0 B9R1.35 CC(=O)C1=CC(Br)=CS1 B13699 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.35 CC(=O)C1=CC(Cl)=CS1 A12844 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.35 CC(=O)C1=CC(N)=NN1 A11043 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.35 CC(=O)C1=CC=C(Br)S1 A12839 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.35 CC(=O)C1=CC=C(C)S1 A46277 [0,0,0,0,0,0|3,0,0]=3 5 B9R1.35 CC(=O)C1=CN(C)N=C1 M3257 [0,0,0,0,0,0|3,0,0]=3 6 B9R1.35 CC(=O)C1=CN=C(Br)S1 B32437 [0,0,0,0,0,0|4,0,0]=4 7 B9R1.35 CC(=O)C1=CN=C(N)S1 A41052 [0,0,0,0,0,0|4,0,0]=4 8 B9R1.35 CC(=O)C1=CNC(C)=C1 M46389 [0,0,0,0,0,0|2,0,0]=2 9 B9R1.35 CC(=O)C1=CSC(Cl)=C1 A1568 [0,0,0,0,0,0|2,0,0]=2 10 B9R1.35 CC(=O)C1=CSC(N)=N1 A41051 [0,0,0,0,0,0|3,0,0]=3 11 B9R1.35 CC(=O)C1=NC(C)=CO1 M43141 [0,0,0,0,0,0|4,0,0]=4 12 B9R1.35 CC(=O)C1=NN(C)C=C1 A13629 [0,0,0,0,0,0|4,0,0]=4 13 B9R1.35 CC(=O)C1=NNC(C)=C1 M62065 [0,0,0,0,0,0|3,0,0]=3 14 B9R1.35 CC(=O)C1=NOC(C)=C1 M43142 [0,0,0,0,0,0|2,1,0]=3 15 B9R1.35 CC1=CC(B(O)O)=NN1 M40217 [0,0,0,0,0,0|3,0,1]=4 16 B9R1.35 CC1=CC(C(=O)O)=CN1 M43147 [0,0,0,0,0,0|1,0,0]=1 17 B9R1.35 CC1=CC(C(=O)O)=CS1 M5852 [0,0,0,0,0,0|0,0,0]=0 18 B9R1.35 CC1=CC(C(=O)O)=NN1 M7890 [0,0,0,0,0,0|2,0,0]=2 19 B9R1.35 CC1=CC(C(=O)O)=NO1 M27266 [0,0,0,0,0,0|1,1,0]=2 20 B9R1.35 CC1=CC(C(N)=O)=NO1 M67790 [0,0,0,0,0,0|2,1,0]=3 21 B9R1.35 CC1=CC([N+](=O)[O-])=NN1 M40136 [0,0,0,0,0,0|3,0,1]=4 22 B9R1.35 CC1=CC=C(B(O)O)O1 M4380 [0,0,0,0,0,0|3,0,1]=4 23 B9R1.35 CC1=CC=C(B(O)O)S1 M4600 [0,0,0,0,0,0|3,0,1]=4 24 B9R1.35 CC1=CC=C(C(=O)O)N1 M36732 [0,0,0,0,0,0|2,0,0]=2 25 B9R1.35 CC1=CC=C(C(=O)O)O1 M38051 [0,0,0,0,0,0|2,0,0]=2 26 B9R1.35 CC1=CC=C(C(=O)O)S1 M42943 [0,0,0,0,0,0|2,0,0]=2 27 B9R1.35 CC1=CN=C(C(=O)O)S1 M40996 [0,0,0,0,0,0|3,0,0]=3 28 B9R1.35 CC1=CN=C(C(=O)[O-])O1 S27747 [0,0,0,0,0,0|3,0,1]=4 29 B9R1.35 CC1=CSC(B(O)O)=C1 M4580 [0,0,0,0,0,0|3,0,1]=4 30 B9R1.35 CC1=CSC(C(=O)O)=N1 M14993 [0,0,0,0,0,0|3,0,0]=3 31 B9R1.35 CC1=NC(C(=O)O)=CN1 M19958 [0,0,0,0,0,0|2,0,0]=2 32 B9R1.35 CC1=NC(C(=O)O)=CO1 M62066 [0,0,0,0,0,0|1,1,0]=2 33 B9R1.35 CC1=NC(C(=O)O)=CO1 M7132 [0,0,0,0,0,0|1,1,0]=2 34 B9R1.35 CC1=NC(C(=O)O)=CS1 M3047 [0,0,0,0,0,0|1,0,0]=1 35 B9R1.35 CC1=NC(C(N)=O)=CS1 M41050 [0,0,0,0,0,0|2,0,0]=2 36 B9R1.35 CC1=NC=C(C(=O)O)O1 M9856 [0,0,0,0,0,0|2,0,0]=2 37 B9R1.35 CC1=NC=C(C(=O)O)S1 M5426 [0,0,0,0,0,0|2,0,0]=2 38 B9R1.35 CC1=NC=C([N+](=O)[O-])N1 M68352 [0,0,0,0,0,0|3,0,1]=4 39 B9R1.35 CC1=NN=C(C(=O)[O-])O1 M15652 [0,0,0,0,0,0|3,0,1]=4 40 B9R1.35 CC1=NN=C(C(=O)[O-])S1 L40037 [0,0,0,0,0,0|3,0,1]=4 41 B9R1.35 CC1=NNC([N+](=O)[O-])=C1 M23164 [0,0,0,0,0,0|3,0,1]=4 42 B9R1.35 CC1=NOC(C(=O)O)=C1 M38698 [0,0,0,0,0,0|2,0,0]=2 43 B9R1.35 CN1C=C(B(O)O)C=N1 M36971 [0,0,0,0,0,0|3,0,1]=4 44 B9R1.35 CN1C=C(C(=O)O)C=N1 M7676 [0,0,0,0,0,0|2,0,0]=2 45 B9R1.35 CN1C=C([N+](=O)[O-])C=N1 M23498 [0,0,0,0,0,0|3,0,1]=4 46 B9R1.35 CN1C=CC(C(=O)O)=C1 M43143 [0,0,0,0,0,0|2,0,0]=2 47 B9R1.35 CN1C=CC(C(=O)O)=N1 M9460 [0,0,0,0,0,0|3,0,0]=3 48 B9R1.35 CN1C=CC(C(N)=O)=N1 M41144 [0,0,0,0,0,0|4,0,0]=4 49 B9R1.35 CN1C=NC(C(=O)O)=C1 M10536 [0,0,0,0,0,0|3,0,0]=3 50 B9R1.35 CN1C=NC(C(N)=O)=C1 M41145 [0,0,0,0,0,0|4,0,0]=4 51 B9R1.35 C[C@H](O)C1=CSC(Cl)=C1 C7957 [0,0,0,0,0,0|2,0,1]=3 52 B9R1.35 NC(=O)C1=CC(Br)=CN1 B40920 [0,0,0,0,0,0|4,0,0]=4 53 B9R1.35 NC(=O)C1=CC(Br)=CO1 B40829 [0,0,0,0,0,0|4,0,0]=4 54 B9R1.35 NC(=O)C1=CC(Br)=CS1 B40841 [0,0,0,0,0,0|4,0,0]=4 55 B9R1.35 NC(=O)C1=CC(O)=NO1 H40077 [0,0,0,0,0,0|4,0,0]=4 56 B9R1.35 NC(=O)C1=CC=C(Br)N1 B8083 [0,0,0,0,0,0|4,0,0]=4 57 B9R1.35 NC(=O)C1=CC=C(Br)S1 B68782 [0,0,0,0,0,0|4,0,0]=4 58 B9R1.35 NC(=O)C1=CN=C(Br)S1 B40041 [0,0,0,0,0,0|4,0,0]=4 59 B9R1.35 NC(=O)C1=CSC(Br)=C1 B40843 [0,0,0,0,0,0|2,0,0]=2 60 B9R1.35 NC(=O)C1=CSC(Br)=N1 B61895 [0,0,0,0,0,0|3,0,0]=3 61 B9R1.35 NC(=O)C1=CSC(N)=N1 A40145 [0,0,0,0,0,0|3,0,0]=3 62 B9R1.35 NC1=CC(C(=O)O)=NN1 A13351 [0,0,0,0,0,0|3,0,0]=3 63 B9R1.35 NC1=CN=C(C(=O)O)S1 A14284 [0,0,0,0,0,0|4,0,0]=4 64 B9R1.35 NC1=CN=C(C(=O)O)S1 A7363 [0,0,0,0,0,0|4,0,0]=4 65 B9R1.35 NC1=CNC(C(=O)O)=N1 A20425 [0,0,0,0,0,0|4,0,0]=4 66 B9R1.35 NC1=NC(C(=O)O)=CO1 A11266 [0,0,0,0,0,0|2,1,0]=3 67 B9R1.35 NC1=NC(C(=O)O)=CS1 A2115 [0,0,0,0,0,0|2,0,0]=2 68 B9R1.35 NC1=NC(C(=O)O)=CS1 A4882 [0,0,0,0,0,0|2,0,0]=2 69 B9R1.35 NC1=NC=C(C(=O)O)S1 A3492 [0,0,0,0,0,0|3,0,0]=3 70 B9R1.35 NC1=NN=C(C(=O)O)N1 A39136 [0,0,0,0,0,0|4,0,0]=4 71 B9R1.35 NC1=N[C@H](C(=O)O)CS1 A61601 [0,0,0,0,0,0|2,0,2]=4 72 B9R1.35 O=C(Cl)C1=CC=C(Cl)S1 C40558 [0,0,0,0,0,0|4,0,0]=4 73 B9R1.35 O=C(O)C1=CC(Br)=CN1 B40831 [0,0,0,0,0,0|3,0,0]=3 74 B9R1.35 O=C(O)C1=CC(Br)=CO1 B13536 [0,0,0,0,0,0|3,0,0]=3 75 B9R1.35 O=C(O)C1=CC(Br)=CS1 B3026 [0,0,0,0,0,0|3,0,0]=3 76 B9R1.35 O=C(O)C1=CC(Br)=NO1 I24762 [0,0,0,0,0,0|3,0,0]=3 77 B9R1.35 O=C(O)C1=CC(Cl)=CS1 C12488 [0,0,0,0,0,0|3,0,0]=3 78 B9R1.35 O=C(O)C1=CC(O)=NO1 H37322 [0,0,0,0,0,0|3,0,0]=3 79 B9R1.35 O=C(O)C1=CC=C(Br)O1 B4712 [0,0,0,0,0,0|3,0,0]=3 80 B9R1.35 O=C(O)C1=CC=C(Br)S1 B12755 [0,0,0,0,0,0|3,0,0]=3 81 B9R1.35 O=C(O)C1=CC=C(Cl)O1 C40690 [0,0,0,0,0,0|3,0,0]=3 82 B9R1.35 O=C(O)C1=CC=C(Cl)S1 C10492 [0,0,0,0,0,0|3,0,0]=3 83 B9R1.35 O=C(O)C1=CC=C(F)S1 F7718 [0,0,0,0,0,0|3,0,0]=3 84 B9R1.35 O=C(O)C1=CC=C(I)S1 K40688 [0,0,0,0,0,0|3,0,0]=3 