2,0,0,0,0,0|2,0,0]=4 144 B7R1.1 O=CC1=CNC=N1 28139 [2,0,0,0,0,0|2,0,0]=4 145 B7R1.1 O=CC1=CNN=C1 17608 [2,0,0,0,0,0|2,0,0]=4 146 B7R1.1 O=CC1=COC=N1 19470 [2,0,0,0,0,0|1,1,0]=4 147 B7R1.1 O=CC1=CON=C1 17796 [2,0,0,0,0,0|1,1,0]=4 148 B7R1.1 O=CC1=CSC=N1 17392 [2,0,0,0,0,0|1,0,0]=3 149 B7R1.1 O=CC1=NNC=C1 17422 [2,0,0,0,0,0|2,0,0]=4 150 B7R1.1 O=CC1=NOC=C1 17795 [2,0,0,0,0,0|1,1,0]=4 151 B7R1.1 O=CN1C=CN=C1 29216 [2,0,0,0,0,0|2,0,0]=4 152 B7R1.1 OCC1=COC=C1 26943 [2,0,0,0,0,0|0,1,1]=4 153 B7R1.1 OCC1=CSC=N1 28872 [2,0,0,0,0,0|1,0,1]=4 154 B7R1.2 CC1=CSC(Cl)=N1 18699 [2,0,0,0,0,0|1,0,1]=4 155 B9R1.22 O=CC1=C(Cl)N=C(Cl)S1 28400 [1,1,0,0,0,0|2,0,0]=4 156 B9R1.11 COC(=O)C1=CC=CN1 28422 [1,1,0,0,0,0|2,0,0]=4 157 B9R1.11 COC(=O)C1=CN=CS1 26172 [1,1,0,0,0,0|2,0,0]=4 158 B9R1.11 COC(=O)C1=COC=C1 28925 [1,1,0,0,0,0|0,1,0]=3 159 B9R1.11 NNC(=O)C1=CSC=N1 20878 [1,1,0,0,0,0|2,0,0]=4 160 B9R1.11 O=C(O[Cu])C1=CC=CS1 31864 [1,1,0,0,0,0|2,0,0]=4 161 B9R1.41 CC1=C(C(=O)O)C=NO1 25805 [1,1,0,0,0,0|1,1,0]=4 162 B9R1.41 CC1=C(C(=O)O)N=CO1 26237 [1,1,0,0,0,0|1,1,0]=4 163 B9R1.41 CC1=C(C(=O)O)N=CS1 19136 [1,1,0,0,0,0|1,0,0]=3 164 B9R1.41 CC1=C(C(=O)O)SC=N1 25977 [1,1,0,0,0,0|2,0,0]=4 165 B9R1.41 CC1=NNC=C1C(=O)O 24720 [1,1,0,0,0,0|2,0,0]=4 166 B9R1.41 CC1=NOC=C1C(=O)O 17198 [1,1,0,0,0,0|1,1,0]=4 167 B9R1.41 CN1N=CC=C1C(=O)O 17033 [1,1,0,0,0,0|2,0,0]=4 168 B9R1.41 NC1=NNC=C1C(=O)O 30826 [1,1,0,0,0,0|2,0,0]=4 169 B9R1.41 O=C(O)C1=C(Br)C=CS1 27708 [1,1,0,0,0,0|2,0,0]=4 170 B9R1.41 O=C(O)C1=C(Br)SC=C1 30710 [1,1,0,0,0,0|0,0,0]=2 171 B9R1.41 O=C(O)C1=CSC=C1Br 17701 [1,1,0,0,0,0|0,0,0]=2 172 B9R1.41 O=C(O)C1=NNC=C1Br 26138 [1,1,0,0,0,0|2,0,0]=4 173 B11R1.3 C#CC1=CC=C(C(=O)O)C=C1 18069 [0,1,0,0,0,1|2,0,0]=4 174 B11R1.3 C=CC1=CC=C(C(=O)O)C=C1 04906 [0,1,0,0,0,1|2,0,0]=4 