0 B10R1.58 CC1=C(Br)C=C(B(O)O)S1 32781 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.58 CC1=C(C)SC(C(=O)O)=C1 7743 [0,0,0,0,0,0|1,0,0]=1 2 B10R1.58 CN1N=C(C(=O)O)C=C1Br 34338 [0,0,0,0,0,0|3,1,0]=4 3 B10R1.58 O=C(O)C1=CC(Br)=C(Br)O1 29050 [0,0,0,0,0,0|1,2,0]=3 4 B10R1.58 O=C(O)C1=CC(Br)=C(Br)S1 7747 [0,0,0,0,0,0|1,1,0]=2 5 B9R1.23 CC1=C(Br)SC(C#N)=C1 22066 [1,0,0,0,0,0|1,1,1]=4 6 B9R1.23 CC1=C(C)SC(C=O)=C1 20559 [1,0,0,0,0,0|1,0,0]=2 7 B9R1.23 O=CC1=CC(Br)=C(Br)O1 4061 [1,0,0,0,0,0|1,2,0]=4 8 B9R1.35 CC(=O)C1=CC(C)=CS1 5214 [1,0,0,0,0,0|1,0,0]=2 9 B9R1.35 CC(=O)C1=CC(C)=NO1 24234 [1,0,0,0,0,0|2,1,0]=4 10 B9R1.35 CC(=O)C1=CC(Cl)=CS1 44706 [1,0,0,0,0,0|2,0,0]=3 11 B9R1.35 CC(=O)C1=CC=C(Br)S1 5219 [1,0,0,0,0,0|1,1,0]=3 12 B9R1.35 CC(=O)C1=CC=C(C)O1 6971 [1,0,0,0,0,0|2,1,0]=4 13 B9R1.35 CC(=O)C1=CC=C(C)S1 5212 [1,0,0,0,0,0|2,0,0]=3 14 B9R1.35 CC(=O)C1=CC=C(Cl)S1 2614 [1,0,0,0,0,0|1,0,0]=2 15 B9R1.35 CC(=O)C1=CSC(Cl)=C1 24099 [1,0,0,0,0,0|3,0,0]=4 16 B9R1.35 CC1=CC(C(=O)O)=NO1 15552 [1,0,0,0,0,0|2,0,0]=3 17 B9R1.35 CC1=CC=C(B(O)O)S1 7558 [1,0,0,0,0,0|2,0,1]=4 18 B9R1.35 CC1=CC=C(C(=O)O)S1 5206 [1,0,0,0,0,0|1,0,0]=2 19 B9R1.35 CC1=CN=C(C(=O)O)S1 23003 [1,0,0,0,0,0|2,0,0]=3 20 B9R1.35 CC1=CNC(C(=O)O)=C1 13375 [1,0,0,0,0,0|1,0,0]=2 21 B9R1.35 CC1=CSC(B(O)O)=C1 6437 [1,0,0,0,0,0|1,0,1]=3 22 B9R1.35 CC1=CSC(C(=O)O)=C1 9431 [1,0,0,0,0,0|0,0,0]=1 23 B9R1.35 CC1=NC=C(C(=O)O)S1 22287 [1,0,0,0,0,0|2,0,0]=3 24 B9R1.35 CC1=NNC(C(=O)O)=C1 7842 [1,0,0,0,0,0|2,0,0]=3 25 B9R1.35 CN1C=C(C(=O)O)C=N1 20860 [1,0,0,0,0,0|3,0,0]=4 26 B9R1.35 CN1C=CC(C(=O)O)=C1 25790 [1,0,0,0,0,0|2,0,0]=3 27 B9R1.35 CN1C=NC(C(=O)O)=C1 9001 [1,0,0,0,0,0|2,0,0]=3 28 B9R1.35 NC(=O)C1=CC=C(Br)N1 24946 [1,0,0,0,0,0|2,1,0]=4 29 B9R1.35 NC(=O)C1=CN=C(Br)S1 34305 [1,0,0,0,0,0|2,1,0]=4 30 B9R1.35 NC1=NC(C(=O)O)=CO1 19787 [1,0,0,0,0,0|3,0,0]=4 31 B9R1.35 NC1=NC(C(=O)O)=CS1 8903 [1,0,0,0,0,0|3,0,0]=4 32 B9R1.35 NC1=NC(C(=O)O)=CS1 9934 [1,0,0,0,0,0|3,0,0]=4 33 B9R1.35 NC1=NC=C(C(=O)O)S1 21384 [1,0,0,0,0,0|2,0,0]=3 34 B9R1.35 O=C(Cl)C1=CC=C(Br)O1 10452 [1,0,0,0,0,0|1,2,0]=4 35 B9R1.35 O=C(Cl)C1=CC=C(Cl)S1 16132 [1,0,0,0,0,0|1,0,0]=2 36 B9R1.35 O=C(O)C1=CC(Br)=CS1 5189 [1,0,0,0,0,0|1,0,0]=2 37 B9R1.35 O=C(O)C1=CC(Br)=NO1 17690 [1,0,0,0,0,0|2,1,0]=4 38 B9R1.35 O=C(O)C1=CC(O)=NO1 24875 [1,0,0,0,0,0|2,1,0]=4 39 B9R1.35 O=C(O)C1=CC=C(Br)S1 7368 [1,0,0,0,0,0|0,1,0]=2 40 B9R1.35 O=C(O)C1=CC=C(Cl)O1 31597 [1,0,0,0,0,0|0,1,0]=2 41 B9R1.35 O=C(O)C1=CC=C(Cl)S1 7380 [1,0,0,0,0,0|0,0,0]=1 42 B9R1.35 O=C(O)C1=CN=C(Br)S1 15963 [1,0,0,0,0,0|1,1,0]=3 43 B9R1.35 O=C(O)C1=CN=C(Cl)S1 32212 [1,0,0,0,0,0|1,0,0]=2 44 B9R1.35 O=C(O)C1=CSC(Br)=N1 22900 [1,0,0,0,0,0|2,1,0]=4 45 B9R1.35 O=C(O)C1=NNC(Cl)=C1 23727 [1,0,0,0,0,0|3,0,0]=4 46 B9R1.35 O=[N+]([O-])C1=CC=C(Br)S1 5283 [1,0,0,0,0,0|1,1,1]=4 47 B9R1.35 O=[N+]([O-])C1=CN=C(Cl)S1 34145 [1,0,0,0,0,0|2,0,1]=4 48 B9R1.35 OB(O)C1=CC(Br)=CS1 1764 [1,0,0,0,0,0|2,0,1]=4 49 B9R1.35 OB(O)C1=CC=C(Br)S1 7360 [1,0,0,0,0,0|1,1,1]=4 50 B9R1.35 OB(O)C1=CC=C(Cl)S1 1799 [1,0,0,0,0,0|1,0,1]=3 51 B11R1.79 NS(=O)(=O)C1=CC(Cl)=C(Cl)S1 13551 [0,1,0,0,0,0|2,0,1]=4 52 B11R1.79 O=S(=O)(Cl)C1=CC(Br)=C(Cl)S1 5475 [0,1,0,0,0,0|2,0,1]=4 53 B11R1.79 O=S(=O)(Cl)C1=CC(Cl)=C(Cl)S1 5523 [0,1,0,0,0,0|2,0,1]=4 54 B11R1.226 COC(=O)C1=CC(N)=C(N)S1 19423 [0,1,0,0,0,0|2,0,0]=3 55 B11R1.21 CC(=O)C1=CC(Br)=C(C)C=C1 29264 [0,0,0,0,0,1|2,1,0]=4 56 B11R1.21 CC(=O)C1=CC(Br)=C(Cl)C=C1 29259 [0,0,0,0,0,1|3,0,0]=4 57 B11R1.21 CC(=O)C1=CC(C)=C(Br)C=C1 29265 [0,0,0,0,0,1|2,1,0]=4 58 B11R1.21 CC(=O)C1=CC(C)=C(Cl)C=C1 24740 [0,0,0,0,0,1|2,0,0]=3 59 B11R1.21 CC(=O)C1=CC(C)=C(F)C=C1 19762 [0,0,0,0,0,1|2,1,0]=4 60 B11R1.21 CC(=O)C1=CC(C)=C(O)C=C1 15346 [0,0,0,0,0,1|3,0,0]=4 61 B11R1.21 CC(=O)C1=CC(Cl)=C(Br)C=C1 31191 [0,0,0,0,0,1|3,0,0]=4 62 B11R1.21 CC(=O)C1=CC(Cl)=C(Cl)C=C1 3383 [0,0,0,0,0,1|3,0,0]=4 63 B11R1.21 CC(=O)C1=CC(Cl)=C(F)C=C1 4202 [0,0,0,0,0,1|3,0,0]=4 64 B11R1.21 CC(=O)C1=CC(Cl)=C(N)C=C1 19715 [0,0,0,0,0,1|3,0,0]=4 65 B11R1.21 CC(=O)C1=CC(Cl)=C(O)C=C1 29271 [0,0,0,0,0,1|3,0,0]=4 66 B11R1.21 CC(=O)C1=CC(F)=C(C)C=C1 29155 [0,0,0,0,0,1|2,1,0]=4 67 B11R1.21 CC(=O)C1=CC(F)=C(Cl)C=C1 28237 [0,0,0,0,0,1|3,0,0]=4 68 B11R1.21 CC(=O)C1=CC(O)=C(C)C=C1 31188 [0,0,0,0,0,1|3,0,0]=4 69 B11R1.21 CC(=O)c1ccc(C)c(O)c1 24105 [0,0,0,0,0,1|3,0,0]=4 70 B11R1.21 CC(=O)c1ccc(Cl)c(N)c1 27504 [0,0,0,0,0,1|3,0,0]=4 71 B11R1.21 CC1=C(Br)C=C(C(=O)O)C=C1 3806 [0,0,0,0,0,1|1,1,0]=3 72 B11R1.21 CC1=C(Br)C=CC(C(=O)O)=C1 3807 [0,0,0,0,0,1|1,1,0]=3 73 B11R1.21 CC1=C(Br)C=CC(C(N)=O)=C1 3804 [0,0,0,0,0,1|2,1,0]=4 74 B11R1.21 CC1=C(C)C=C(C(=O)O)C=C1 14893 [0,0,0,0,0,1|2,0,0]=3 75 B11R1.21 CC1=C(Cl)C=C(B(O)O)C=C1 5132 [0,0,0,0,0,1|2,0,1]=4 76 B11R1.21 CC1=C(Cl)C=C(C(=O)O)C=C1 4569 [0,0,0,0,0,1|1,0,0]=2 77 B11R1.21 CC1=C(Cl)C=C([N+](=O)[O-])C=C1 15208 [0,0,0,0,0,1|2,0,1]=4 78 B11R1.21 CC1=C(Cl)C=CC(B(O)O)=C1 29622 [0,0,0,0,0,1|2,0,1]=4 79 B11R1.21 CC1=C(Cl)C=CC(C(=O)Cl)=C1 28594 [0,0,0,0,0,1|2,0,0]=3 80 B11R1.21 CC1=C(Cl)C=CC(C(=O)Cl)=C1 30641 [0,0,0,0,0,1|2,0,0]=3 81 B11R1.21 CC1=C(Cl)C=CC(C(=O)O)=C1 3666 [0,0,0,0,0,1|1,0,0]=2 82 B11R1.21 CC1=C(Cl)C=CC([N+](=O)[O-])=C1 2137 [0,0,0,0,0,1|2,0,1]=4 83 B11R1.21 CC1=C(F)C=C(C(=O)O)C=C1 1330 [0,0,0,0,0,1|1,1,0]=3 84 B11R1.21 CC1=C(F)C=CC(C(=O)Cl)=C1 25412 [0,0,0,0,0,1|2,1,0]=4 85 B11R1.21 CC1=C(F)C=CC(C(=O)O)=C1 1397 [0,0,0,0,0,1|1,1,0]=3 86 B11R1.21 CC1=C(I)C=C(C(=O)Cl)C=C1 28676 [0,0,0,0,0,1|2,1,0]=4 87 B11R1.21 CC1=C(I)C=C(C(=O)O)C=C1 3947 [0,0,0,0,0,1|1,1,0]=3 88 B11R1.21 CC1=C(I)C=CC(C(=O)O)=C1 3948 [0,0,0,0,0,1|1,1,0]=3 89 B11R1.21 CC1=C(N)C=C(C(=O)O)C=C1 8194 [0,0,0,0,0,1|2,0,0]=3 90 B11R1.21 CC1=C(N)C=C(C(N)=O)C=C1 35463 [0,0,0,0,0,1|3,0,0]=4 91 B11R1.21 CC1=C(N)C=CC(C(=O)O)=C1 2067 [0,0,0,0,0,1|2,0,0]=3 92 B11R1.21 CC1=C(O)C=C(C(=O)O)C=C1 3890 [0,0,0,0,0,1|2,0,0]=3 93 B11R1.21 CC1=C(O)C=CC(C(=O)O)=C1 20044 [0,0,0,0,0,1|2,0,0]=3 94 B11R1.21 CC1=CC(B(O)O)=CN=C1Cl 5208 [0,0,0,0,0,1|2,0,1]=4 95 B11R1.21 CC1=CC(C(=O)O)=CN=C1F 5143 [0,0,0,0,0,1|1,1,0]=3 96 B11R1.21 CC1=CC([N+](=O)[O-])=CN=C1Cl 10621 [0,0,0,0,0,1|2,0,1]=4 97 B11R1.21 CC1=CN=C(C(=O)O)C=[N+]1[O-] 8885 [0,0,0,0,0,1|3,0,0]=4 98 B11R1.21 NC(=O)C1=CC(Cl)=C(Cl)C=C1 3462 [0,0,0,0,0,1|3,0,0]=4 99 B11R1.21 NC(=O)C1=CC(N)=C(Cl)C=C1 35464 [0,0,0,0,0,1|3,0,0]=4 100 B11R1.21 NC1=C(Br)C=C(C(=O)O)C=C1 3130 [0,0,0,0,0,1|2,1,0]=4 101 B11R1.21 NC1=C(Cl)C=CC(C(=O)O)=C1 8988 [0,0,0,0,0,1|2,0,0]=3 102 B11R1.21 NC1=C(F)C=C(C(=O)O)C=C1 3524 [0,0,0,0,0,1|2,1,0]=4 103 B11R1.21 NC1=C(F)C=CC(C(=O)O)=C1 4690 [0,0,0,0,0,1|2,1,0]=4 104 B11R1.21 NC1=C(I)C=C(C(=O)O)C=C1 14046 [0,0,0,0,0,1|2,1,0]=4 105 B11R1.21 NC1=C(N)C=C(C(=O)O)C=C1 29055 [0,0,0,0,0,1|3,0,0]=4 106 B11R1.21 NC1=C(O)C=C(C(=O)O)C=C1 14418 [0,0,0,0,0,1|3,0,0]=4 107 B11R1.21 NC1=C(O)C=CC(C(=O)O)=C1 20504 [0,0,0,0,0,1|3,0,0]=4 108 B11R1.21 Nc1ccc(C(=O)O)cc1Cl 4652 [0,0,0,0,0,1|2,0,0]=3 109 B11R1.21 O=C(Cl)C1=CC(Cl)=C(Cl)C=C1 26090 [0,0,0,0,0,1|3,0,0]=4 110 B11R1.21 O=C(Cl)C1=CC(F)=C(Cl)C=C1 28589 [0,0,0,0,0,1|3,0,0]=4 111 B11R1.21 O=C(O)C1=CC(Br)=C(Br)C=C1 28612 [0,0,0,0,0,1|2,1,0]=4 112 B11R1.21 O=C(O)C1=CC(Br)=C(Cl)C=C1 3585 [0,0,0,0,0,1|2,0,0]=3 