85 B9R1.35 O=C(O)C1=CN=C(Br)O1 B32073 [0,0,0,0,0,0|3,0,0]=3 86 B9R1.35 O=C(O)C1=CN=C(Br)S1 B2125 [0,0,0,0,0,0|3,0,0]=3 87 B9R1.35 O=C(O)C1=CN=C(Cl)S1 C2765 [0,0,0,0,0,0|3,0,0]=3 88 B9R1.35 O=C(O)C1=COC(Br)=C1 B69658 [0,0,0,0,0,0|1,1,0]=2 89 B9R1.35 O=C(O)C1=COC(Br)=N1 B15227 [0,0,0,0,0,0|2,1,0]=3 90 B9R1.35 O=C(O)C1=COC(Cl)=N1 C15228 [0,0,0,0,0,0|2,1,0]=3 91 B9R1.35 O=C(O)C1=CSC(Br)=C1 B12752 [0,0,0,0,0,0|1,0,0]=1 92 B9R1.35 O=C(O)C1=CSC(Br)=N1 B2124 [0,0,0,0,0,0|2,0,0]=2 93 B9R1.35 O=C(O)C1=CSC(Cl)=C1 C7720 [0,0,0,0,0,0|1,0,0]=1 94 B9R1.35 O=C(O)C1=CSC(Cl)=N1 C2862 [0,0,0,0,0,0|2,0,0]=2 95 B9R1.35 O=C(O)C1=CSC(F)=C1 F15451 [0,0,0,0,0,0|1,0,0]=1 96 B9R1.35 O=C(O)C1=NC(Br)=CS1 B7895 [0,0,0,0,0,0|4,0,0]=4 97 B9R1.35 O=C(O)C1=NC=C(Br)S1 B10955 [0,0,0,0,0,0|4,0,0]=4 98 B9R1.35 O=C(O)C1=NC=C(Cl)S1 C13056 [0,0,0,0,0,0|4,0,0]=4 99 B9R1.35 O=C(O)C1=NNC(Br)=C1 B18673 [0,0,0,0,0,0|3,0,0]=3 100 B9R1.35 O=C(O)C1=NNC(Cl)=C1 C26046 [0,0,0,0,0,0|3,0,0]=3 101 B9R1.35 O=C(O)C1=NNC(O)=C1 H40078 [0,0,0,0,0,0|3,0,0]=3 102 B9R1.35 O=C1NC=C(C(=O)O)N1 X40079 [0,0,0,0,0,0|3,0,0]=3 103 B8R1.1 C#CC1=CSC(Cl)=C1 C14219 [1,0,0,0,0,0|2,0,1]=4 104 B8R1.1 CC1=CC(C=O)=CS1 M29797 [1,0,0,0,0,0|0,0,0]=1 105 B8R1.1 CC1=CC(C=O)=NN1 M41030 [1,0,0,0,0,0|2,0,0]=3 106 B8R1.1 CC1=CC=C(C=O)N1 M43134 [1,0,0,0,0,0|2,0,0]=3 107 B8R1.1 CC1=CC=C(C=O)S1 M39272 [1,0,0,0,0,0|2,0,0]=3 108 B8R1.1 CC1=CC=C(CO)O1 M43304 [1,0,0,0,0,0|2,0,1]=4 109 B8R1.1 CC1=CN=C(C=O)S1 M19270 [1,0,0,0,0,0|3,0,0]=4 110 B8R1.1 CC1=COC(C=O)=C1 M13538 [1,0,0,0,0,0|2,0,0]=3 111 B8R1.1 CC1=COC(C=O)=N1 M12937 [1,0,0,0,0,0|3,0,0]=4 112 B8R1.1 CC1=CSC(C=O)=C1 M42959 [1,0,0,0,0,0|2,0,0]=3 113 B8R1.1 CC1=CSC(C=O)=N1 M14992 [1,0,0,0,0,0|3,0,0]=4 114 B8R1.1 CC1=NC(C=O)=CO1 M3278 [1,0,0,0,0,0|1,1,0]=3 115 B8R1.1 CC1=NC(C=O)=CS1 F2075 [1,0,0,0,0,0|1,0,0]=2 116 B8R1.1 CC1=NC(C=O)=NO1 M32392 [1,0,0,0,0,0|2,1,0]=4 117 B8R1.1 CC1=NC=C(C=O)S1 F2897 [1,0,0,0,0,0|2,0,0]=3 118 B8R1.1 CC1=NC=C(CO)O1 M37561 [1,0,0,0,0,0|2,0,1]=4 119 B8R1.1 CC1=NC=C(CO)S1 M1967 [1,0,0,0,0,0|2,0,1]=4 120 B8R1.1 CC1=NN=C(C=O)O1 M36607 [1,0,0,0,0,0|3,0,0]=4 121 B8R1.1 CC1=NOC(C=O)=N1 M36862 [1,0,0,0,0,0|3,0,0]=4 122 B8R1.1 CN1C=C(C=O)C=N1 M6127 [1,0,0,0,0,0|2,0,0]=3 123 B8R1.1 CN1C=C(CO)C=N1 M10343 [1,0,0,0,0,0|2,0,1]=4 124 B8R1.1 CN1C=CC(C=O)=N1 M22764 [1,0,0,0,0,0|3,0,0]=4 125 B8R1.1 CN1C=NC(C=O)=C1 M11287 [1,0,0,0,0,0|3,0,0]=4 126 B8R1.1 N#CC1=CSC(Br)=C1 B12761 [1,0,0,0,0,0|2,0,1]=4 127 B8R1.1 N#CC1=CSC(Cl)=C1 C7664 [1,0,0,0,0,0|2,0,1]=4 128 B8R1.1 NC1=NC(CO)=CS1 A40186 [1,0,0,0,0,0|2,0,1]=4 129 B8R1.1 NC1=NC=C(C=O)S1 A2114 [1,0,0,0,0,0|3,0,0]=4 130 B8R1.1 NC1=NC=C(C=O)S1 A40321 [1,0,0,0,0,0|3,0,0]=4 131 B8R1.1 NCC1=CSC(Br)=C1 B16484 [1,0,0,0,0,0|2,0,1]=4 132 B8R1.1 NCC1=CSC(Cl)=C1 C7665 [1,0,0,0,0,0|2,0,1]=4 133 B8R1.1 O=CC1=CC(Br)=CN1 B38751 [1,0,0,0,0,0|3,0,0]=4 134 B8R1.1 O=CC1=CC(Br)=CO1 B13537 [1,0,0,0,0,0|3,0,0]=4 135 B8R1.1 O=CC1=CC(Br)=CS1 B12758 [1,0,0,0,0,0|3,0,0]=4 136 B8R1.1 O=CC1=CC(Cl)=CN1 C14574 [1,0,0,0,0,0|3,0,0]=4 137 B8R1.1 O=CC1=CC(Cl)=CS1 C12489 [1,0,0,0,0,0|3,0,0]=4 138 B8R1.1 O=CC1=CC(I)=CN1 K40861 [1,0,0,0,0,0|3,0,0]=4 139 B8R1.1 O=CC1=CC(I)=CS1 K40696 [1,0,0,0,0,0|3,0,0]=4 140 B8R1.1 O=CC1=CC=C(Br)N1 B67724 [1,0,0,0,0,0|3,0,0]=4 141 B8R1.1 O=CC1=CC=C(Br)O1 B67849 [1,0,0,0,0,0|3,0,0]=4 142 B8R1.1 O=CC1=CC=C(Br)S1 B10476 [1,0,0,0,0,0|3,0,0]=4 143 B8R1.1 O=CC1=CC=C(Cl)O1 C38278 [1,0,0,0,0,0|3,0,0]=4 144 B8R1.1 O=CC1=CC=C(Cl)S1 C7717 [1,0,0,0,0,0|3,0,0]=4 145 B8R1.1 O=CC1=CN=C(Br)S1 B2119 [1,0,0,0,0,0|3,0,0]=4 146 B8R1.1 O=CC1=CN=C(Cl)S1 C5784 [1,0,0,0,0,0|3,0,0]=4 147 B8R1.1 O=CC1=CSC(Br)=C1 B12754 [1,0,0,0,0,0|1,0,0]=2 148 B8R1.1 O=CC1=CSC(Br)=N1 B2118 [1,0,0,0,0,0|2,0,0]=3 149 B8R1.1 O=CC1=CSC(Cl)=C1 C1739 [1,0,0,0,0,0|1,0,0]=2 150 B8R1.1 O=CC1=CSC(Cl)=N1 C2764 [1,0,0,0,0,0|2,0,0]=3 151 B8R1.1 OCC1=CSC(Br)=N1 B2126 [1,0,0,0,0,0|2,0,1]=4 152 B8R1.1 OCC1=CSC(Cl)=C1 C7721 [1,0,0,0,0,0|1,0,1]=3 153 B8R1.1 OCC1=CSC(Cl)=N1 C2782 [1,0,0,0,0,0|2,0,1]=4 154 B8R1.7 CC(=O)C1=CC=CN1 P68619 [1,0,0,0,0,0|3,0,0]=4 155 B8R1.7 CC(=O)C1=CC=CS1 A69304 [1,0,0,0,0,0|3,0,0]=4 156 B8R1.7 CC(=O)C1=CC=NN1 P61226 [1,0,0,0,0,0|3,0,0]=4 157 B8R1.7 CC(=O)C1=CC=NO1 K40990 [1,0,0,0,0,0|3,0,0]=4 158 B8R1.7 CC(=O)C1=CNC=C1 A37548 [1,0,0,0,0,0|2,0,0]=3 159 B8R1.7 CC(=O)C1=CNC=N1 A41019 [1,0,0,0,0,0|3,0,0]=4 160 B8R1.7 CC(=O)C1=CNN=C1 P22638 [1,0,0,0,0,0|3,0,0]=4 161 B8R1.7 CC(=O)C1=CSC=C1 A12828 [1,0,0,0,0,0|1,0,0]=2 162 B8R1.7 CC(=O)C1=CSC=N1 T41006 [1,0,0,0,0,0|2,0,0]=3 163 B8R1.7 CC(=O)C1=NOC=C1 K40989 [1,0,0,0,0,0|2,1,0]=4 164 B8R1.7 CC(=O)N1C=CN=C1 I37940 [1,0,0,0,0,0|3,0,0]=4 165 B8R1.7 NC(=O)C1=COC=N1 X40074 [1,0,0,0,0,0|2,1,0]=4 166 B8R1.7 NC(=O)C1=NNC=C1 P67746 [1,0,0,0,0,0|3,0,0]=4 167 B8R1.7 O=C(Cl)C1=CC=CS1 T10056 [1,0,0,0,0,0|3,0,0]=4 168 B8R1.7 O=C(O)C1=CC=CN1 P24658 [1,0,0,0,0,0|2,0,0]=3 169 B8R1.7 O=C(O)C1=CC=CO1 F38499 [1,0,0,0,0,0|2,0,0]=3 170 B8R1.7 O=C(O)C1=CC=CS1 T69312 [1,0,0,0,0,0|2,0,0]=3 171 B8R1.7 O=C(O)C1=CC=NO1 K40064 [1,0,0,0,0,0|2,0,0]=3 172 B8R1.7 O=C(O)C1=CC=NS1 T40063 [1,0,0,0,0,0|2,0,0]=3 173 B8R1.7 O=C(O)C1=CCCC1 C43305 [1,0,0,0,0,0|1,0,2]=4 174 B8R1.7 O=C(O)C1=CN=CO1 O9363 [1,0,0,0,0,0|2,0,0]=3 175 B8R1.7 O=C(O)C1=CN=CS1 