175 B11R1.3 CCC1=CC=C(C(=O)O)C=C1 22537 [0,1,0,0,0,1|2,0,0]=4 176 B11R1.3 COC1=CC=C(C(=O)O)C=C1 30356 [0,1,0,0,0,1|2,0,0]=4 177 B11R1.3 NCC1=CC=C(C(=O)O)C=C1 14307 [0,1,0,0,0,1|2,0,0]=4 178 B11R1.3 NNC1=NC=C(C(=O)O)C=C1 28787 [0,1,0,0,0,1|2,0,0]=4 179 B11R1.3 O=C(O)C1=CC=C(CBr)C=C1 30427 [0,1,0,0,0,1|1,1,0]=4 180 B11R1.3 O=C(O)C1=CC=C(CO)C=C1 02318 [0,1,0,0,0,1|2,0,0]=4 181 B11R1.3 O=C(O)C1=CC=C([Hg]Cl)C=C1 21608 [0,1,0,0,0,1|1,0,0]=3 182 B11R1.3 O=CC1=CC=C(C(=O)O)C=C1 27092 [0,1,0,0,0,1|2,0,0]=4 183 B11R1.21 CC1=C(Br)C=CC(C(=O)O)=C1 26089 [0,1,0,0,0,1|1,1,0]=4 184 B11R1.21 CC1=C(C)C=C(C(=O)O)C=C1 26836 [0,1,0,0,0,1|2,0,0]=4 185 B11R1.21 CC1=C(Cl)C=C(C(=O)O)C=C1 27650 [0,1,0,0,0,1|2,0,0]=4 186 B11R1.21 CC1=C(Cl)C=CC(C(=O)O)=C1 27654 [0,1,0,0,0,1|1,0,0]=3 187 B11R1.21 CC1=C(I)C=C(C(=O)O)C=C1 27242 [0,1,0,0,0,1|2,0,0]=4 188 B11R1.21 CC1=C(N)C=C(C(=O)O)C=C1 27138 [0,1,0,0,0,1|2,0,0]=4 189 B11R1.21 CC1=C(N)C=CC(C(=O)O)=C1 27137 [0,1,0,0,0,1|2,0,0]=4 190 B11R1.21 CC1=C(O)C=C(C(=O)O)C=C1 26832 [0,1,0,0,0,1|2,0,0]=4 191 B11R1.21 CC1=CC(C(=O)O)=CC=C1O 28602 [0,1,0,0,0,1|2,0,0]=4 192 B11R1.21 NC(=O)C1=CC(N)=C(Cl)C=C1 31573 [0,1,0,0,0,1|2,0,0]=4 193 B11R1.21 NC1=C(Br)C=C(C(=O)O)C=C1 28729 [0,1,0,0,0,1|2,0,0]=4 194 B11R1.21 NC1=C(Br)C=C(C(=O)O)C=N1 29313 [0,1,0,0,0,1|2,0,0]=4 195 B11R1.21 NC1=C(Br)C=CC(C(=O)O)=C1 28357 [0,1,0,0,0,1|1,1,0]=4 196 B11R1.21 NC1=C(Cl)C=CC(C(=O)O)=C1 31569 [0,1,0,0,0,1|1,0,0]=3 197 B11R1.21 NC1=C(N)C=C(C(=O)O)C=C1 24532 [0,1,0,0,0,1|2,0,0]=4 198 B11R1.21 O=C(O)C1=CC(Br)=C(O)C=C1 29089 [0,1,0,0,0,1|2,0,0]=4 199 B11R1.21 O=C(O)C1=CC(Cl)=C(Br)C=C1 29094 [0,1,0,0,0,1|1,1,0]=4 200 B11R1.21 O=C(O)C1=CC(Cl)=C(O)C=C1 26840 [0,1,0,0,0,1|2,0,0]=4 201 B11R1.21 O=C(O)C1=CC(O)=C(O)C=C1 21881 [0,1,0,0,0,1|2,0,0]=4 202 B11R1.21 