113 B11R1.21 O=C(O)C1=CC(Br)=C(F)C=C1 1320 [0,0,0,0,0,1|2,1,0]=4 114 B11R1.21 O=C(O)C1=CC(Br)=C(I)C=C1 25903 [0,0,0,0,0,1|2,1,0]=4 115 B11R1.21 O=C(O)C1=CC(Br)=C(O)N=C1 9825 [0,0,0,0,0,1|2,1,0]=4 116 B11R1.21 O=C(O)C1=CC(Cl)=C(Br)C=C1 24806 [0,0,0,0,0,1|2,0,0]=3 117 B11R1.21 O=C(O)C1=CC(Cl)=C(Cl)C=C1 3686 [0,0,0,0,0,1|2,0,0]=3 118 B11R1.21 O=C(O)C1=CC(Cl)=C(F)C=C1 1334 [0,0,0,0,0,1|2,0,0]=3 119 B11R1.21 O=C(O)C1=CC(Cl)=C(O)C=C1 13038 [0,0,0,0,0,1|2,0,0]=3 120 B11R1.21 O=C(O)C1=CC(F)=C(Br)C=C1 1316 [0,0,0,0,0,1|2,1,0]=4 121 B11R1.21 O=C(O)C1=CC(F)=C(Cl)C=C1 1333 [0,0,0,0,0,1|2,0,0]=3 122 B11R1.21 O=C(O)C1=CC(F)=C(F)C=C1 1337 [0,0,0,0,0,1|2,1,0]=4 123 B11R1.21 O=C(O)C1=CC(F)=C(F)C=C1 29708 [0,0,0,0,0,1|2,1,0]=4 124 B11R1.21 O=C(O)C1=CC(F)=C(I)C=C1 1388 [0,0,0,0,0,1|2,1,0]=4 125 B11R1.21 O=C(O)C1=CC(F)=C(O)C=C1 2271 [0,0,0,0,0,1|2,1,0]=4 126 B11R1.21 O=C(O)C1=CC(I)=C(Br)C=C1 28092 [0,0,0,0,0,1|2,1,0]=4 127 B11R1.21 O=C(O)C1=CC(I)=C(Cl)C=C1 12500 [0,0,0,0,0,1|2,0,0]=3 128 B11R1.21 O=C(O)C1=CC(I)=C(F)C=C1 1390 [0,0,0,0,0,1|2,1,0]=4 129 B11R1.21 O=C(O)C1=CC(I)=C(I)C=C1 28093 [0,0,0,0,0,1|2,1,0]=4 130 B11R1.21 O=C(O)C1=CC(I)=C(O)C=C1 32382 [0,0,0,0,0,1|2,1,0]=4 131 B11R1.21 O=C(O)C1=CC(O)=C(Br)C=C1 17671 [0,0,0,0,0,1|2,1,0]=4 132 B11R1.21 O=C(O)C1=CC(O)=C(Cl)C=C1 14051 [0,0,0,0,0,1|2,0,0]=3 133 B11R1.21 O=C(O)C1=CC(O)=C(F)C=C1 3494 [0,0,0,0,0,1|2,1,0]=4 134 B11R1.21 O=C(O)C1=CC(O)=C(I)C=C1 28669 [0,0,0,0,0,1|2,1,0]=4 135 B11R1.21 O=C(O)C1=CC(O)=C(I)N=C1 18329 [0,0,0,0,0,1|2,1,0]=4 136 B11R1.21 O=C(O)C1=CC(O)=C(O)C=C1 9738 [0,0,0,0,0,1|3,0,0]=4 137 B11R1.21 O=C(O)C1=CC=C(Br)C(Br)=N1 29226 [0,0,0,0,0,1|2,1,0]=4 138 B11R1.21 O=C(O)C1=CC=C(Br)C(Cl)=N1 29224 [0,0,0,0,0,1|2,0,0]=3 139 B11R1.21 O=C(O)C1=CC=C(Cl)C(Cl)=N1 29225 [0,0,0,0,0,1|2,0,0]=3 140 B11R1.21 O=C(O)C1=CC=C(F)C(Cl)=N1 29097 [0,0,0,0,0,1|2,0,0]=3 141 B11R1.21 O=C(O)C1=CN=C(Br)C(Br)=C1 17514 [0,0,0,0,0,1|2,1,0]=4 142 B11R1.21 O=C(O)C1=CN=C(Br)C(F)=C1 24637 [0,0,0,0,0,1|2,1,0]=4 143 B11R1.21 O=C(O)C1=CN=C(Cl)C(Br)=C1 12922 [0,0,0,0,0,1|2,0,0]=3 144 B11R1.21 O=C(O)C1=CN=C(Cl)C(Cl)=C1 12968 [0,0,0,0,0,1|2,0,0]=3 145 B11R1.21 O=C(O)C1=CN=C(Cl)C(Cl)=C1 29238 [0,0,0,0,0,1|2,0,0]=3 146 B11R1.21 O=C(O)C1=CN=C(Cl)C(F)=C1 24638 [0,0,0,0,0,1|2,0,0]=3 147 B11R1.21 O=C(O)C1=CN=C(F)C(Br)=C1 21829 [0,0,0,0,0,1|2,1,0]=4 148 B11R1.21 O=C(O)C1=CN=C(F)C(Cl)=C1 36069 [0,0,0,0,0,1|2,0,0]=3 149 B11R1.21 O=C(O)C1=CN=C(F)C(F)=C1 18429 [0,0,0,0,0,1|2,1,0]=4 150 B11R1.21 O=C(O)C1=CN=C(O)C(Cl)=C1 10618 [0,0,0,0,0,1|2,0,0]=3 151 B11R1.74 CC(=O)C1=CC(Br)=CC(C)=C1 31218 [0,0,0,0,0,1|2,1,0]=4 152 B11R1.74 CC(=O)C1=CC(C)=CC(C)=C1 24402 [0,0,0,0,0,1|3,0,0]=4 153 B11R1.74 CC(=O)C1=CC(Cl)=CC(Cl)=C1 3389 [0,0,0,0,0,1|3,0,0]=4 154 B11R1.74 CC(=O)c1cc(Cl)cc(Br)c1 23803 [0,0,0,0,0,1|3,0,0]=4 155 B11R1.74 CC(=O)c1cc(F)cc(Cl)c1 28236 [0,0,0,0,0,1|3,0,0]=4 156 B11R1.74 CC1=CC(B(O)O)=CC(Cl)=C1 33851 [0,0,0,0,0,1|2,0,1]=4 157 B11R1.74 CC1=CC(C(=O)O)=CC(Br)=C1 30472 [0,0,0,0,0,1|1,1,0]=3 158 B11R1.74 CC1=CC(C(=O)O)=CC(C)=N1 14397 [0,0,0,0,0,1|2,0,0]=3 159 B11R1.74 CC1=CC(C(=O)O)=CC(Cl)=N1 17665 [0,0,0,0,0,1|1,0,0]=2 160 B11R1.74 CC1=CC(C(=O)O)=CC(F)=C1 1396 [0,0,0,0,0,1|1,1,0]=3 161 B11R1.74 CC1=CC(C(=O)O)=CC(O)=C1 18175 [0,0,0,0,0,1|2,0,0]=3 162 B11R1.74 CC1=CC(C)=CC(C(=O)Cl)=C1 15465 [0,0,0,0,0,1|3,0,0]=4 163 B11R1.74 CC1=CC(C)=CC(C(=O)O)=C1 15440 [0,0,0,0,0,1|2,0,0]=3 164 B11R1.74 CC1=CC(Cl)=CC([N+](=O)[O-])=C1 28981 [0,0,0,0,0,1|2,0,1]=4 165 B11R1.74 CC1=CC(Cl)=CC([N+](=O)[O-])=C1 31558 [0,0,0,0,0,1|2,0,1]=4 166 B11R1.74 CC1=CC(N)=CC(C(=O)O)=C1 