T2164 [1,0,0,0,0,0|2,0,0]=3 176 B8R1.7 O=C(O)C1=CNN=C1 P10474 [1,0,0,0,0,0|2,0,0]=3 177 B8R1.7 O=C(O)C1=CNN=N1 T38190 [1,0,0,0,0,0|3,0,0]=4 178 B8R1.7 O=C(O)C1=COC=C1 F14351 [1,0,0,0,0,0|0,1,0]=2 179 B8R1.7 O=C(O)C1=COC=N1 X9342 [1,0,0,0,0,0|1,1,0]=3 180 B8R1.7 O=C(O)C1=COCC1 D8190 [1,0,0,0,0,0|0,1,2]=4 181 B8R1.7 O=C(O)C1=CON=C1 X24704 [1,0,0,0,0,0|1,1,0]=3 182 B8R1.7 O=C(O)C1=CSC=C1 T12825 [1,0,0,0,0,0|0,0,0]=1 183 B8R1.7 O=C(O)C1=CSC=N1 T2163 [1,0,0,0,0,0|1,0,0]=2 184 B8R1.7 O=C(O)C1=CSN=C1 T40062 [1,0,0,0,0,0|1,0,0]=2 185 B8R1.7 O=C(O)C1=CSN=N1 T61264 [1,0,0,0,0,0|2,0,0]=3 186 B8R1.7 O=C(O)C1=NC=CN1 I37951 [1,0,0,0,0,0|3,0,0]=4 187 B8R1.7 O=C(O)C1=NC=CS1 T9224 [1,0,0,0,0,0|3,0,0]=4 188 B8R1.7 O=C(O)C1=NNC=C1 P9459 [1,0,0,0,0,0|2,0,0]=3 189 B8R1.7 O=C(O)C1=NOC=C1 I12360 [1,0,0,0,0,0|1,1,0]=3 190 B8R1.7 O=C(O)C1=NON=C1 X39804 [1,0,0,0,0,0|2,1,0]=4 191 B8R1.7 O=C(O)C1=NSC=C1 I6110 [1,0,0,0,0,0|1,0,0]=2 192 B8R1.7 O=C(O)[C@@H]1C=CCN1 D41170 [1,0,0,0,0,0|2,0,1]=4 193 B8R1.7 O=C(O)[C@@H]1C=CCN1 D41356 [1,0,0,0,0,0|2,0,1]=4 194 B8R1.7 O=C([O-])C1=CC=CS1 C2751 [1,0,0,0,0,0|2,0,1]=4 195 B8R1.7 O=C([O-])C1=CC=CS1 C41403 [1,0,0,0,0,0|2,0,1]=4 196 B8R1.7 O=[N+]([O-])C1=CNC=C1 N38853 [1,0,0,0,0,0|2,0,1]=4 197 B8R1.7 O=[N+]([O-])C1=CSN=C1 N63177 [1,0,0,0,0,0|2,0,1]=4 198 B8R1.7 OB(O)C1=COC=C1 F3600 [1,0,0,0,0,0|1,1,1]=4 199 B8R1.7 OB(O)C1=CSC=C1 T5200 [1,0,0,0,0,0|1,0,1]=3 200 B10R1.14 CNC(=O)C1=NOC(C)=C1 D43221 [0,1,0,0,0,0|2,1,0]=4 201 B10R1.14 COC(=O)C1=CC(=O)CC1 M46257 [0,1,0,0,0,0|2,0,1]=4 202 B10R1.14 COC(=O)C1=CC(=O)NN1 M67365 [0,1,0,0,0,0|3,0,0]=4 203 B10R1.14 COC(=O)C1=CC(Br)=CN1 M12023 [0,1,0,0,0,0|3,0,0]=4 204 B10R1.14 COC(=O)C1=CC(Br)=CO1 M42715 [0,1,0,0,0,0|3,0,0]=4 205 B10R1.14 COC(=O)C1=CC(Br)=CS1 M7697 [0,1,0,0,0,0|3,0,0]=4 206 B10R1.14 COC(=O)C1=CC(Br)=NN1 M40893 [0,1,0,0,0,0|3,0,0]=4 207 B10R1.14 COC(=O)C1=CC(C)=NO1 M43162 [0,1,0,0,0,0|2,0,0]=3 208 B10R1.14 COC(=O)C1=CC(Cl)=CS1 M14084 [0,1,0,0,0,0|3,0,0]=4 209 B10R1.14 COC(=O)C1=CC(F)=CS1 M42707 [0,1,0,0,0,0|3,0,0]=4 210 B10R1.14 COC(=O)C1=CC(N)=CS1 M43154 [0,1,0,0,0,0|3,0,0]=4 211 B10R1.14 COC(=O)C1=CC(N)=NN1 M11042 [0,1,0,0,0,0|3,0,0]=4 212 B10R1.14 COC(=O)C1=CC(O)=NO1 M37717 [0,1,0,0,0,0|3,0,0]=4 213 B10R1.14 COC(=O)C1=CC=C(Br)N1 M9622 [0,1,0,0,0,0|3,0,0]=4 214 B10R1.14 COC(=O)C1=CC=C(Br)O1 M42716 [0,1,0,0,0,0|3,0,0]=4 215 B10R1.14 COC(=O)C1=CC=C(Br)S1 M7698 [0,1,0,0,0,0|3,0,0]=4 216 B10R1.14 COC(=O)C1=CC=C(C)N1 M46412 [0,1,0,0,0,0|2,0,0]=3 217 B10R1.14 COC(=O)C1=CC=C(C)O1 M46254 [0,1,0,0,0,0|2,0,0]=3 218 B10R1.14 COC(=O)C1=CC=C(Cl)S1 M66823 [0,1,0,0,0,0|3,0,0]=4 219 B10R1.14 COC(=O)C1=CC=C(I)S1 M42708 [0,1,0,0,0,0|3,0,0]=4 220 B10R1.14 COC(=O)C1=CC=C(N)O1 A11105 [0,1,0,0,0,0|3,0,0]=4 221 B10R1.14 COC(=O)C1=CC=C(N)S1 M9979 [0,1,0,0,0,0|3,0,0]=4 222 B10R1.14 COC(=O)C1=CN(C)C=N1 M29723 [0,1,0,0,0,0|3,0,0]=4 223 B10R1.14 COC(=O)C1=CN=C(Br)O1 B3574 [0,1,0,0,0,0|3,0,0]=4 224 B10R1.14 COC(=O)C1=CN=C(Br)S1 M2155 [0,1,0,0,0,0|3,0,0]=4 225 B10R1.14 COC(=O)C1=CN=C(C)N1 M43230 [0,1,0,0,0,0|2,0,0]=3 226 B10R1.14 COC(=O)C1=CN=C(C)O1 M3277 [0,1,0,0,0,0|2,0,0]=3 227 B10R1.14 COC(=O)C1=CN=C(Cl)O1 M2777 [0,1,0,0,0,0|3,0,0]=4 228 B10R1.14 COC(=O)C1=CN=C(Cl)S1 M2695 [0,1,0,0,0,0|3,0,0]=4 229 B10R1.14 COC(=O)C1=CN=C(N)O1 M2776 [0,1,0,0,0,0|3,0,0]=4 230 B10R1.14 COC(=O)C1=CN=C(N)S1 M2153 [0,1,0,0,0,0|3,0,0]=4 231 B10R1.14 COC(=O)C1=CNC(=O)N1 M41045 [0,1,0,0,0,0|3,0,0]=4 232 B10R1.14 COC(=O)C1=CNC(Br)=C1 M42853 [0,1,0,0,0,0|2,0,0]=3 233 B10R1.14 COC(=O)C1=COC(Br)=N1 M3573 [0,1,0,0,0,0|2,1,0]=4 234 B10R1.14 COC(=O)C1=COC(C)=C1 M46255 [0,1,0,0,0,0|0,1,0]=2 235 B10R1.14 COC(=O)C1=COC(C)=N1 M7131 [0,1,0,0,0,0|1,1,0]=3 236 B10R1.14 COC(=O)C1=COC(Cl)=N1 M2706 [0,1,0,0,0,0|2,1,0]=4 237 B10R1.14 COC(=O)C1=COC(N)=N1 M2978 [0,1,0,0,0,0|2,1,0]=4 238 B10R1.14 COC(=O)C1=CSC(Br)=C1 M12753 [0,1,0,0,0,0|1,0,0]=2 239 B10R1.14 COC(=O)C1=CSC(Br)=N1 M2154 [0,1,0,0,0,0|2,0,0]=3 240 B10R1.14 COC(=O)C1=CSC(C)=N1 M2884 [0,1,0,0,0,0|1,0,0]=2 241 B10R1.14 COC(=O)C1=CSC(Cl)=C1 M1606 [0,1,0,0,0,0|1,0,0]=2 242 B10R1.14 COC(=O)C1=CSC(Cl)=N1 M2986 [0,1,0,0,0,0|2,0,0]=3 243 B10R1.14 COC(=O)C1=CSC(N)=N1 M2152 [0,1,0,0,0,0|2,0,0]=3 244 B10R1.14 COC(=O)C1=NC(C)=CS1 M43155 [0,1,0,0,0,0|3,0,0]=4 245 B10R1.14 COC(=O)C1=NC=C(C)O1 M17998 [0,1,0,0,0,0|3,0,0]=4 246 B10R1.14 COC(=O)C1=NC=C(C)S1 M43156 [0,1,0,0,0,0|3,0,0]=4 247 B10R1.14 COC(=O)C1=NN(C)C=C1 M29732 [0,1,0,0,0,0|3,0,0]=4 248 B10R1.14 COC(=O)C1=NNC(Br)=C1 M18674 [0,1,0,0,0,0|3,0,0]=4 249 B10R1.14 COC(=O)C1=NNC(C)=C1 M9723 [0,1,0,0,0,0|2,0,0]=3 250 B10R1.14 COC(=O)C1=NNC(Cl)=C1 M30058 [0,1,0,0,0,0|3,0,0]=4 251 B10R1.14 COC(=O)C1=NNC(I)=C1 M15686 [0,1,0,0,0,0|3,0,0]=4 252 B10R1.14 COC(=O)C1=NNC(O)=C1 M41044 [0,1,0,0,0,0|3,0,0]=4 253 B10R1.14 COC(=O)C1=NOC(N)=C1 M61911 [0,1,0,0,0,0|2,1,0]=4 254 B10R1.31 CC(=O)C1=CNC(C=O)=C1 A63189 [0,1,0,0,0,0|2,0,1]=4 255 B10R1.31 CCC1=CSC(C(=O)O)=N1 E43152 [0,1,0,0,0,0|3,0,0]=4 256 B10R1.31 CCC1=NC(C(=O)O)=CS1 E38343 [0,1,0,0,0,0|1,0,0]=2 257 B10R1.31 CCN1C=C(C(=O)O)C=N1 E15479 [0,1,0,0,0,0|2,0,0]=3 258 B10R1.31 CCN1C=CC(C(=O)O)=N1 E43220 [0,1,0,0,0,0|3,0,0]=4 259 B10R1.31 COC1=CN=C(C(=O)O)O1 M41003 [0,1,0,0,0,0|3,0,0]=4 260 B10R1.31 