O=C(O)C1=CN=C(Cl)C(Br)=C1 17497 [0,1,0,0,0,1|1,0,0]=3 203 B11R1.21 O=C(O)C1=CN=C(Cl)C(Cl)=C1 27836 [0,1,0,0,0,1|1,0,0]=3 204 B11R1.21 O=C(O)C1=CN=C(O)C(Cl)=C1 27720 [0,1,0,0,0,1|2,0,0]=4 205 B11R1.22 CCC(=O)C1=CC=C(Cl)C=C1 26760 [0,1,0,0,0,1|2,0,0]=4 206 B11R1.22 COC(=O)C1=CC=C(Br)C=N1 28838 [0,1,0,0,0,1|1,1,0]=4 207 B11R1.22 COC(=O)C1=CC=C(F)C=C1 30021 [0,1,0,0,0,1|1,1,0]=4 208 B11R1.22 COC(=O)C1=CC=C(I)C=C1 27404 [0,1,0,0,0,1|1,1,0]=4 209 B11R1.22 COC(=O)C1=CN=C(C)C=C1 30854 [0,1,0,0,0,1|2,0,0]=4 210 B11R1.22 COC(=O)C1=CN=C(Cl)C=C1 27477 [0,1,0,0,0,1|1,0,0]=3 211 B11R1.22 COC(=O)C1=COC(=O)C=C1 27235 [0,1,0,0,0,1|1,1,0]=4 212 B11R1.22 N#CC(=O)C1=CC=C(Cl)C=C1 18293 [0,1,0,0,0,1|2,0,0]=4 213 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 28481 [0,1,0,0,0,1|2,0,0]=4 214 B11R1.22 O=C(CBr)C1=CC=C(Cl)C=C1 26759 [0,1,0,0,0,1|2,0,0]=4 215 B11R1.166 CC(=O)C1=C(C)C=C(Cl)C=C1 29048 [0,1,0,0,0,1|2,0,0]=4 216 B11R1.166 CC(=O)C1=C(Cl)C=C(Cl)C=C1 26753 [0,1,0,0,0,1|2,0,0]=4 217 B11R1.166 CC1=C(C(=O)O)C=CC(Cl)=C1 27653 [0,1,0,0,0,1|1,0,0]=3 218 B11R1.166 CC1=C(C(=O)O)C=CC(N)=C1 17475 [0,1,0,0,0,1|2,0,0]=4 219 B11R1.166 CC1=C(C(=O)O)C=CC(O)=C1 28616 [0,1,0,0,0,1|2,0,0]=4 220 B11R1.166 CC1=C(C(=O)O)N=CC(Br)=C1 26218 [0,1,0,0,0,1|1,1,0]=4 221 B11R1.166 CC1=CC(C)=C(C(=O)O)C=C1 26826 [0,1,0,0,0,1|2,0,0]=4 222 B11R1.166 CC1=CC(N)=NC=C1C(=O)O 29221 [0,1,0,0,0,1|2,0,0]=4 223 B11R1.166 CC1=CC(O)=C(C(=O)O)C=C1 29907 [0,1,0,0,0,1|2,0,0]=4 224 B11R1.166 CC1=CC=C(C(=O)O)C(C)=N1 18665 [0,1,0,0,0,1|2,0,0]=4 225 B11R1.166 NC1=C(C(=O)O)C=CC(F)=C1 21237 [0,1,0,0,0,1|1,1,0]=4 226 B11R1.166 NC1=CC(Cl)=C(C(=O)O)C=C1 31570 [0,1,0,0,0,1|2,0,0]=4 227 B11R1.166 NC1=CC(Cl)=CC=C1C(=O)O 21851 [0,1,0,0,0,1|1,0,0]=3 228 B11R1.166 NC1=CC(F)=C(C(=O)O)C=C1 24633 [0,1,0,0,0,1|2,0,0]=4 