4979 [0,0,0,0,0,1|2,0,0]=3 167 B11R1.74 CC1=NC(=O)C=C(C(=O)O)N1 32234 [0,0,0,0,0,1|3,0,0]=4 168 B11R1.74 NC1=CC(Br)=CC(C(=O)O)=C1 30637 [0,0,0,0,0,1|2,1,0]=4 169 B11R1.74 NC1=CC(C(=O)O)=CC(O)=C1 32194 [0,0,0,0,0,1|3,0,0]=4 170 B11R1.74 NC1=CC(Cl)=CC(C(=O)O)=C1 10455 [0,0,0,0,0,1|2,0,0]=3 171 B11R1.74 NC1=CC(F)=CC(C(=O)O)=C1 28526 [0,0,0,0,0,1|2,1,0]=4 172 B11R1.74 NC1=CC(N)=CC(C(=O)O)=C1 21025 [0,0,0,0,0,1|3,0,0]=4 173 B11R1.74 NC1=CC(O)=CC(C(=O)O)=C1 17213 [0,0,0,0,0,1|3,0,0]=4 174 B11R1.74 O=C(Cl)C1=CC(Cl)=CC(Cl)=C1 10805 [0,0,0,0,0,1|3,0,0]=4 175 B11R1.74 O=C(O)C1=CC(Br)=CC(Br)=C1 3861 [0,0,0,0,0,1|2,1,0]=4 176 B11R1.74 O=C(O)C1=CC(Br)=CC(Cl)=C1 13461 [0,0,0,0,0,1|2,0,0]=3 177 B11R1.74 O=C(O)C1=CC(Br)=CC(F)=C1 2154 [0,0,0,0,0,1|2,1,0]=4 178 B11R1.74 O=C(O)C1=CC(Br)=CC(I)=C1 3788 [0,0,0,0,0,1|2,1,0]=4 179 B11R1.74 O=C(O)C1=CC(Br)=CC(O)=C1 27678 [0,0,0,0,0,1|2,1,0]=4 180 B11R1.74 O=C(O)C1=CC(Br)=NC(Br)=C1 11161 [0,0,0,0,0,1|2,1,0]=4 181 B11R1.74 O=C(O)C1=CC(Cl)=CC(Cl)=C1 28613 [0,0,0,0,0,1|2,0,0]=3 182 B11R1.74 O=C(O)C1=CC(Cl)=CC(F)=C1 1373 [0,0,0,0,0,1|2,0,0]=3 183 B11R1.74 O=C(O)C1=CC(Cl)=CC(I)=C1 3650 [0,0,0,0,0,1|2,0,0]=3 184 B11R1.74 O=C(O)C1=CC(Cl)=CC(O)=C1 30474 [0,0,0,0,0,1|2,0,0]=3 185 B11R1.74 O=C(O)C1=CC(Cl)=NC(Cl)=C1 9235 [0,0,0,0,0,1|2,0,0]=3 186 B11R1.74 O=C(O)C1=CC(F)=CC(F)=C1 2173 [0,0,0,0,0,1|2,1,0]=4 187 B11R1.74 O=C(O)C1=CC(F)=CC(I)=C1 28646 [0,0,0,0,0,1|2,1,0]=4 188 B11R1.74 O=C(O)C1=CC(F)=CC(O)=C1 30475 [0,0,0,0,0,1|2,1,0]=4 189 B11R1.74 O=C(O)C1=CC(F)=NC(F)=C1 14394 [0,0,0,0,0,1|2,1,0]=4 190 B11R1.74 O=C(O)C1=CC(I)=CC(I)=C1 3839 [0,0,0,0,0,1|2,1,0]=4 191 B11R1.74 O=C(O)C1=CC(O)=CC(I)=C1 17219 [0,0,0,0,0,1|2,1,0]=4 192 B11R1.74 O=C(O)C1=CC(O)=CC(O)=C1 9162 [0,0,0,0,0,1|3,0,0]=4 193 B11R1.74 O=C(O)C1=CC(O)=NC(O)=C1 36058 [0,0,0,0,0,1|3,0,0]=4 194 B11R1.74 O=C(O)C1=NC(Br)=CC(Br)=C1 33329 [0,0,0,0,0,1|2,1,0]=4 195 B11R1.74 O=C(O)C1=NC(Br)=CC(Cl)=C1 33330 [0,0,0,0,0,1|2,1,0]=4 196 B11R1.74 O=C(O)C1=NC(Cl)=CC(Br)=C1 33328 [0,0,0,0,0,1|2,0,0]=3 197 B11R1.74 O=C(O)C1=NC(Cl)=CC(Cl)=N1 22101 [0,0,0,0,0,1|3,0,0]=4 198 B11R1.74 O=C(O)C1=NC(Cl)=NC(Cl)=C1 36034 [0,0,0,0,0,1|2,0,0]=3 199 B11R1.74 O=C1C=C(C(=O)O)NC(=O)N1 22281 [0,0,0,0,0,1|3,0,0]=4 200 B8R1.1 C#CC1=CC=C(Cl)S1 33779 [2,0,0,0,0,0|1,0,1]=4 201 B8R1.1 CC1=CC(C=O)=CS1 34688 [2,0,0,0,0,0|2,0,0]=4 202 B8R1.1 CC1=CC(C=O)=NO1 11024 [2,0,0,0,0,0|2,0,0]=4 203 B8R1.1 CC1=CC=C(C=O)O1 9971 [2,0,0,0,0,0|1,1,0]=4 204 B8R1.1 CC1=CC=C(C=O)S1 5205 [2,0,0,0,0,0|1,0,0]=3 205 B8R1.1 CC1=CSC(C#N)=C1 21327 [2,0,0,0,0,0|1,0,1]=4 206 B8R1.1 CC1=CSC(C=O)=N1 15253 [2,0,0,0,0,0|1,0,0]=3 207 B8R1.1 CC1=NNC(C=O)=C1 24109 [2,0,0,0,0,0|2,0,0]=4 208 B8R1.1 NC1=NC=C(C=O)S1 8904 [2,0,0,0,0,0|2,0,0]=4 209 B8R1.1 O=CC1=CC(Br)=CO1 3545 [2,0,0,0,0,0|1,1,0]=4 210 B8R1.1 O=CC1=CC(Br)=CS1 5188 [2,0,0,0,0,0|1,0,0]=3 211 B8R1.1 O=CC1=CC=C(Br)O1 27066 [2,0,0,0,0,0|0,2,0]=4 212 B8R1.1 O=CC1=CC=C(Br)S1 10834 [2,0,0,0,0,0|0,1,0]=3 213 B8R1.1 O=CC1=CC=C(Br)S1 16744 [2,0,0,0,0,0|0,1,0]=3 214 B8R1.1 O=CC1=CC=C(Cl)S1 7742 [2,0,0,0,0,0|0,0,0]=2 215 B8R1.1 O=CC1=CN=C(Br)S1 21412 [2,0,0,0,0,0|1,1,0]=4 216 B8R1.1 O=CC1=CN=C(Cl)S1 24698 [2,0,0,0,0,0|1,0,0]=3 217 B8R1.18 CC1=C(Br)SC(Br)=C1 33363 [2,0,0,0,0,0|1,1,0]=4 218 B8R1.18 CC1=C(Cl)SC(Br)=C1 33534 [2,0,0,0,0,0|1,0,0]=3 219 B8R1.18 CC1=C(Cl)SC(Cl)=C1 5195 [2,0,0,0,0,0|1,0,0]=3 220 B8R1.18 CC1=CC(=O)OC1=O 35240 [2,0,0,0,0,0|1,1,0]=4 221 B8R1.7 CC(=O)C1=CC=CN1 20915 [2,0,0,0,0,0|2,0,0]=4 222 B8R1.7 CC(=O)C1=CC=CO1 6939 [2,0,0,0,0,0|1,1,0]=4 223 B8R1.7 CC(=O)C1=CC=CS1 5172 [2,0,0,0,0,0|1,0,0]=3 224 B8R1.7 CC(=O)C1=NC=CS1 9940 [2,0,0,0,0,0|2,0,0]=4 225 B8R1.7 NC(=S)C1=CC=CS1 32072 [2,0,0,0,0,0|1,1,0]=4 226 B8R1.7 O=C(Cl)C1=CC=CO1 19997 [2,0,0,0,0,0|1,1,0]=4 227 B8R1.7 O=C(Cl)C1=CC=CS1 5166 [2,0,0,0,0,0|1,0,0]=3 228 B8R1.7 O=C(O)C1=CC=CN1 15698 [2,0,0,0,0,0|1,0,0]=3 229 B8R1.7 O=C(O)C1=CC=CO1 6946 [2,0,0,0,0,0|0,1,0]=3 230 B8R1.7 O=C(O)C1=CC=CS1 5157 [2,0,0,0,0,0|0,0,0]=2 231 B8R1.7 O=C(O)C1=CC=NN1 12935 [2,0,0,0,0,0|2,0,0]=4 232 B8R1.7 O=C(O)C1=CC=NN1 35926 [2,0,0,0,0,0|2,0,0]=4 233 B8R1.7 O=C(O)C1=CC=NO1 8643 [2,0,0,0,0,0|1,1,0]=4 234 B8R1.7 O=C(O)C1=CC=NS1 30427 [2,0,0,0,0,0|1,0,0]=3 235 B8R1.7 O=C(O)C1=CN=CN1 9003 [2,0,0,0,0,0|2,0,0]=4 236 B8R1.7 O=C(O)C1=CN=CS1 14533 [2,0,0,0,0,0|1,0,0]=3 237 B8R1.7 O=C(O)C1=CNC=C1 8345 [2,0,0,0,0,0|2,0,0]=4 238 B8R1.7 O=C(O)C1=COC=C1 6945 [2,0,0,0,0,0|2,0,0]=4 239 B8R1.7 O=C(O)C1=COC=N1 11025 [2,0,0,0,0,0|2,0,0]=4 240 B8R1.7 O=C(O)C1=CSC=C1 7735 [2,0,0,0,0,0|2,0,0]=4 241 B8R1.7 O=C(O)C1=CSC=N1 35764 [2,0,0,0,0,0|2,0,0]=4 242 B8R1.7 O=C(O)C1=NC=CN1 25373 [2,0,0,0,0,0|2,0,0]=4 243 B8R1.7 O=C(O)C1=NC=CS1 16257 [2,0,0,0,0,0|1,0,0]=3 244 B8R1.7 O=C(O)C1=NN=CS1 18394 [2,0,0,0,0,0|2,0,0]=4 245 B8R1.7 O=C(O)C1=NOC=C1 12341 [2,0,0,0,0,0|2,0,0]=4 246 B8R1.7 O=C(O)C1=NSC=C1 22100 [2,0,0,0,0,0|2,0,0]=4 247 B8R1.7 O=C(O)[C-]1C=CC=C1 10724 [2,0,0,0,0,0|1,0,1]=4 248 B8R1.7 O=C([O-])C1=CC=CS1 32366 [2,0,0,0,0,0|0,0,1]=3 249 B8R1.7 O=[N+]([O-])C1=CC=CS1 5570 [2,0,0,0,0,0|1,0,1]=4 250 B8R1.7 OB(O)C1=CC=CS1 1883 [2,0,0,0,0,0|1,0,1]=4 251 B10R1.14 COC(=O)C1=CC(Br)=CN1 13045 [1,1,0,0,0,0|2,0,0]=4 252 B10R1.14 COC(=O)C1=CC=C(Cl)S1 27226 [1,1,0,0,0,0|0,0,0]=2 253 B10R1.14 COC(=O)C1=CC=C(N)S1 15670 [1,1,0,0,0,0|1,0,0]=3 254 B10R1.14 COC(=O)C1=CN(C)C=C1 25789 [1,1,0,0,0,0|2,0,0]=4 255 B10R1.14 COC(=O)C1=CN(C)C=N1 9002 [1,1,0,0,0,0|2,0,0]=4 256 B10R1.14 COC(=O)C1=CN=C(Br)S1 17197 [1,1,0,0,0,0|1,1,0]=4 257 B10R1.14 COC(=O)C1=CN=C(N)S1 23603 [1,1,0,0,0,0|2,0,0]=4 258 B10R1.14 COC(=O)C1=NC(C)=CS1 17196 [1,1,0,0,0,0|1,0,0]=3 259 B10R1.14 COC(=O)C1=NC=C(C)S1 23005 [1,1,0,0,0,0|2,0,0]=4 260 B10R1.14 NNC(=O)C1=CC=C(Br)S1 16117 [1,1,0,0,0,0|1,1,0]=4 261 B10R1.14 NNC(=O)C1=CC=C(Cl)S1 16134 [1,1,0,0,0,0|1,0,0]=3 262 B10R1.14 O=C(CCl)C1=CC=C(Br)S1 5287 [1,1,0,0,0,0|1,1,0]=4 263 B10R1.14 O=CC(=O)c1ccc(Br)s1 12313 [1,1,0,0,0,0|0,1,1]=4 264 B10R1.31 CCC1=CC(C(=O)O)=NO1 22635 [1,1,0,0,0,0|2,0,0]=4 265 B10R1.31 CSC1=CC=C(C(=O)O)S1 36164 [1,1,0,0,0,0|1,0,0]=3 266 B10R1.55 NS(=O)(=O)C1=CC=C(Cl)S1 7381 [1,1,0,0,0,0|1,0,1]=4 267 B10R1.55 O=S(=O)(Cl)C1=CC=C(Cl)S1 5496 [1,1,0,0,0,0|1,0,1]=4 268 B10R1.59 CC1=C(C(=O)O)SC(Br)=C1 10101 [1,1,0,0,0,0|0,1,0]=3 269 B10R1.59 CC1=C(C(=O)O)SC(Br)=N1 23205 [1,1,0,0,0,0|1,1,0]=4 270 B10R1.59 CC1=CC(C(=O)O)=C(Cl)S1 7740 [1,1,0,0,0,0|2,0,0]=4 271 B10R1.59 CC1=CC(C)=C(C(=O)O)N1 23985 [1,1,0,0,0,0|2,0,0]=4 272 B10R1.59 CC1=NC(C)=C(C(=O)O)S1 33408 [1,1,0,0,0,0|2,0,0]=4 273 B10R1.59 CC1=NN(C)C(C(=O)O)=C1 7839 [1,1,0,0,0,0|2,0,0]=4 274 B10R1.59 O=C(O)C1=C(Cl)N=C(Cl)S1 22346 [1,1,0,0,0,0|1,0,0]=3 275 B10R1.194 CC1=C(C(=O)Cl)SC=C1Br 5266 [1,1,0,0,0,0|2,0,0]=4 276 B10R1.194 CC1=C(C(=O)O)SC=C1Br 5272 [1,1,0,0,0,0|1,0,0]=3 277 B10R1.194 CC1=C(C)C(C(=O)O)=NO1 24640 [1,1,0,0,0,0|2,0,0]=4 278 B10R1.194 CN1C(Br)=CC=C1C(=O)O 35544 [1,1,0,0,0,0|1,1,0]=4 279 B12R1.48 CC1=C(C#N)C=CC(C(=O)O)=C1 14420 [0,1,0,0,0,1|2,0,0]=4 280 B12R1.48 CC1=C(C=O)C=CC(C(=O)O)=C1 30642 [0,1,0,0,0,1|2,0,0]=4 281 B12R1.48 COC1=C(Br)C=C(C(=O)O)C=C1 2675 [0,1,0,0,0,1|1,1,0]=4 282 B12R1.48 COC1=C(Cl)C=C(C(C)=O)C=C1 16367 [0,1,0,0,0,1|2,0,0]=4 283 B12R1.48 COC1=C(F)C=C(C(=O)O)C=C1 1393 [0,1,0,0,0,1|1,1,0]=4 284 B12R1.48 COC1=C(I)C=C(C(=O)O)C=C1 4973 [0,1,0,0,0,1|1,1,0]=4 285 B12R1.48 COC1=C(N)C=C(C(=O)O)C=C1 2032 [0,1,0,0,0,1|2,0,0]=4 286 B12R1.48 COC1=C(O)C=C(C(=O)O)C=C1 19741 [0,1,0,0,0,1|2,0,0]=4 287 B12R1.48 COC1=NC=C(C(=O)O)C=C1Cl 15239 [0,1,0,0,0,1|1,0,0]=3 288 B12R1.48 COc1ccc(C(=O)O)cc1Cl 19130 [0,1,0,0,0,1|1,0,0]=3 289 B12R1.48 O=CC1=C(Cl)C=C(C(=O)O)C=C1 30603 [0,1,0,0,0,1|1,0,1]=4 290 B12R1.56 C#CC1=C(C)C=CC(C(=O)O)=C1 26789 [0,1,0,0,0,1|2,0,0]=4 291 B12R1.56 CC1=C(C=O)C=C(C(=O)O)C=C1 30639 [0,1,0,0,0,1|2,0,0]=4 292 B12R1.56 CCC1=C(F)C=CC(C(=O)O)=C1 25823 [0,1,0,0,0,1|1,1,0]=4 293 B12R1.56 CCC1=C(N)C=CC(C(=O)O)=C1 28522 [0,1,0,0,0,1|2,0,0]=4 294 B12R1.56 COC1=C(Br)C=CC(C(=O)O)=C1 24786 [0,1,0,0,0,1|1,1,0]=4 295 B12R1.56 COC1=C(C)C=CC(C(=O)O)=C1 2672 [0,1,0,0,0,1|2,0,0]=4 296 B12R1.56 COC1=C(Cl)C=CC(C(=O)O)=C1 4565 [0,1,0,0,0,1|1,0,0]=3 297 B12R1.56 COC1=C(F)C=CC(C(=O)O)=C1 1394 [0,1,0,0,0,1|1,1,0]=4 298 B12R1.56 COC1=C(N)C=CC(C(=O)O)=C1 3131 [0,1,0,0,0,1|2,0,0]=4 299 B12R1.56 COC1=C(O)C=CC(C(=O)O)=C1 19485 [0,1,0,0,0,1|2,0,0]=4 300 B12R1.56 COC1=CC(C(=O)O)=CNC1=O 26785 [0,1,0,0,0,1|2,0,0]=4 301 B12R1.232 CC(=O)C1=C(F)C=C(C)C(Cl)=C1 31201 [0,1,0,0,0,1|2,0,0]=4 302 B12R1.232 CC1=CC(Br)=C(C(=O)O)C=C1F 1364 [0,1,0,0,0,1|1,1,0]=4 303 B12R1.232 CC1=CC(C(=O)O)=C(Br)C=C1F 1362 [0,1,0,0,0,1|1,1,0]=4 304 B12R1.232 CC1=CC(C(=O)O)=C(F)C=C1Br 1365 [0,1,0,0,0,1|1,1,0]=4 305 B12R1.232 CC1=CC(C(=O)O)=C(F)C=C1F 8228 [0,1,0,0,0,1|1,1,0]=4 306 B12R1.232 CC1=CC(C(=O)O)=C(N)C=C1Cl 15932 [0,1,0,0,0,1|1,0,0]=3 307 B12R1.232 CC1=CC(C)=C(C(=O)O)C=C1Br 27675 [0,1,0,0,0,1|1,1,0]=4 308 B12R1.232 CC1=CC(C)=C(C(=O)O)C=C1C 15442 [0,1,0,0,0,1|2,0,0]=4 309 B12R1.232 CC1=CC(Cl)=C(C(=O)O)C=C1Cl 30698 [0,1,0,0,0,1|1,0,0]=3 310 B12R1.232 CC1=CC(Cl)=C(C(=O)O)C=C1F 30543 [0,1,0,0,0,1|1,1,0]=4 311 B12R1.232 CC1=CC(F)=C(C(=O)O)C=C1Br 35901 [0,1,0,0,0,1|1,1,0]=4 312 B12R1.232 CC1=CC(F)=C(C(=O)O)C=C1Cl 23768 [0,1,0,0,0,1|1,0,0]=3 313 B12R1.232 CC1=CC(F)=C(C(=O)O)C=C1F 4944 [0,1,0,0,0,1|1,1,0]=4 314 B12R1.232 CC1=CC(F)=C(C(=O)O)C=C1O 28642 [0,1,0,0,0,1|2,0,0]=4 315 B12R1.232 CC1=CC(N)=C(C(=O)O)C=C1C 28519 [0,1,0,0,0,1|2,0,0]=4 316 B12R1.232 CC1=CC(O)=C(C(=O)O)C=C1I 28668 [0,1,0,0,0,1|1,1,0]=4 317 B12R1.232 NC1=C(C(=O)O)C=C(Cl)C(Br)=C1 19833 [0,1,0,0,0,1|2,0,0]=4 318 B12R1.232 NC1=C(C(=O)O)C=C(Cl)C(Cl)=C1 4657 [0,1,0,0,0,1|2,0,0]=4 319 B12R1.232 NC1=C(C(=O)O)C=C(F)C(Cl)=C1 30560 [0,1,0,0,0,1|2,0,0]=4 320 B12R1.232 NC1=CC(C(=O)O)=C(Cl)C=C1Cl 28514 [0,1,0,0,0,1|2,0,0]=4 321 B12R1.232 O=C(O)C1=C(Cl)C=C(Br)C(Cl)=C1 30480 [0,1,0,0,0,1|2,0,0]=4 322 B12R1.232 O=C(O)C1=C(Cl)C=C(Cl)C(F)=C1 1338 [0,1,0,0,0,1|2,0,0]=4 323 B12R1.232 O=C(O)C1=C(Cl)N=C(Cl)C(Cl)=C1 31953 [0,1,0,0,0,1|2,0,0]=4 324 B12R1.232 O=C(O)C1=C(Cl)N=C(Cl)C(F)=C1 10943 [0,1,0,0,0,1|2,0,0]=4 325 B12R1.232 O=C(O)C1=C(F)C=C(Cl)C(Br)=C1 3556 [0,1,0,0,0,1|2,0,0]=4 326 B12R1.232 O=C(O)C1=C(F)C=C(Cl)C(Cl)=C1 4615 [0,1,0,0,0,1|2,0,0]=4 327 B12R1.232 O=C(O)C1=C(F)C=C(Cl)C(F)=C1 1367 [0,1,0,0,0,1|2,0,0]=4 328 B12R1.232 O=C(O)C1=C(F)C=C(F)C(Cl)=C1 1343 [0,1,0,0,0,1|2,0,0]=4 329 B12R1.232 O=C(O)C1=C(O)C=C(F)C(Cl)=C1 30645 [0,1,0,0,0,1|2,0,0]=4 330 B12R1.367 COC(=O)C1=CC(Br)=C(C)C=C1 3967 [0,1,0,0,0,1|1,1,0]=4 331 B12R1.367 COC(=O)C1=CC(C)=C(Br)C=C1 3970 [0,1,0,0,0,1|1,1,0]=4 332 B12R1.367 COC(=O)C1=CC(C)=C(Cl)C=C1 3710 [0,1,0,0,0,1|1,0,0]=3 333 B12R1.367 COC(=O)C1=CC(C)=C(F)C=C1 18887 [0,1,0,0,0,1|1,1,0]=4 334 B12R1.367 COC(=O)C1=CC(C)=C(N)C=C1 2351 [0,1,0,0,0,1|2,0,0]=4 