N#CC1=CC=C(C(=O)O)O1 C41961 [0,1,0,0,0,0|2,0,1]=4 261 B10R1.31 N#CC1=COC(C(=O)O)=C1 C41960 [0,1,0,0,0,0|2,0,1]=4 262 B10R1.31 N#CC1=CSC(C(=O)O)=C1 C41959 [0,1,0,0,0,0|2,0,1]=4 263 B10R1.31 N#CC1=NNC(C(=O)O)=C1 C37661 [0,1,0,0,0,0|2,0,1]=4 264 B10R1.31 O=C(O)C1=CC(CO)=NN1 H37123 [0,1,0,0,0,0|2,0,0]=3 265 B10R1.31 O=CC1=CC(B(O)O)=CS1 F41012 [0,1,0,0,0,0|1,0,2]=4 266 B10R1.31 O=CC1=CC=C(C(=O)O)O1 F42334 [0,1,0,0,0,0|2,0,1]=4 267 B10R1.31 O=CC1=CC=C(C(=O)O)S1 F60808 [0,1,0,0,0,0|2,0,1]=4 268 B10R1.31 OCC1=CC(B(O)O)=CS1 H41183 [0,1,0,0,0,0|1,0,1]=3 269 B10R1.58 CC(=O)C1=CC(C)=C(Br)S1 B45953 [0,1,0,0,0,0|3,0,0]=4 270 B10R1.58 CC1=C(Br)C=C(C(=O)O)S1 B42699 [0,1,0,0,0,0|2,0,0]=3 271 B10R1.58 CC1=CC(C(=O)O)=NN1C D43228 [0,1,0,0,0,0|2,0,0]=3 272 B10R1.58 CC1=CC(C(N)=O)=NN1C D43354 [0,1,0,0,0,0|3,0,0]=4 273 B10R1.58 CN1C=C(C(=O)O)N=C1Br B40899 [0,1,0,0,0,0|3,0,0]=4 274 B10R1.58 CN1N=C(C(=O)O)C=C1N A10962 [0,1,0,0,0,0|3,0,0]=4 275 B10R1.58 CN1N=C(C(=O)O)C=C1O H3231 [0,1,0,0,0,0|3,0,0]=4 276 B10R1.58 NC1=C(Br)SC(C(=O)O)=C1 A40836 [0,1,0,0,0,0|3,0,0]=4 277 B10R1.58 O=C(O)C1=CC(Br)=C(Br)O1 D40555 [0,1,0,0,0,0|3,0,0]=4 278 B10R1.58 O=C(O)C1=CC(Br)=C(Br)S1 D40549 [0,1,0,0,0,0|3,0,0]=4 279 B10R1.58 O=C(O)C1=CC(Cl)=C(Br)S1 B40551 [0,1,0,0,0,0|3,0,0]=4 280 B10R1.58 O=C(O)C1=CC(Cl)=C(Cl)S1 D40553 [0,1,0,0,0,0|3,0,0]=4 281 B10R1.59 CC(=O)C1=C(C)C=C(C)O1 D46833 [0,1,0,0,0,0|3,0,0]=4 282 B10R1.59 CC(=O)C1=C(C)N=C(C)S1 D46440 [0,1,0,0,0,0|3,0,0]=4 283 B10R1.59 CC(=O)C1=C(C)OC(C)=N1 D46406 [0,1,0,0,0,0|2,1,0]=4 284 B10R1.59 CC(=O)C1=C(C)SC(N)=N1 A43257 [0,1,0,0,0,0|3,0,0]=4 285 B10R1.59 CC(=O)C1=C(Cl)SC(Cl)=C1 A13751 [0,1,0,0,0,0|2,0,0]=3 286 B10R1.59 CC(=O)C1=CC(C)=NN1C D1042 [0,1,0,0,0,0|3,0,0]=4 287 B10R1.59 CC1=C(C(=O)O)N=C(Br)S1 B40835 [0,1,0,0,0,0|2,0,0]=3 288 B10R1.59 CC1=C(C(=O)O)N=C(N)S1 A69488 [0,1,0,0,0,0|2,0,0]=3 289 B10R1.59 CC1=C(C(=O)O)SC(Br)=N1 B40834 [0,1,0,0,0,0|3,0,0]=4 290 B10R1.59 CC1=C(C(=O)O)SC(N)=N1 A41039 [0,1,0,0,0,0|3,0,0]=4 291 B10R1.59 CC1=CC(C(=O)O)=C(C)N1 D62561 [0,1,0,0,0,0|1,0,0]=2 292 B10R1.59 CC1=CC(C(=O)O)=C(C)O1 P64574 [0,1,0,0,0,0|0,1,0]=2 293 B10R1.59 CC1=CC(C(N)=O)=C(N)S1 A43256 [0,1,0,0,0,0|1,0,0]=2 294 B10R1.59 CC1=CN(C)N=C1C(=O)O D43227 [0,1,0,0,0,0|3,0,0]=4 295 B10R1.59 CC1=NC(C(=O)O)=C(Br)O1 B9781 [0,1,0,0,0,0|1,1,0]=3 296 B10R1.59 CC1=NC(C(=O)O)=C(N)S1 A41040 [0,1,0,0,0,0|1,0,0]=2 297 B10R1.59 CC1=NC(C)=C(C(=O)O)O1 D43161 [0,1,0,0,0,0|2,0,0]=3 298 B10R1.59 CC1=NC(C)=C(C(=O)O)S1 D43157 [0,1,0,0,0,0|2,0,0]=3 299 B10R1.59 CC1=NN(C)C(C(=O)O)=C1 D3961 [0,1,0,0,0,0|2,0,0]=3 300 B10R1.59 CC1=NN(C)C(C(N)=O)=C1 D43358 [0,1,0,0,0,0|3,0,0]=4 301 B10R1.59 CC1=NN(C)C=C1C(=O)O D12015 [0,1,0,0,0,0|2,0,0]=3 302 B10R1.59 CN1C=C(Br)C(C(=O)O)=N1 B40898 [0,1,0,0,0,0|3,0,0]=4 303 B10R1.59 CN1C=C(Br)C=C1C(=O)O B42854 [0,1,0,0,0,0|3,0,0]=4 304 B10R1.59 CN1C=C(C(=O)O)C(I)=N1 K63323 [0,1,0,0,0,0|2,0,0]=3 305 B10R1.59 CN1C=C(C(N)=O)C(N)=N1 A39069 [0,1,0,0,0,0|3,0,0]=4 306 B10R1.59 CN1C=C(F)C(C(=O)O)=N1 F59943 [0,1,0,0,0,0|3,0,0]=4 307 B10R1.59 CN1C=C(I)C(C(=O)O)=N1 K40910 [0,1,0,0,0,0|3,0,0]=4 308 B10R1.59 CN1N=C(Cl)C=C1C(=O)O C10638 [0,1,0,0,0,0|3,0,0]=4 309 B10R1.59 CN1NC(=O)C=C1C(=O)O M63710 [0,1,0,0,0,0|3,0,0]=4 310 B10R1.59 O=C(O)C1=C(Br)C=C(Cl)S1 B40550 [0,1,0,0,0,0|3,0,0]=4 311 B10R1.59 O=C(O)C1=C(Br)N=C(Br)S1 D37488 [0,1,0,0,0,0|3,0,0]=4 312 B10R1.59 O=C(O)C1=C(Br)SC(Br)=C1 D38606 [0,1,0,0,0,0|1,0,0]=2 313 B10R1.59 O=C(O)C1=C(Br)SC(Br)=N1 D40286 [0,1,0,0,0,0|2,0,0]=3 314 B10R1.59 O=C(O)C1=C(Cl)C=C(Cl)S1 D62978 [0,1,0,0,0,0|3,0,0]=4 315 B10R1.59 O=C(O)C1=C(Cl)N=C(Cl)S1 D40287 [0,1,0,0,0,0|3,0,0]=4 316 B10R1.59 O=C(O)C1=C(Cl)SC(Cl)=C1 D15392 [0,1,0,0,0,0|1,0,0]=2 317 B10R1.59 O=C(O)C1=C(Cl)SC(Cl)=N1 D40288 [0,1,0,0,0,0|2,0,0]=3 318 B10R1.59 O=C(O)C1=C(F)C=C(Br)S1 B40552 [0,1,0,0,0,0|3,0,0]=4 319 B10R1.194 CC(=O)C1=CNC(Br)=C1C B46179 [0,1,0,0,0,0|3,0,0]=4 320 B10R1.194 CC1=C(C(=O)O)C=CN1C D46413 [0,1,0,0,0,0|2,0,0]=3 321 B10R1.194 CC1=C(C(=O)O)C=NN1C D23010 [0,1,0,0,0,0|2,0,0]=3 322 B10R1.194 CC1=C(C(=O)O)N=CN1C D43231 [0,1,0,0,0,0|3,0,0]=4 323 B10R1.194 CC1=C(N)C(C(=O)O)=CS1 A43159 [0,1,0,0,0,0|0,0,0]=1 324 B10R1.194 CC1=CNC(C(=O)O)=C1C D0626 [0,1,0,0,0,0|2,0,0]=3 325 B10R1.194 CC1=CSC(C(=O)O)=C1C D46250 [0,1,0,0,0,0|2,0,0]=3 326 B10R1.194 CC1=NNC(C(=O)O)=C1C D43229 [0,1,0,0,0,0|2,0,0]=3 327 B10R1.194 CN1C(Br)=CC=C1C(=O)O B42855 [0,1,0,0,0,0|3,0,0]=4 328 B10R1.194 CN1N=CC(C(=O)O)=C1Br B61709 [0,1,0,0,0,0|2,0,0]=3 329 B10R1.194 CN1N=CC(C(=O)O)=C1N A38073 [0,1,0,0,0,0|2,0,0]=3 330 B10R1.194 CN1N=CC(C(N)=O)=C1N A41210 [0,1,0,0,0,0|3,0,0]=4 331 B10R1.194 NC1=C(C(=O)O)SC=C1Br A63160 [0,1,0,0,0,0|3,0,0]=4 332 B10R1.194 O=C(O)C1=C(Cl)C(Cl)=NS1 D69502 [0,1,0,0,0,0|3,0,0]=4 333 B10R1.194 O=C(O)C1=C(F)C(F)=CN1 D13740 [0,1,0,0,0,0|3,0,0]=4 334 B8R0.9 COC(=O)\C=C\C(=O)O M60916 [0,0,1,0,0,0|1,1,1]=4 335 B8R0.28 CN(C)C\C=C\C(=O)O D25643 [0,0,1,0,0,0|2,0,1]=4 336 B10R1.13 CC(=O)C1=CC=C(C)C=C1 M68572 [0,0,0,0,0,1|2,0,0]=3 337 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 C68865 [0,0,0,0,0,1|3,0,0]=4 338 B10R1.13 CC(=O)C1=CC=C(F)C=C1 F38426 [0,0,0,0,0,1|3,0,0]=4 339 B10R1.13 CC(=O)C1=CC=C(I)C=C1 K39500 [0,0,0,0,0,1|3,0,0]=4 340 B10R1.13 CC(=O)C1=CC=C(N)C=C1 