229 B11R1.166 NC1=CC(O)=C(C(=O)O)C=C1 02102 [0,1,0,0,0,1|2,0,0]=4 230 B11R1.166 O=C(O)C1=C(Br)C=C(Br)C=N1 28942 [0,1,0,0,0,1|1,1,0]=4 231 B11R1.166 O=C(O)C1=C(Cl)C=C(Br)C=C1 27590 [0,1,0,0,0,1|1,1,0]=4 232 B11R1.166 O=C(O)C1=C(Cl)C=C(Cl)C=C1 31563 [0,1,0,0,0,1|1,0,0]=3 233 B11R1.166 O=C(O)C1=C(Cl)C=C(Cl)N=C1 23268 [0,1,0,0,0,1|1,0,0]=3 234 B11R1.166 O=C(O)C1=C(Cl)C=C(F)C=C1 31153 [0,1,0,0,0,1|1,1,0]=4 235 B11R1.166 O=C(O)C1=C(Cl)C=C(O)C=C1 28404 [0,1,0,0,0,1|2,0,0]=4 236 B11R1.166 O=C(O)C1=C(F)C=C(Cl)C=C1 24579 [0,1,0,0,0,1|1,0,0]=3 237 B11R1.166 O=C(O)C1=CC=C(I)C=C1Cl 28905 [0,1,0,0,0,1|1,1,0]=4 238 B11R1.645 O=C(O)CC1=CC(=O)OC1=O 21622 [0,1,0,0,0,1|1,1,0]=4 239 B11R1.23 CCC(=O)C1=CC=CC(Cl)=C1 27232 [0,1,0,0,0,1|2,0,0]=4 240 B11R1.23 COC(=O)C1=CC(N)=NC=C1 28826 [0,1,0,0,0,1|2,0,0]=4 241 B11R1.23 COC(=O)C1=CC=CC(Cl)=N1 28103 [0,1,0,0,0,1|2,0,0]=4 242 B11R1.23 COC(=O)C1=CN=CC(Br)=C1 25549 [0,1,0,0,0,1|1,1,0]=4 243 B11R1.23 COC(=O)C1=CN=CC(N)=C1 18099 [0,1,0,0,0,1|2,0,0]=4 244 B11R1.23 N#CC(=O)C1=CC=CC(Cl)=C1 17824 [0,1,0,0,0,1|2,0,0]=4 245 B11R1.74 CC(=O)C1=CC(Cl)=CC(Cl)=C1 27644 [0,1,0,0,0,1|2,0,0]=4 246 B11R1.74 CC1=CC(C(=O)Cl)=CC(Cl)=N1 25714 [0,1,0,0,0,1|2,0,0]=4 247 B11R1.74 CC1=CC(C(=O)O)=CC(=O)N1 25552 [0,1,0,0,0,1|2,0,0]=4 248 B11R1.74 CC1=CC(C(=O)O)=CC(O)=N1 25692 [0,1,0,0,0,1|2,0,0]=4 249 B11R1.74 CC1=CC(C)=CC(C(=O)O)=C1 21256 [0,1,0,0,0,1|2,0,0]=4 250 B11R1.74 CC1=NC(Cl)=CC(C(=O)O)=C1 25553 [0,1,0,0,0,1|1,0,0]=3 251 B11R1.74 NC1=CC(Br)=CC(C(=O)O)=C1 28229 [0,1,0,0,0,1|1,1,0]=4 252 B11R1.74 O=C(O)C1=CC(Br)=CC(Br)=C1 27695 [0,1,0,0,0,1|1,1,0]=4 253 B11R1.74 O=C(O)C1=CC(I)=CC(Br)=C1 28173 [0,1,0,0,0,1|1,1,0]=4 254 B11R1.74 O=C(O)C1=CC(O)=CC(Br)=C1 28999 [0,1,0,0,0,1|1,1,0]=4 255 B11R1.74 O=C(O)C1=CC(O)=CC(Cl)=C1 18890 [0,1,0,0,0,1|1,0,0]=3 256 B11R1.159 CC(=O)C1=CC=NC(Cl)=C1N 17875 [0,1,0,0,0,1|2,0,0]=4 257 B11R1.159 CC1=C(Br)C(C(=O)O)=CC=C1 27861 [0,1,0,0,0,1|2,0,0]=4 258 B11R1.159 CC1=C(Br)C=CC=C1C(=O)O 26118 [0,1,0,0,0,1|1,1,0]=4 259 B11R1.159 CC1=C(C(=O)O)C=CC=C1Cl 27721 [0,1,0,0,0,1|1,0,0]=3 260 B11R1.159 CC1=C(C(=O)O)C=CC=C1O 28377 [0,1,0,0,0,1|2,0,0]=4 261 B11R1.159 CC1=C(Cl)C(C(=O)O)=CC=C1 27865 [0,1,0,0,0,1|2,0,0]=4 262 B11R1.159 CC1=C(I)C=CC=C1C(=O)O 28302 [0,1,0,0,0,1|1,1,0]=4 263 B11R1.159 CC1=C(N)C(C(=O)O)=CC=C1 27140 [0,1,0,0,0,1|2,0,0]=4 264 B11R1.159 CC1=C(N)C=CC=C1C(=O)O 27829 [0,1,0,0,0,1|2,0,0]=4 265 B11R1.159 CC1=CC=CC(C(=O)O)=C1O 26822 [0,1,0,0,0,1|2,0,0]=4 266 B11R1.159 NC1=C(O)C(C(=O)O)=CC=C1 27240 [0,1,0,0,0,1|2,0,0]=4 267 B11R1.159 NC1=CC=CC(C(=O)O)=C1Cl 28171 [0,1,0,0,0,1|2,0,0]=4 268 B11R1.159 NC1=CC=CC(C(=O)O)=C1N 29440 [0,1,0,0,0,1|2,0,0]=4 269 B11R1.159 O=C(O)C1=C(Cl)C(Cl)=CC=C1 31152 [0,1,0,0,0,1|1,0,0]=3 270 B11R1.167 CC(=O)C1=C(Cl)C=CC(Cl)=C1 31181 [0,1,0,0,0,1|2,0,0]=4 271 B11R1.167 CC(=O)C1=CC(Cl)=CC=C1O 26010 [0,1,0,0,0,1|2,0,0]=4 272 B11R1.167 CC1=C(C(=O)O)C=C(N)C=C1 28928 [0,1,0,0,0,1|2,0,0]=4 273 B11R1.167 CC1=C(C(=O)O)C=C(O)C=C1 29214 [0,1,0,0,0,1|2,0,0]=4 274 B11R1.167 CC1=CC(C(=O)O)=C(N)C=C1 27152 [0,1,0,0,0,1|2,0,0]=4 275 B11R1.167 CC1=CC=C(Br)C(C(=O)O)=C1 27862 [0,1,0,0,0,1|2,0,0]=4 276 B11R1.167 CC1=CC=C(Br)C=C1C(=O)O 28296 [0,1,0,0,0,1|1,1,0]=4 277 B11R1.167 CC1=CC=C(Cl)C=C1C(=O)O 27651 [0,1,0,0,0,1|1,0,0]=3 278 B11R1.167 CC1=CC=C(I)C=C1C(=O)O 31957 [0,1,0,0,0,1|1,1,0]=4 279 B11R1.167 CC1=NN=C(Cl)C(C(=O)O)=C1 24025 [0,1,0,0,0,1|2,0,0]=4 280 B11R1.167 NC1=C(C(=O)O)C=C(Br)C=C1 21240 [0,1,0,0,0,1|1,1,0]=4 281 B11R1.167 NC1=C(C(=O)O)C=C(Cl)C=C1 27149 [0,1,0,0,0,1|1,0,0]=3 282 B11R1.167 NC1=C(C(=O)O)C=C(Cl)C=C1 29523 [0,1,0,0,0,1|1,0,0]=3 283 B11R1.167 NC1=C(C(=O)O)C=C(I)C=C1 21254 [0,1,0,0,0,1|1,1,0]=4 284 B11R1.167 NC1=CC(C(=O)O)=C(Cl)C=C1 31571 [0,1,0,0,0,1|2,0,0]=4 285 B11R1.167 NC1=CC(C(=O)O)=C(Cl)N=C1 19066 [0,1,0,0,0,1|2,0,0]=4 286 B11R1.167 NC1=CC(C(=O)O)=C(O)C=C1 31581 [0,1,0,0,0,1|2,0,0]=4 287 B11R1.167 NC1=CC=C(F)C=C1C(=O)O 24582 [0,1,0,0,0,1|1,1,0]=4 288 B11R1.167 NC1=CN=C(Cl)C=C1C(=O)O 28970 [0,1,0,0,0,1|1,0,0]=3 289 B11R1.167 NC1=CN=C(F)C=C1C(=O)O 19068 [0,1,0,0,0,1|1,1,0]=4 290 B11R1.167 O=C(O)C1=C(Br)C=CC(Cl)=C1 27368 [0,1,0,0,0,1|1,0,0]=3 291 B11R1.167 O=C(O)C1=C(Br)C=CC(O)=C1 28998 [0,1,0,0,0,1|2,0,0]=4 292 B11R1.167 O=C(O)C1=C(Cl)C=CC(F)=C1 28107 [0,1,0,0,0,1|1,1,0]=4 293 B11R1.167 O=C(O)C1=C(Cl)C=CC(O)=C1 28820 [0,1,0,0,0,1|2,0,0]=4 294 B11R1.167 O=C(O)C1=C(O)C=CC(Br)=C1 26824 [0,1,0,0,0,1|1,1,0]=4 295 B11R1.167 O=C(O)C1=C(O)C=CC(Cl)=C1 26825 [0,1,0,0,0,1|1,0,0]=3 296 B11R1.167 O=C(O)C1=CC(Br)=CC=C1I 31946 [0,1,0,0,0,1|1,1,0]=4 297 B11R1.167 O=C(O)C1=CC(Br)=NC=C1F 31169 [0,1,0,0,0,1|1,1,0]=4 298 B11R1.167 O=C(O)C1=CC(Cl)=NC=C1Cl 28344 [0,1,0,0,0,1|1,0,0]=3 299 B11R1.167 O=C(O)C1=CC(F)=CN=C1Cl 28676 [0,1,0,0,0,1|1,1,0]=4 300 B11R1.167 O=C(O)C1=CC(I)=CC=C1Br 27859 [0,1,0,0,0,1|1,1,0]=4 301 B11R1.167 O=C(O)C1=CC(I)=CC=C1Cl 31744 [0,1,0,0,0,1|1,1,0]=4 302 B11R1.167 O=C(O)C1=CC(O)=CC=C1I 28288 [0,1,0,0,0,1|2,0,0]=4 303 B11R1.167 O=C(O)C1=NC(Cl)=CC=C1Br 29173 [0,1,0,0,0,1|2,0,0]=4 304 B11R1.266 C#CC1=CC(C(=O)O)=CC=C1 18900 [0,1,0,0,0,1|2,0,0]=4 305 B11R1.266 COC1=CC(C(=O)O)=CC=N1 28871 [0,1,0,0,0,1|2,0,0]=4 306 B11R1.266 N#CC1=CC=CC(C(=O)O)=C1 05410 [0,1,0,0,0,1|2,0,0]=4 307 B11R1.266 NCC1=CC(C(=O)O)=CC=C1 07165 [0,1,0,0,0,1|2,0,0]=4 308 B11R1.266 NCC1=CC(C(=O)O)=CC=C1 28733 [0,1,0,0,0,1|2,0,0]=4 309 B11R1.266 O=C(O)C1=CC(CO)=CC=C1 