335 B12R1.367 COC(=O)C1=CC(C)=C(O)C=C1 30528 [0,1,0,0,0,1|2,0,0]=4 336 B12R1.367 COC(=O)C1=CC(Cl)=C(C)C=C1 10935 [0,1,0,0,0,1|1,0,0]=3 337 B12R1.367 COC(=O)C1=CC(Cl)=C(N)C=C1 10804 [0,1,0,0,0,1|2,0,0]=4 338 B12R1.367 COC(=O)C1=CC(Cl)=C(O)C=C1 30511 [0,1,0,0,0,1|2,0,0]=4 339 B12R1.367 COC(=O)C1=CC(F)=C(C)C=C1 16655 [0,1,0,0,0,1|1,1,0]=4 340 B12R1.367 COC(=O)C1=CC(I)=C(C)C=C1 30515 [0,1,0,0,0,1|1,1,0]=4 341 B12R1.367 COC(=O)C1=CC(N)=C(C)C=C1 10930 [0,1,0,0,0,1|2,0,0]=4 342 B12R1.367 COC(=O)C1=CC(N)=C(Cl)C=C1 26806 [0,1,0,0,0,1|2,0,0]=4 343 B12R1.367 COC(=O)C1=CC(O)=C(C)C=C1 13647 [0,1,0,0,0,1|2,0,0]=4 344 B12R1.367 COC(=O)C1=CN=C(Br)C(C)=C1 34764 [0,1,0,0,0,1|1,1,0]=4 345 B12R1.367 COC(=O)C1=CN=C(Cl)C(Br)=C1 12980 [0,1,0,0,0,1|2,0,0]=4 346 B12R1.367 COC(=O)C1=CN=C(Cl)C(F)=C1 24636 [0,1,0,0,0,1|2,0,0]=4 347 B12R1.367 COC(=O)C1=NC(C)=C(Cl)N=C1 24151 [0,1,0,0,0,1|2,0,0]=4 348 B12R1.367 O=C(CO)C1=CC(Cl)=C(Cl)C=C1 29277 [0,1,0,0,0,1|2,0,0]=4 349 B12R1.893 CC1=C(C)C(N)=C(C(=O)O)C=C1 4683 [0,1,0,0,0,1|2,0,0]=4 350 B12R1.893 CC1=C(F)C=CC(C(=O)O)=C1F 4943 [0,1,0,0,0,1|1,1,0]=4 351 B12R1.893 CC1=C(N)C=CC(C(=O)O)=C1C 28520 [0,1,0,0,0,1|2,0,0]=4 352 B12R1.893 NC1=C(C(=O)O)C=CC(Cl)=C1Cl 17205 [0,1,0,0,0,1|2,0,0]=4 353 B12R1.893 O=C(O)C1=C(Cl)C(Cl)=C(F)C=C1 4613 [0,1,0,0,0,1|2,0,0]=4 354 B12R1.893 O=C(O)C1=C(F)C(Cl)=C(F)C=C1 2217 [0,1,0,0,0,1|2,0,0]=4 355 B12R1.893 O=C(O)C1=C(F)C(F)=C(Cl)C=C1 4744 [0,1,0,0,0,1|2,0,0]=4 356 B12R1.1005 CC1=C(Br)C=C(C(=O)O)C=C1Br 3897 [0,1,0,0,0,1|1,1,0]=4 357 B12R1.1005 CC1=C(Br)C=C(C(=O)O)C=C1F 30471 [0,1,0,0,0,1|1,1,0]=4 358 B12R1.1005 CC1=C(Cl)C=C(C(=O)O)C=C1Cl 30468 [0,1,0,0,0,1|1,0,0]=3 359 B12R1.1005 CC1=C(F)C=C(C(=O)O)C=C1F 30540 [0,1,0,0,0,1|1,1,0]=4 360 B12R1.1005 CC1=C(F)C=C(C(=O)O)C=C1I 29115 [0,1,0,0,0,1|1,1,0]=4 361 B12R1.1005 CC1=C(F)C=C(C(=O)O)C=C1O 4755 [0,1,0,0,0,1|1,1,0]=4 362 B12R1.1005 CC1=C(N)C=C(C(=O)O)C=C1F 4694 [0,1,0,0,0,1|1,1,0]=4 363 B12R1.1005 CC1=C(O)C=C(C(=O)O)C=C1O 3868 [0,1,0,0,0,1|2,0,0]=4 364 B12R1.1005 CC1=CC(C(=O)O)=CC(C)=C1Br 28557 [0,1,0,0,0,1|1,1,0]=4 365 B12R1.1005 CC1=CC(C(=O)O)=CC(C)=C1N 24790 [0,1,0,0,0,1|2,0,0]=4 366 B12R1.1005 CC1=CC(C(=O)O)=CC(C)=C1O 16247 [0,1,0,0,0,1|2,0,0]=4 367 B12R1.1005 CC1=CC(C(=O)O)=CC(Cl)=C1N 13409 [0,1,0,0,0,1|2,0,0]=4 368 B12R1.1005 CC1=CC(C(=O)O)=CC(F)=C1F 28992 [0,1,0,0,0,1|1,1,0]=4 369 B12R1.1005 NC1=C(Cl)C(Cl)=CC(C(=O)O)=C1 17129 [0,1,0,0,0,1|2,0,0]=4 370 B12R1.1005 NC1=C(Cl)C=C(C(=O)O)C=C1Cl 14451 [0,1,0,0,0,1|2,0,0]=4 371 B12R1.1005 O=C(O)C1=CC(Br)=C(Cl)C(Cl)=C1 30751 [0,1,0,0,0,1|2,0,0]=4 372 B12R1.1005 O=C(O)C1=CC(Cl)=C(Cl)C(Cl)=C1 28693 [0,1,0,0,0,1|2,0,0]=4 373 B12R1.1005 O=C(O)C1=CC(Cl)=C(F)C(Cl)=C1 1378 [0,1,0,0,0,1|2,0,0]=4 374 B12R1.1005 O=C(O)C1=CC(Cl)=C(F)C(F)=C1 4741 [0,1,0,0,0,1|2,0,0]=4 375 B12R1.1005 O=C(O)C1=CC(Cl)=C(O)C(Cl)=C1 3689 [0,1,0,0,0,1|2,0,0]=4 376 B12R1.1005 O=C(O)C1=CC(Cl)=C(O)C(O)=C1 34859 [0,1,0,0,0,1|2,0,0]=4 377 B12R1.11 CC1=CC(C(=O)O)=CC(C#N)=C1 28607 [0,1,0,0,0,1|2,0,0]=4 378 B12R1.11 COC1=CC(C(=O)Cl)=CC(Cl)=N1 17742 [0,1,0,0,0,1|2,0,0]=4 379 B12R1.11 COC1=CC(C(=O)O)=CC(Br)=C1 16435 [0,1,0,0,0,1|1,1,0]=4 380 B12R1.11 COC1=CC(C(=O)O)=CC(Cl)=C1 14017 [0,1,0,0,0,1|1,0,0]=3 381 B12R1.11 COC1=CC(C(=O)O)=CC(F)=C1 45057 [0,1,0,0,0,1|1,1,0]=4 382 B12R1.11 COC1=CC(C(=O)O)=CC(F)=C1 45057 [0,1,0,0,0,1|1,1,0]=4 383 B12R1.11 COC1=CC(C(=O)O)=CC(I)=C1 27807 [0,1,0,0,0,1|1,1,0]=4 384 B12R1.11 COC1=CC(C(=O)O)=CC(N)=C1 27806 [0,1,0,0,0,1|2,0,0]=4 385 B12R1.11 COC1=CC(C)=CC(C(=O)O)=C1 25660 [0,1,0,0,0,1|2,0,0]=4 386 B12R1.358 