A68181 [0,0,0,0,0,1|3,0,0]=4 341 B10R1.13 CC(=O)C1=CC=C(O)C=C1 H64899 [0,0,0,0,0,1|3,0,0]=4 342 B10R1.13 CC(=O)C1=CN=C(Br)C=C1 B3106 [0,0,0,0,0,1|3,0,0]=4 343 B10R1.13 CC(=O)C1=CN=C(C)C=C1 A23296 [0,0,0,0,0,1|2,0,0]=3 344 B10R1.13 CC(=O)C1=CN=C(C)N=C1 M13671 [0,0,0,0,0,1|2,0,0]=3 345 B10R1.13 CC(=O)C1=CN=C(Cl)C=C1 A24257 [0,0,0,0,0,1|3,0,0]=4 346 B10R1.13 CC(=O)C1=CN=C(Cl)N=C1 C16565 [0,0,0,0,0,1|3,0,0]=4 347 B10R1.13 CC(=O)C1=CN=C(F)C=C1 F45498 [0,0,0,0,0,1|3,0,0]=4 348 B10R1.13 CC(=O)C1=CN=C(N)C=C1 A22139 [0,0,0,0,0,1|3,0,0]=4 349 B10R1.13 CC(=O)C1=CN=C(N)N=C1 A43099 [0,0,0,0,0,1|3,0,0]=4 350 B10R1.13 CC(=O)C1=CNC(=O)C=C1 A67563 [0,0,0,0,0,1|3,0,0]=4 351 B10R1.13 CC(=O)C1=NC=C(Br)C=C1 B22347 [0,0,0,0,0,1|3,0,0]=4 352 B10R1.13 CC(=O)C1=NC=C(C)C=C1 M49266 [0,0,0,0,0,1|2,0,0]=3 353 B10R1.13 CC(=O)C1=NC=C(Cl)C=C1 C26822 [0,0,0,0,0,1|3,0,0]=4 354 B10R1.13 CC(=O)C1=NC=C(O)C=C1 H45820 [0,0,0,0,0,1|3,0,0]=4 355 B10R1.13 CC(=O)C1=NC=C(O)N=C1 H42776 [0,0,0,0,0,1|3,0,0]=4 356 B10R1.13 CC1=CC=C(B(O)O)C=C1 T5215 [0,0,0,0,0,1|2,0,1]=4 357 B10R1.13 CC1=CC=C(C(=N)N)C=C1 M38078 [0,0,0,0,0,1|3,0,0]=4 358 B10R1.13 CC1=CC=C(C(=O)O)C=C1 M64877 [0,0,0,0,0,1|1,0,0]=2 359 B10R1.13 CC1=CC=C(C(N)=O)C=C1 M39514 [0,0,0,0,0,1|2,0,0]=3 360 B10R1.13 CC1=CC=C([C@@H](C)O)C=C1 T50271 [0,0,0,0,0,1|2,0,1]=4 361 B10R1.13 CC1=CC=C([S@](=O)[O-])C=C1 S38423 [0,0,0,0,0,1|2,0,1]=4 362 B10R1.13 CC1=CC=C([S@](C)=O)C=C1 M65785 [0,0,0,0,0,1|3,0,0]=4 363 B10R1.13 CC1=CC=C([S@](N)=O)C=C1 M36646 [0,0,0,0,0,1|3,0,0]=4 364 B10R1.13 CC1=CN=C(C(=O)O)C=C1 M23707 [0,0,0,0,0,1|1,0,0]=2 365 B10R1.13 CC1=CN=C(C(=O)O)C=C1 M46550 [0,0,0,0,0,1|1,0,0]=2 366 B10R1.13 CC1=CN=C(C(=O)O)C=N1 M4677 [0,0,0,0,0,1|1,0,0]=2 367 B10R1.13 CC1=CN=C(C(=O)O)N=C1 M11475 [0,0,0,0,0,1|2,0,0]=3 368 B10R1.13 CC1=CN=C([N+](=O)[O-])C=C1 M42775 [0,0,0,0,0,1|2,0,1]=4 369 B10R1.13 CC1=NC=C(B(O)O)C=C1 M24773 [0,0,0,0,0,1|2,0,1]=4 370 B10R1.13 CC1=NC=C(B(O)O)C=N1 M14450 [0,0,0,0,0,1|2,0,1]=4 371 B10R1.13 CC1=NC=C(C(=O)O)C=C1 M10933 [0,0,0,0,0,1|1,0,0]=2 372 B10R1.13 CC1=NC=C([C@H](C)O)C=C1 H64312 [0,0,0,0,0,1|2,0,1]=4 373 B10R1.13 CC1=NC=C([N+](=O)[O-])C=C1 M4745 [0,0,0,0,0,1|2,0,1]=4 374 B10R1.13 CC1=NC=C([N+](=O)[O-])C=N1 M13140 [0,0,0,0,0,1|2,0,1]=4 375 B10R1.13 NC(=O)C1=CC=C(Br)C=C1 B45467 [0,0,0,0,0,1|3,0,0]=4 376 B10R1.13 NC(=O)C1=CC=C(Cl)C=C1 C45478 [0,0,0,0,0,1|3,0,0]=4 377 B10R1.13 NC(=O)C1=CC=C(N)C=C1 A37818 [0,0,0,0,0,1|3,0,0]=4 378 B10R1.13 NC(=O)C1=CN=C(Br)C=C1 B9626 [0,0,0,0,0,1|3,0,0]=4 379 B10R1.13 NC(=O)C1=CN=C(Br)C=N1 B40806 [0,0,0,0,0,1|3,0,0]=4 380 B10R1.13 NC(=O)C1=CN=C(Cl)C=C1 C42457 [0,0,0,0,0,1|3,0,0]=4 381 B10R1.13 NC(=O)C1=NC=C(Br)C=C1 B26330 [0,0,0,0,0,1|3,0,0]=4 382 B10R1.13 NC(=O)C1=NC=C(Cl)C=C1 C42456 [0,0,0,0,0,1|3,0,0]=4 383 B10R1.13 NC(=O)C1=NC=C(F)C=C1 F42460 [0,0,0,0,0,1|3,0,0]=4 384 B10R1.13 NC(=O)C1=NC=C(N)C=C1 A43096 [0,0,0,0,0,1|3,0,0]=4 385 B10R1.13 NC(=O)C1=NC=C(N)N=C1 A41099 [0,0,0,0,0,1|3,0,0]=4 386 B10R1.13 NC1=CN=C(C(=O)O)C=C1 A1119 [0,0,0,0,0,1|2,0,0]=3 387 B10R1.13 NC1=CN=C(C(=O)O)C=N1 A14591 [0,0,0,0,0,1|2,0,0]=3 388 B10R1.13 NC1=CN=C(C(=O)O)N=C1 A12385 [0,0,0,0,0,1|3,0,0]=4 389 B10R1.13 NC1=NC=C(C(=O)O)C=C1 A4758 [0,0,0,0,0,1|2,0,0]=3 390 B10R1.13 NC1=NC=C(C(=O)O)C=N1 A23009 [0,0,0,0,0,1|2,0,0]=3 391 B10R1.13 NC1=NN=C(C(=O)O)C=C1 A7484 [0,0,0,0,0,1|3,0,0]=4 392 B10R1.13 NC1=NN=C(C(=O)O)CS1 A1358 [0,0,0,0,0,1|2,0,1]=4 393 B10R1.13 O=C(Cl)C1=CN=C(Cl)C=C1 C42006 [0,0,0,0,0,1|3,0,0]=4 394 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 C67273 [0,0,0,0,0,1|2,0,0]=3 395 B10R1.13 O=C(O)C1=CC=C(I)C=C1 K39365 [0,0,0,0,0,1|2,0,0]=3 396 B10R1.13 O=C(O)C1=CC=C(S)C=C1 M69070 [0,0,0,0,0,1|2,0,0]=3 397 B10R1.13 O=C(O)C1=CN=C(Br)C=C1 B4499 [0,0,0,0,0,1|2,0,0]=3 398 B10R1.13 O=C(O)C1=CN=C(Br)C=N1 B26010 [0,0,0,0,0,1|2,0,0]=3 399 B10R1.13 O=C(O)C1=CN=C(Cl)C=C1 C24114 [0,0,0,0,0,1|2,0,0]=3 400 B10R1.13 O=C(O)C1=CN=C(Cl)C=N1 C7535 [0,0,0,0,0,1|2,0,0]=3 401 B10R1.13 O=C(O)C1=CN=C(Cl)N=C1 C4912 [0,0,0,0,0,1|2,0,0]=3 402 B10R1.13 O=C(O)C1=CN=C(F)C=C1 F2849 [0,0,0,0,0,1|2,0,0]=3 403 B10R1.13 O=C(O)C1=CN=C(O)N=C1 H4911 [0,0,0,0,0,1|2,0,0]=3 404 B10R1.13 O=C(O)C1=NC=C(Br)C=C1 B4511 [0,0,0,0,0,1|2,0,0]=3 405 B10R1.13 O=C(O)C1=NC=C(Br)C=N1 B14043 [0,0,0,0,0,1|3,0,0]=4 406 B10R1.13 O=C(O)C1=NC=C(Cl)C=N1 C11476 [0,0,0,0,0,1|3,0,0]=4 407 B10R1.13 O=C(O)C1=NC=C(F)C=C1 F13767 [0,0,0,0,0,1|2,0,0]=3 408 B10R1.13 O=C(O)C1=NC=C(F)C=N1 F11482 [0,0,0,0,0,1|3,0,0]=4 409 B10R1.13 O=C(O)C1=NC=C(I)C=C1 I38885 [0,0,0,0,0,1|2,0,0]=3 410 B10R1.13 O=C(O)C1=NC=C(O)C=C1 H8151 [0,0,0,0,0,1|2,0,0]=3 411 B10R1.13 O=C(O)C1=NC=C(O)N=C1 H12388 [0,0,0,0,0,1|2,0,0]=3 412 B10R1.13 O=C(O)C1=NN=C(Br)C=C1 B13479 [0,0,0,0,0,1|3,0,0]=4 413 B10R1.13 O=C(O)C1=NN=C(Cl)C=C1 C0263 [0,0,0,0,0,1|3,0,0]=4 414 B10R1.13 O=C(O)C1=NN=C(O)C=C1 H0266 [0,0,0,0,0,1|3,0,0]=4 415 B10R1.13 O=C(O)C1=NN=C(O)C=C1 H41345 [0,0,0,0,0,1|3,0,0]=4 416 B10R1.13 O=C1C=CC(C(=O)O)=CN1 H12738 [0,0,0,0,0,1|2,0,0]=3 417 B10R1.13 O=C1C=CC(C(=O)O)=CO1 C7780 [0,0,0,0,0,1|1,1,0]=3 418 B10R1.13 O=[S@](O)C1=CC=C(Br)C=C1 B42696 [0,0,0,0,0,1|3,0,0]=4 419 B10R1.54 CC(=O)NC1=NNC(C)=C1 M43357 [0,0,0,0,0,1|3,0,0]=4 420 B10R1.54 CC1=CN(CC(=O)O)N=C1 M43224 [0,0,0,0,0,1|3,0,0]=4 