28927 [0,1,0,0,0,1|2,0,0]=4 310 B11R1.15 CCOC(=O)C1=COC(Cl)=N1 24730 [0,2,0,0,0,0|1,1,0]=4 311 B11R1.15 CCOC(=O)C1=CSC(Br)=N1 24982 [0,2,0,0,0,0|1,1,0]=4 312 B11R1.15 CCOC(=O)C1=CSC(C)=N1 29995 [0,2,0,0,0,0|2,0,0]=4 313 B11R1.15 CCOC(=O)C1=CSC(Cl)=N1 24742 [0,2,0,0,0,0|1,0,0]=3 314 B11R1.15 CCOC(=O)C1=CSC(N)=N1 29994 [0,2,0,0,0,0|2,0,0]=4 315 B11R1.225 COC(=O)C1=C(Br)SC(C)=C1 24055 [0,2,0,0,0,0|1,0,0]=3 316 B11R1.225 COC(=O)C1=C(Br)SC(C)=N1 26285 [0,2,0,0,0,0|2,0,0]=4 317 B9R1.6 O=C(O)C1=CC=CC=C1 00477 [0,0,1,1,0,0|2,0,0]=4 318 B9R1.6 O=C(O)C1=CC=CC=C1 27349 [0,0,1,1,0,0|2,0,0]=4 319 B9R1.6 O=C(O)C1=CC=CC=C1 32003 [0,0,1,1,0,0|2,0,0]=4 320 B9R1.6 O=C(O)C1=CC=CN=C1 01616 [0,0,1,1,0,0|2,0,0]=4 321 B9R1.2 O=CC1=CC(Br)=CC=C1 21244 [1,0,0,0,0,1|1,1,0]=4 322 B9R1.2 O=CC1=CC(Br)=NC=C1 28825 [1,0,0,0,0,1|1,1,0]=4 323 B9R1.2 O=CC1=CC(Cl)=CC=C1 31157 [1,0,0,0,0,1|1,0,0]=3 324 B9R1.2 O=CC1=CC(F)=CC=C1 30014 [1,0,0,0,0,1|1,1,0]=4 325 B9R1.2 O=CC1=CC(F)=NC=C1 26194 [1,0,0,0,0,1|1,1,0]=4 326 B9R1.2 O=CC1=CC(O)=CC=C1 21925 [1,0,0,0,0,1|2,0,0]=4 327 B9R1.2 O=CC1=CC(O)=NC=C1 17656 [1,0,0,0,0,1|2,0,0]=4 328 B9R1.13 O=C(O)CC1=CNC=N1 26054 [1,0,0,0,0,1|2,0,0]=4 329 B9R1.13 O=C(O)CN1C=CN=C1 28546 [1,0,0,0,0,1|2,0,0]=4 330 B11R1.20 CC1=CC=C(CC(=O)O)C=C1 21980 [0,0,0,0,0,2|2,0,0]=4 331 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 26910 [0,0,0,0,0,2|1,1,0]=4 332 B11R1.20 O=C(O)CC1=CC=C(Cl)C=C1 21248 [0,0,0,0,0,2|1,0,0]=3 333 B11R1.20 O=C(O)CC1=CC=C(I)C=C1 27878 [0,0,0,0,0,2|1,1,0]=4 334 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 21242 [0,0,0,0,0,2|2,0,0]=4 335 B11R1.20 O=C(O)CC1=CC=C(S)C=C1 28402 [0,0,0,0,0,2|2,0,0]=4 336 B11R1.157 NC1=CC(CC(=O)O)=CC=C1 28953 [0,0,0,0,0,2|2,0,0]=4 337 B11R1.157 O=C(O)CC1=CC(I)=CC=C1 27657 [0,0,0,0,0,2|1,1,0]=4