COC(=O)C1=CC(Cl)=CC(C)=C1 16464 [0,1,0,0,0,1|1,0,0]=3 387 B12R1.358 COC(=O)C1=CC(Cl)=CC(O)=C1 29315 [0,1,0,0,0,1|2,0,0]=4 388 B12R1.358 COC(=O)C1=CC(Cl)=NC(C)=C1 17060 [0,1,0,0,0,1|1,0,0]=3 389 B12R1.358 COC(=O)C1=CC(Cl)=NC(Cl)=N1 23452 [0,1,0,0,0,1|2,0,0]=4 390 B12R1.358 COC(=O)C1=CC(N)=CC(Cl)=C1 30654 [0,1,0,0,0,1|2,0,0]=4 391 B12R1.358 COC(=O)c1cc(C)cc(Br)c1 30563 [0,1,0,0,0,1|1,1,0]=4 392 B12R1.511 CC1=CC(Br)=CC(C(=O)O)=C1F 30705 [0,1,0,0,0,1|1,1,0]=4 393 B12R1.511 CC1=CC(Br)=CC(C(=O)O)=C1O 4713 [0,1,0,0,0,1|1,1,0]=4 394 B12R1.511 CC1=CC(C(=O)O)=C(F)C(F)=C1 8224 [0,1,0,0,0,1|1,1,0]=4 395 B12R1.511 CC1=CC(C(=O)O)=C(N)C(C)=C1 4685 [0,1,0,0,0,1|2,0,0]=4 396 B12R1.511 CC1=CC(F)=CC(C(=O)O)=C1F 8237 [0,1,0,0,0,1|1,1,0]=4 397 B12R1.511 O=C(O)C1=C(F)C(Cl)=CC(Cl)=C1 28616 [0,1,0,0,0,1|2,0,0]=4 398 B12R1.511 O=C(O)C1=C(O)C(Cl)=CC(F)=C1 19395 [0,1,0,0,0,1|2,0,0]=4 399 B12R1.511 O=C(O)C1=CC(Cl)=CC(Cl)=C1O 28619 [0,1,0,0,0,1|2,0,0]=4 400 B10R1.113 CC1=CC(C(=O)O)=CC=C1 15435 [0,0,1,1,0,0|2,0,0]=4 401 B10R1.113 CC1=NC=CC(C(=O)O)=C1 13978 [0,0,1,1,0,0|2,0,0]=4 402 B10R1.113 O=C(O)C1=CC(Cl)=CC=C1 8991 [0,0,1,1,0,0|1,0,1]=4 403 B10R1.113 O=C(O)C1=CC(Cl)=NC=C1 2598 [0,0,1,1,0,0|2,0,0]=4 404 B10R1.113 O=C(O)C1=CC=CC(Cl)=N1 29232 [0,0,1,1,0,0|1,0,1]=4 405 B10R1.113 O=C(O)C1=CC=CC(Cl)=N1 9222 [0,0,1,1,0,0|1,0,1]=4 406 B10R1.113 O=C(O)C1=NC(Cl)=NC=C1 21879 [0,0,1,1,0,0|2,0,0]=4 407 B10R1.118 CC1=C(Cl)N=C(Cl)C(=O)O1 25367 [0,0,1,1,0,0|2,0,0]=4 408 B10R1.118 CC1=CC(S)=C(Cl)C=C1Cl 28394 [0,0,1,1,0,0|2,0,0]=4 409 B12R2.252 O=C(O)C1=CC2=C(SC=C2)S1 33366 [0,1,0,1,0,0|1,0,1]=4 410 B12R2.252 O=C(O)C1=CC2=CSC=C2S1 33367 [0,1,0,1,0,0|1,0,1]=4 411 B10R1.8 CC1=CC(C)=CC(C=O)=C1 15515 [1,0,0,0,0,1|2,0,0]=4 412 B10R1.8 CC1=CC(C=O)=CC(Br)=C1 16400 [1,0,0,0,0,1|1,1,0]=4 413 B10R1.8 CC1=CC(C=O)=CC(C)=N1 34215 [1,0,0,0,0,1|2,0,0]=4 414 B10R1.8 CC1=CC(C=O)=CC(Cl)=C1 17203 [1,0,0,0,0,1|1,0,0]=3 415 B10R1.8 CC1=CC(C=O)=CC(F)=C1 1455 [1,0,0,0,0,1|1,1,0]=4 416 B10R1.8 CC1=CC(C=O)=CC(O)=C1 28118 [1,0,0,0,0,1|2,0,0]=4 417 B10R1.8 CC1=NC(Cl)=CC(C=O)=N1 34574 [1,0,0,0,0,1|2,0,0]=4 418 B10R1.8 O=CC1=CC(Br)=CC(Cl)=C1 10436 [1,0,0,0,0,1|2,0,0]=4 419 B10R1.8 O=CC1=CC(Cl)=CC(Cl)=C1 3068 [1,0,0,0,0,1|2,0,0]=4 420 B10R1.8 O=CC1=CC(Cl)=CC(F)=C1 2890 [1,0,0,0,0,1|2,0,0]=4 421 B10R1.8 O=CC1=CC(Cl)=CC(O)=C1 30901 [1,0,0,0,0,1|2,0,0]=4 422 B10R1.8 O=CC1=CC(Cl)=NC(Cl)=C1 19581 [1,0,0,0,0,1|2,0,0]=4 423 B12R1.19 CC(=O)NC1=NC=C(Cl)C(C)=C1 6704 [0,0,0,0,0,2|2,0,0]=4 424 B12R1.19 CC1=C(Br)C=CC(CC(=O)O)=C1 24119 [0,0,0,0,0,2|1,1,0]=4 425 B12R1.19 CC1=C(C)C=C(CC(=O)O)C=C1 10440 [0,0,0,0,0,2|2,0,0]=4 426 B12R1.19 CC1=C(C)C=C(CC(=O)O)C=C1 28862 [0,0,0,0,0,2|2,0,0]=4 427 B12R1.19 CC1=C(F)C=C(CC(=O)O)C=C1 5864 [0,0,0,0,0,2|1,1,0]=4 428 B12R1.19 CC1=C(F)C=CC(CC(=O)O)=C1 31506 [0,0,0,0,0,2|1,1,0]=4 429 B12R1.19 CC1=C(O)C=CC(CC(=O)O)=C1 31480 [0,0,0,0,0,2|2,0,0]=4 430 B12R1.19 O=C(O)CC1=CC(Br)=C(Cl)C=C1 31765 [0,0,0,0,0,2|2,0,0]=4 431 B12R1.19 O=C(O)CC1=CC(Cl)=C(Br)C=C1 31528 [0,0,0,0,0,2|2,0,0]=4 432 B12R1.19 O=C(O)CC1=CC(Cl)=C(Cl)C=C1 20195 [0,0,0,0,0,2|2,0,0]=4 433 B12R1.19 O=C(O)CC1=CC(Cl)=C(F)C=C1 4260 [0,0,0,0,0,2|2,0,0]=4 434 B12R1.19 O=C(O)CC1=CC(Cl)=C(O)C=C1 12996 [0,0,0,0,0,2|2,0,0]=4 435 B12R1.19 O=C(O)CC1=CC(F)=C(Cl)C=C1 4301 [0,0,0,0,0,2|2,0,0]=4 436 B12R1.101 CC1=CC(C)=CC(CC(=O)O)=C1 28863 [0,0,0,0,0,2|2,0,0]=4 437 B12R1.101 CC1=CC(CC(=O)O)=CC(F)=C1 31478 [0,0,0,0,0,2|1,1,0]=4 438 B12R1.101 O=C(O)CC1=CC(Cl)=CC(Cl)=C1 24116 [0,0,0,0,0,2|2,0,0]=4 439 B12R1.101 O=C(O)CC1=CC(Cl)=CC(F)=C1 4266 [0,0,0,0,0,2|2,0,0]=4