421 B10R1.54 CC1=NNC(CC(=O)O)=N1 M64402 [0,0,0,0,0,1|3,0,0]=4 422 B10R1.54 NC1=CC(CC(=O)O)=NN1 A5389 [0,0,0,0,0,1|3,0,0]=4 423 B10R1.54 NC1=NC(CC(=O)O)=CS1 A39195 [0,0,0,0,0,1|2,0,0]=3 424 B10R1.54 NC1=NC=C(CC(=O)O)S1 A11834 [0,0,0,0,0,1|3,0,0]=4 425 B10R1.54 O=C(O)CC1=CSC(Br)=N1 B40833 [0,0,0,0,0,1|2,0,0]=3 426 B10R1.113 CC(=O)C1=CC(Br)=CN=C1 A12880 [0,0,0,0,0,1|3,0,0]=4 427 B10R1.113 CC(=O)C1=CC(Br)=NC=C1 B39012 [0,0,0,0,0,1|3,0,0]=4 428 B10R1.113 CC(=O)C1=CC(C)=CC=C1 T39528 [0,0,0,0,0,1|2,0,0]=3 429 B10R1.113 CC(=O)C1=CC(C)=NC=C1 M49265 [0,0,0,0,0,1|2,0,0]=3 430 B10R1.113 CC(=O)C1=CC(Cl)=NC=C1 C0410 [0,0,0,0,0,1|3,0,0]=4 431 B10R1.113 CC(=O)C1=CC(F)=CN=C1 F45496 [0,0,0,0,0,1|3,0,0]=4 432 B10R1.113 CC(=O)C1=CC(N)=CC=C1 A68568 [0,0,0,0,0,1|3,0,0]=4 433 B10R1.113 CC(=O)C1=CC(O)=CC=C1 H60763 [0,0,0,0,0,1|3,0,0]=4 434 B10R1.113 CC(=O)C1=CC=CC(Cl)=C1 C69069 [0,0,0,0,0,1|3,0,0]=4 435 B10R1.113 CC(=O)C1=CC=CC(F)=C1 F48736 [0,0,0,0,0,1|3,0,0]=4 436 B10R1.113 CC(=O)C1=CC=CC(I)=C1 I37889 [0,0,0,0,0,1|3,0,0]=4 437 B10R1.113 CC(=O)C1=CN=CC(C)=C1 M63719 [0,0,0,0,0,1|2,0,0]=3 438 B10R1.113 CC(=O)C1=NC(C)=CC=C1 A49259 [0,0,0,0,0,1|3,0,0]=4 439 B10R1.113 CC(=O)C1=NC=CC(Br)=C1 B45471 [0,0,0,0,0,1|3,0,0]=4 440 B10R1.113 CC(=O)C1=NC=CC(C)=C1 M4575 [0,0,0,0,0,1|2,0,0]=3 441 B10R1.113 CC(=O)C1=NC=CC(Cl)=C1 C61244 [0,0,0,0,0,1|3,0,0]=4 442 B10R1.113 CC(=O)C1=NC=NC(C)=C1 M45984 [0,0,0,0,0,1|2,0,0]=3 443 B10R1.113 CC1=CC(B(O)O)=CN=C1 M5113 [0,0,0,0,0,1|2,0,1]=4 444 B10R1.113 CC1=CC(C(=N)N)=NC=C1 M46572 [0,0,0,0,0,1|3,0,0]=4 445 B10R1.113 CC1=CC(C(=O)O)=CN=C1 M10515 [0,0,0,0,0,1|1,0,0]=2 446 B10R1.113 CC1=CC(C(=O)O)=CN=N1 M16625 [0,0,0,0,0,1|1,0,0]=2 447 B10R1.113 CC1=CC(C(=O)O)=NC=C1 M38719 [0,0,0,0,0,1|1,0,0]=2 448 B10R1.113 CC1=CC(C(=O)O)=NC=N1 M14544 [0,0,0,0,0,1|1,0,0]=2 449 B10R1.113 CC1=CC(C(=O)O)=NN=C1 M17544 [0,0,0,0,0,1|2,0,0]=3 450 B10R1.113 CC1=CC([N+](=O)[O-])=NC=C1 M42774 [0,0,0,0,0,1|2,0,1]=4 451 B10R1.113 CC1=CC=CC(B(O)O)=C1 T5210 [0,0,0,0,0,1|2,0,1]=4 452 B10R1.113 CC1=CC=CC(C(=N)N)=C1 M49488 [0,0,0,0,0,1|3,0,0]=4 453 B10R1.113 CC1=CC=CC(C(=O)O)=N1 M45823 [0,0,0,0,0,1|2,0,0]=3 454 B10R1.113 CC1=CC=NC(C(=O)O)=N1 M14425 [0,0,0,0,0,1|2,0,0]=3 455 B10R1.113 CC1=CC=NC(C(N)=O)=N1 M43098 [0,0,0,0,0,1|3,0,0]=4 456 B10R1.113 CC1=CN=CC(C(=O)O)=N1 M10680 [0,0,0,0,0,1|2,0,0]=3 457 B10R1.113 CC1=CN=CC(C(N)=O)=N1 M43097 [0,0,0,0,0,1|3,0,0]=4 458 B10R1.113 CC1=NC=CC(B(O)O)=C1 M24370 [0,0,0,0,0,1|2,0,1]=4 459 B10R1.113 CC1=NC=CC(B(O)O)=C1 M43543 [0,0,0,0,0,1|2,0,1]=4 460 B10R1.113 CC1=NC=CC(C(=O)O)=C1 M15805 [0,0,0,0,0,1|1,0,0]=2 461 B10R1.113 CC1=NC=CC(C(=O)O)=N1 M42778 [0,0,0,0,0,1|2,0,0]=3 462 B10R1.113 CC1=NC=CC([N+](=O)[O-])=C1 M12848 [0,0,0,0,0,1|2,0,1]=4 463 B10R1.113 NC(=O)C1=CC(Br)=CN=C1 B42448 [0,0,0,0,0,1|3,0,0]=4 464 B10R1.113 NC(=O)C1=CC(O)=CC=C1 H45813 [0,0,0,0,0,1|3,0,0]=4 465 B10R1.113 NC(=O)C1=CC=CC(Br)=C1 B45466 [0,0,0,0,0,1|3,0,0]=4 466 B10R1.113 NC(=O)C1=CC=CC(F)=C1 F45492 [0,0,0,0,0,1|3,0,0]=4 467 B10R1.113 NC(=O)C1=CN=CC(N)=C1 A43095 [0,0,0,0,0,1|3,0,0]=4 468 B10R1.113 NC(=O)C1=NC=CC(Br)=C1 B12089 [0,0,0,0,0,1|3,0,0]=4 469 B10R1.113 NC(=O)C1=NC=CC(Cl)=C1 H15729 [0,0,0,0,0,1|3,0,0]=4 470 B10R1.113 NC(=O)C1=NC=CC(N)=C1 A43091 [0,0,0,0,0,1|3,0,0]=4 471 B10R1.113 NC1=CC(C(=O)O)=CN=C1 A4566 [0,0,0,0,0,1|2,0,0]=3 472 B10R1.113 NC1=CC(C(=O)O)=NC=C1 A10317 [0,0,0,0,0,1|2,0,0]=3 473 B10R1.113 NC1=CC(C(=O)O)=NC=N1 A54071 [0,0,0,0,0,1|2,0,0]=3 474 B10R1.113 NC1=CC=CC(C(=O)O)=C1 A69286 [0,0,0,0,0,1|2,0,0]=3 475 B10R1.113 NC1=CC=CC(C(=O)O)=N1 A4798 [0,0,0,0,0,1|3,0,0]=4 476 B10R1.113 NC1=CN=CC(C(=O)O)=N1 A40967 [0,0,0,0,0,1|3,0,0]=4 477 B10R1.113 NC1=NC=CC(C(=O)O)=C1 A3938 [0,0,0,0,0,1|2,0,0]=3 478 B10R1.113 NC1=NC=CC(C(=O)O)=N1 A3707 [0,0,0,0,0,1|3,0,0]=4 479 B10R1.113 O=C(Cl)C1=CC=CC(Cl)=C1 C64820 [0,0,0,0,0,1|3,0,0]=4 480 B10R1.113 O=C(O)C1=CC(Br)=CN=C1 B69308 [0,0,0,0,0,1|2,0,0]=3 481 B10R1.113 O=C(O)C1=CC(Br)=NC=C1 B2422 [0,0,0,0,0,1|2,0,0]=3 482 B10R1.113 O=C(O)C1=CC(Cl)=CN=C1 C10556 [0,0,0,0,0,1|2,0,0]=3 483 B10R1.113 O=C(O)C1=CC(Cl)=CN=N1 C40581 [0,0,0,0,0,1|3,0,0]=4 484 B10R1.113 O=C(O)C1=CC(Cl)=NC=C1 C12400 [0,0,0,0,0,1|2,0,0]=3 485 B10R1.113 O=C(O)C1=CC(Cl)=NC=N1 C10743 [0,0,0,0,0,1|2,0,0]=3 486 B10R1.113 O=C(O)C1=CC(Cl)=NN=C1 C11605 [0,0,0,0,0,1|2,0,0]=3 487 B10R1.113 O=C(O)C1=CC(F)=CN=C1 F12047 [0,0,0,0,0,1|2,0,0]=3 488 B10R1.113 O=C(O)C1=CC(F)=NC=C1 F42254 [0,0,0,0,0,1|2,0,0]=3 489 B10R1.113 O=C(O)C1=CC(O)=NC=C1 H3170 [0,0,0,0,0,1|2,0,0]=3 490 B10R1.113 O=C(O)C1=CC(O)=NC=C1 H38104 [0,0,0,0,0,1|2,0,0]=3 491 B10R1.113 O=C(O)C1=CC=CC(Br)=C1 B39364 [0,0,0,0,0,1|2,0,0]=3 492 B10R1.113 O=C(O)C1=CC=CC(Br)=N1 B4508 [0,0,0,0,0,1|3,0,0]=4 493 B10R1.113 O=C(O)C1=CC=CC(F)=C1 F68888 [0,0,0,0,0,1|2,0,0]=3 494 B10R1.113 O=C(O)C1=CC=CC(F)=N1 F3784 [0,0,0,0,0,1|3,0,0]=4 495 B10R1.113 O=C(O)C1=CC=CC(I)=C1 K68155 [0,0,0,0,0,1|2,0,0]=3 496 B10R1.113 O=C(O)C1=CC=NC(Br)=N1 B32155 [0,0,0,0,0,1|3,0,0]=4 497 B10R1.113 O=C(O)C1=CC=NC(Cl)=N1 C5854 [0,0,0,0,0,1|3,0,0]=4 498 B10R1.113 O=C(O)C1=CN=CC(Br)=N1 B32134 [0,0,0,0,0,1|3,0,0]=4 499 B10R1.113 O=C(O)C1=CN=CC(Cl)=N1 C0341 [0,0,0,0,0,1|3,0,0]=4 500 B10R1.113 O=C(O)C1=CN=CC(O)=C1 H4735 [0,0,0,0,0,1|2,0,0]=3 501 B10R1.113 O=C(O)C1=NC=CC(Br)=C1 B7920 [0,0,0,0,0,1|2,0,0]=3 502 B10R1.113 O=C(O)C1=NC=CC(Cl)=C1 C24201 [0,0,0,0,0,1|2,0,0]=3 503 B10R1.113 O=C(O)C1=NC=CC(F)=C1 F42252 [0,0,0,0,0,1|2,0,0]=3 504 B10R1.113 O=C(O)C1=NC=CC(I)=C1 I3949 [0,0,0,0,0,1|2,0,0]=3 505 B10R1.113 O=C(O)C1=NC=CC(O)=C1 H9415 [0,0,0,0,0,1|2,0,0]=3 506 B10R1.113 O=C(O)C1=NC=NC(O)=C1 H3196 [0,0,0,0,0,1|2,0,0]=3 507 B10R1.113 O=C1C=C(C(=O)O)C=NN1 X69567 [0,0,0,0,0,1|2,0,0]=3 508 B10R1.113 O=C1C=NC=C(C(=O)O)N1 X40760 [0,0,0,0,0,1|3,0,0]=4 509 B10R1.113 O=C1N=CC=C(C(=O)O)N1 X60835 [0,0,0,0,0,1|3,0,0]=4 510 B7R0.4 CCC\C=C\C(=O)O H41460 [1,0,1,0,0,0|1,0,1]=4 511 B7R0.4 CCOC=CC(=O)O E41226 [1,0,1,0,0,0|0,1,1]=4 512 B7R0.4 COC\C=C\C(=O)O M63576 [1,0,1,0,0,0|2,0,0]=4 513 B7R0.5 CCC=C(C)C(=O)O M39198 [1,0,1,0,0,0|0,0,2]=4 514 B7R0.5 CC\C=C(/C)C(=O)O M41462 [1,0,1,0,0,0|0,0,2]=4 515 B7R1.1 BrCC1=CSC=C1 B60823 [2,0,0,0,0,0|1,0,1]=4 516 B7R1.1 C#CC1=CSC=C1 E42372 [2,0,0,0,0,0|1,0,1]=4 517 B7R1.1 COC1=CSC=C1 M41124 [2,0,0,0,0,0|2,0,0]=4 518 B7R1.1 N#CC1=CSC=C1 C12829 [2,0,0,0,0,0|1,0,1]=4 519 B7R1.1 NCC1=CSC=C1 T41357 [2,0,0,0,0,0|1,0,1]=4 520 B7R1.1 O=CC1=CC=CN1 P64891 [2,0,0,0,0,0|2,0,0]=4 521 B7R1.1 O=CC1=CC=CS1 T68614 [2,0,0,0,0,0|2,0,0]=4 522 B7R1.1 O=CC1=CC=NO1 K40060 [2,0,0,0,0,0|2,0,0]=4 523 B7R1.1 O=CC1=CN=CO1 X11928 [2,0,0,0,0,0|2,0,0]=4 524 B7R1.1 O=CC1=CN=CS1 T2161 [2,0,0,0,0,0|2,0,0]=4 525 B7R1.1 O=CC1=CNC=C1 P25022 [2,0,0,0,0,0|1,0,0]=3 526 B7R1.1 O=CC1=CNN=C1 P0675 [2,0,0,0,0,0|2,0,0]=4 527 B7R1.1 O=CC1=CNN=C1 P7759 [2,0,0,0,0,0|2,0,0]=4 528 B7R1.1 O=CC1=COC=C1 F65465 [2,0,0,0,0,0|0,1,0]=3 529 B7R1.1 O=CC1=CSC=C1 T12697 [2,0,0,0,0,0|0,0,0]=2 530 B7R1.1 O=CC1=CSC=N1 T2159 [2,0,0,0,0,0|1,0,0]=3 531 B7R1.1 O=CC1=NNC=C1 P23454 [2,0,0,0,0,0|2,0,0]=4 532 B7R1.1 O=CC1=NOC=C1 I0114 [2,0,0,0,0,0|1,1,0]=4 533 B7R1.1 OCC1=COC=C1 F41115 [2,0,0,0,0,0|0,1,1]=4 534 B7R1.1 OCC1=CSC=C1 T12827 [2,0,0,0,0,0|0,0,1]=3 535 B7R1.1 OCC1=CSC=N1 T2165 [2,0,0,0,0,0|1,0,1]=4 536 B7R1.2 CC1=CC(=O)CC1 M22783 [2,0,0,0,0,0|1,0,1]=4 537 B7R1.2 CC1=CC(=O)CO1 M41117 [2,0,0,0,0,0|0,1,1]=4 538 B7R1.2 CC1=CC(=O)NN1 M12010 [2,0,0,0,0,0|2,0,0]=4 539 B7R1.2 CC1=CC(=O)NO1 M68379 [2,0,0,0,0,0|1,1,0]=4 540 B7R1.2 CC1=CC(Br)=CS1 B40867 [2,0,0,0,0,0|1,0,0]=3 541 B7R1.2 CC1=CSC(C)=N1 D41174 [2,0,0,0,0,0|1,0,1]=4 542 B7R1.2 CC1=CSC(N)=C1 A0597 [2,0,0,0,0,0|1,0,1]=4 543 B7R1.2 CC1=NC(Br)=CS1 B2069 [2,0,0,0,0,0|2,0,0]=4 544 B7R1.2 CC1=NNC(O)=C1 M0907 [2,0,0,0,0,0|2,0,0]=4 545 B7R1.2 CN1C=C(O)C=N1 M38839 [2,0,0,0,0,0|2,0,0]=4 546 B7R1.2 NC1=CSC(Cl)=C1 A14220 [2,0,0,0,0,0|2,0,0]=4 547 B7R1.2 NC1=CSC(Cl)=C1 A7362 [2,0,0,0,0,0|2,0,0]=4 548 B7R1.2 NC1=NC(O)=CS1 A39839 [2,0,0,0,0,0|2,0,0]=4 549 B7R1.2 OC1=NSC(Cl)=C1 C37755 [2,0,0,0,0,0|2,0,0]=4 550 B9R1.21 CCN1C=C(C=O)C=N1 E3269 [1,1,0,0,0,0|2,0,0]=4 551 B9R1.21 COC1=NC=C(C=O)S1 M40995 [1,1,0,0,0,0|2,0,0]=4 552 B9R1.21 O=CC1=CC=C(CO)N1 H43148 [1,1,0,0,0,0|2,0,0]=4 553 B9R1.21 O=CC1=CSC(C=O)=C1 T42325 [1,1,0,0,0,0|0,0,1]=3 554 B9R1.22 CC1=C(C=O)N=C(N)S1 A41053 [1,1,0,0,0,0|2,0,0]=4 555 B9R1.22 CC1=CC(C#N)=C(N)S1 A42809 [1,1,0,0,0,0|1,0,1]=4 556 B9R1.22 CC1=CC(C)=C(C=O)N1 D37937 [1,1,0,0,0,0|2,0,0]=4 557 B9R1.22 CC1=NC(C)=C(C=O)N1 D39065 [1,1,0,0,0,0|2,0,0]=4 558 B9R1.22 CC1=NN(C)C(C=O)=C1 D3606 [1,1,0,0,0,0|2,0,0]=4 559 B9R1.22 CC1=NN(C)C=C1C=O D9711 [1,1,0,0,0,0|2,0,0]=4 560 B9R1.22 O=CC1=C(Cl)SC(Cl)=C1 D40556 [1,1,0,0,0,0|1,0,0]=3 561 B9R1.23 CC1=C(Br)SC(C=O)=C1 B14087 [1,1,0,0,0,0|2,0,0]=4 562 B9R1.132 CC1=CNC(C=O)=C1C D12049 [1,1,0,0,0,0|2,0,0]=4 563 B9R1.132 CC1=NC=C(C=O)N1C D61627 [1,1,0,0,0,0|2,0,0]=4 564 B9R1.11 COC(=O)C1=CC=CN1 M11015 [1,1,0,0,0,0|2,0,0]=4 565 B9R1.11 COC(=O)C1=CC=CO1 M39270 [1,1,0,0,0,0|2,0,0]=4 566 B9R1.11 COC(=O)C1=CC=CS1 M42941 [1,1,0,0,0,0|2,0,0]=4 567 B9R1.11 COC(=O)C1=CC=NN1 M12748 [1,1,0,0,0,0|2,0,0]=4 568 B9R1.11 COC(=O)C1=CN=CN1 M14078 [1,1,0,0,0,0|2,0,0]=4 569 B9R1.11 COC(=O)C1=CN=CN1 M41348 [1,1,0,0,0,0|2,0,0]=4 570 B9R1.11 COC(=O)C1=CN=CO1 M40997 [1,1,0,0,0,0|2,0,0]=4 571 B9R1.11 COC(=O)C1=CN=CS1 M2158 [1,1,0,0,0,0|2,0,0]=4 572 B9R1.11 COC(=O)C1=CNC=C1 M37783 [1,1,0,0,0,0|1,0,0]=3 573 B9R1.11 COC(=O)C1=CNN=C1 P8955 [1,1,0,0,0,0|2,0,0]=4 574 B9R1.11 COC(=O)C1=CSC=C1 M12826 [1,1,0,0,0,0|0,0,0]=2 575 B9R1.11 COC(=O)C1=CSC=N1 M2932 [1,1,0,0,0,0|1,0,0]=3 576 B9R1.19 O=S(=O)(Cl)C1=CSC=C1 T69220 [1,1,0,0,0,0|1,0,1]=4 577 B9R1.41 CC(=O)C1=C(C)SC=N1 M43176 [1,1,0,0,0,0|2,0,0]=4 578 B9R1.41 CC(=O)C1=CNC=C1C M67633 [1,1,0,0,0,0|2,0,0]=4 579 B9R1.41 CC1=C(C(=O)O)C=CN1 M39104 [1,1,0,0,0,0|1,0,0]=3 580 B9R1.41 CC1=C(C(=O)O)C=CO1 M63194 [1,1,0,0,0,0|0,1,0]=3 581 B9R1.41 CC1=C(C(=O)O)C=CS1 M36640 [1,1,0,0,0,0|0,0,0]=2 582 B9R1.41 CC1=C(C(=O)O)C=NO1 M2622 [1,1,0,0,0,0|1,1,0]=4 583 B9R1.41 CC1=C(C(=O)O)N=CO1 M3158 [1,1,0,0,0,0|1,1,0]=4 584 B9R1.41 CC1=C(C(=O)O)N=CS1 M3491 [1,1,0,0,0,0|1,0,0]=3 585 B9R1.41 CC1=C(C(=O)O)NC=C1 M43146 [1,1,0,0,0,0|2,0,0]=4 586 B9R1.41 CC1=C(C(=O)O)OC=C1 M42945 [1,1,0,0,0,0|2,0,0]=4 587 B9R1.41 CC1=C(C(=O)O)OC=N1 M38000 [1,1,0,0,0,0|2,0,0]=4 588 B9R1.41 CC1=C(C(=O)O)ON=C1 M40999 [1,1,0,0,0,0|2,0,0]=4 589 B9R1.41 CC1=C(C(=O)O)SC=C1 M42942 [1,1,0,0,0,0|2,0,0]=4 590 B9R1.41 CC1=C(C(=O)O)SC=N1 M67956 [1,1,0,0,0,0|2,0,0]=4 591 B9R1.41 CC1=CNN=C1C(=O)O M41036 [1,1,0,0,0,0|2,0,0]=4 592 B9R1.41 CC1=CSC=C1C(=O)O M25374 [1,1,0,0,0,0|0,0,0]=2 593 B9R1.41 CC1=NNC=C1C(=O)O M9647 [1,1,0,0,0,0|2,0,0]=4 594 B9R1.41 CC1=NOC=C1C(=O)O M21771 [1,1,0,0,0,0|1,1,0]=4 595 B9R1.41 CN1C=CC=C1C(=O)O M68591 [1,1,0,0,0,0|2,0,0]=4 596 B9R1.41 CN1C=NC=C1C(=O)O M2857 [1,1,0,0,0,0|2,0,0]=4 597 B9R1.41 CN1N=CC=C1C(=O)O M3734 [1,1,0,0,0,0|2,0,0]=4 598 B9R1.41 NC(=O)C1=C(N)SC=C1 A41049 [1,1,0,0,0,0|1,0,0]=3 599 B9R1.41 NC(=O)C1=C(N)SC=N1 A40146 [1,1,0,0,0,0|2,0,0]=4 600 B9R1.41 NC(=O)C1=CSC=C1Br B40842 [1,1,0,0,0,0|1,0,0]=3 601 B9R1.41 NC1=CNN=C1C(=O)O A40139 [1,1,0,0,0,0|2,0,0]=4 602 B9R1.41 NC1=NSN=C1C(=O)O A69228 [1,1,0,0,0,0|2,0,0]=4 603 B9R1.41 O=C(O)C1=C(Br)C=CO1 B40689 [1,1,0,0,0,0|2,0,0]=4 604 B9R1.41 O=C(O)C1=C(Br)C=CS1 B10327 [1,1,0,0,0,0|2,0,0]=4 605 B9R1.41 O=C(O)C1=C(Br)C=NN1 B40030 [1,1,0,0,0,0|2,0,0]=4 606 B9R1.41 O=C(O)C1=C(Br)OC=N1 B37246 [1,1,0,0,0,0|1,1,0]=4 607 B9R1.41 O=C(O)C1=C(Br)SC=C1 B37969 [1,1,0,0,0,0|0,0,0]=2 608 B9R1.41 O=C(O)C1=C(Br)SC=N1 B3211 [1,1,0,0,0,0|1,0,0]=3 609 B9R1.41 O=C(O)C1=C(Cl)C=CS1 C12482 [1,1,0,0,0,0|2,0,0]=4 610 B9R1.41 O=C(O)C1=C(Cl)C=NN1 C38651 [1,1,0,0,0,0|2,0,0]=4 611 B9R1.41 O=C(O)C1=C(Cl)C=NS1 C40015 [1,1,0,0,0,0|2,0,0]=4 612 B9R1.41 O=C(O)C1=C(Cl)NN=C1 C40033 [1,1,0,0,0,0|2,0,0]=4 613 B9R1.41 O=C(O)C1=C(Cl)SC=C1 C40686 [1,1,0,0,0,0|0,0,0]=2 614 B9R1.41 O=C(O)C1=C(F)C=CS1 F40687 [1,1,0,0,0,0|2,0,0]=4 615 B9R1.41 O=C(O)C1=C(I)C=NN1 K40036 [1,1,0,0,0,0|2,0,0]=4 616 B9R1.41 O=C(O)C1=C(O)C=CS1 H40863 [1,1,0,0,0,0|2,0,0]=4 617 B9R1.41 O=C(O)C1=CSC=C1Br B11526 [1,1,0,0,0,0|0,0,0]=2 618 B9R1.41 O=C(O)C1=NNC=C1Br B3819 [1,1,0,0,0,0|2,0,0]=4 619 B9R1.41 O=C(O)C1=NSN=C1Cl C63670 [1,1,0,0,0,0|2,0,0]=4 620 B9R1.41 O=[N+]([O-])C1=C(Br)SC=C1 B38294 [1,1,0,0,0,0|1,0,1]=4 621 B9R1.41 O=[N+]([O-])C1=C(Cl)SC=C1 C40014 [1,1,0,0,0,0|1,0,1]=4 622 B9R1.41 OB(O)C1=C(Cl)SC=C1 C40110 [1,1,0,0,0,0|1,0,1]=4 623 B9R1.164 CC1(C)C=C(C(=O)O)C1 D6362 [0,1,0,0,1,0|0,0,2]=4 624 B11R1.3 C#CC1=CC=C(C(=O)O)C=C1 E16325 [0,1,0,0,0,1|1,0,1]=4 625 B11R1.3 C#CC1=CN=C(C(=O)O)C=C1 E47712 [0,1,0,0,0,1|1,0,1]=4 626 B11R1.3 C#CC1=NC=C(C(=O)O)C=C1 E60471 [0,1,0,0,0,1|1,0,1]=4 627 B11R1.3 C=CC1=CC=C(C(=O)O)C=C1 V67904 [0,1,0,0,0,1|1,0,1]=4 628 B11R1.3 CC(=O)C1=CC=C(CBr)C=C1 B36669 [0,1,0,0,0,1|2,0,0]=4 629 B11R1.3 CC(=O)C1=CC=C(CN)C=C1 A52108 [0,1,0,0,0,1|2,0,0]=4 630 B11R1.3 CC(=O)C1=CC=C(CO)C=C1 H49897 [0,1,0,0,0,1|2,0,0]=4 631 B11R1.3 CCC1=CC=C(C(=O)O)C=C1 E61033 [0,1,0,0,0,1|1,0,0]=3 632 B11R1.3 CCC1=CN=C(C(=O)O)C=C1 E49271 [0,1,0,0,0,1|1,0,0]=3 633 B11R1.3 CNC1=CC=C(C(=O)O)C=C1 M60981 [0,1,0,0,0,1|1,0,0]=3 634 B11R1.3 CNC1=CC=C(C(C)=O)C=C1 M50024 [0,1,0,0,0,1|2,0,0]=4 635 B11R1.3 CNC1=NC=C(C(=O)O)C=N1 M43111 [0,1,0,0,0,1|1,0,0]=3 636 B11R1.3 COC1=CC=C(C(=O)O)C=C1 M64803 [0,1,0,0,0,1|1,0,0]=3 637 B11R1.3 COC1=CC=C(C(N)=O)C=C1 M49268 [0,1,0,0,0,1|2,0,0]=4 638 B11R1.3 COC1=CN=C(C(=O)O)C=C1 M14344 [0,1,0,0,0,1|1,0,0]=3 639 B11R1.3 COC1=CN=C(C(=O)O)C=N1 M23515 [0,1,0,0,0,1|1,0,0]=3 640 B11R1.3 COC1=CN=C(C(C)=O)C=C1 A15229 [0,1,0,0,0,1|2,0,0]=4 641 B11R1.3 COC1=NC=C(C(=O)O)C=C1 M12739 [0,1,0,0,0,1|1,0,0]=3 642 B11R1.3 COC1=NC=C(C(C)=O)C=C1 A49280 [0,1,0,0,0,1|2,0,0]=4 643 B11R1.3 COC1=NC=C(C(C)=O)C=N1 M46010 [0,1,0,0,0,1|2,0,0]=4 644 B11R1.3 COC1=NN=C(C(=O)O)C=C1 M24293 [0,1,0,0,0,1|2,0,0]=4 645 B11R1.3 CSC1=CC=C(C(=O)O)C=C1 M62193 [0,1,0,0,0,1|1,0,0]=3 646 B11R1.3 CSC1=CC=C(C(C)=O)C=C1 M49959 [0,1,0,0,0,1|2,0,0]=4 647 B11R1.3 CSC1=NC=C(C(=O)O)C=N1 M12383 [0,1,0,0,0,1|1,0,0]=3 648 B11R1.3 N#CC1=CN=C(C(=O)O)C=C1 C44349 [0,1,0,0,0,1|1,0,1]=4 649 B11R1.3 N#CC1=CN=C(C(=O)O)C=N1 C37446 [0,1,0,0,0,1|1,0,1]=4 650 B11R1.3 N#CC1=NC=C(C(=O)O)C=C1 C24975 [0,1,0,0,0,1|1,0,1]=4 651 B11R1.3 N#CC1=NC=C(C(=O)O)C=N1 C11341 [0,1,0,0,0,1|1,0,1]=4 652 B11R1.3 NCC1=CC=C(C(=O)O)C=C1 A37814 [0,1,0,0,0,1|1,0,0]=3 653 B11R1.3 NCC1=CC=C(C(N)=O)C=C1 A49493 [0,1,0,0,0,1|2,0,0]=4 654 B11R1.3 NNC1=NC=C(C(=O)O)C=C1 H7591 [0,1,0,0,0,1|2,0,0]=4 655 B11R1.3 O=C(O)C1=CC=C(CO)C=C1 H49094 [0,1,0,0,0,1|1,0,0]=3 656 B11R1.3 O=C(O)C1=NC=C(CO)C=C1 H32219 [0,1,0,0,0,1|1,0,0]=3 657 B11R1.3 O=CC1=CC=C(C(=O)O)C=C1 F69091 [0,1,0,0,0,1|1,0,1]=4 658 B11R1.19 CC1=CC=C(P(=O)(O)O)C=C1 T46447 [0,1,0,0,0,1|2,0,0]=4 659 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 A38483 [0,1,0,0,0,1|2,0,0]=4 660 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 A57393 [0,1,0,0,0,1|2,0,0]=4 661 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 D58072 [0,1,0,0,0,1|2,0,0]=4 662 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 E56561 [0,1,0,0,0,1|2,0,0]=4 663 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 E62577 [0,1,0,0,0,1|2,0,0]=4 664 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 F29658 [0,1,0,0,0,1|2,0,0]=4 665 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 H7302 [0,1,0,0,0,1|2,0,0]=4 666 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 M22571 [0,1,0,0,0,1|2,0,0]=4 667 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 M23344 [0,1,0,0,0,1|2,0,0]=4 668 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 M58073 [0,1,0,0,0,1|2,0,0]=4 669 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 M65363 [0,1,0,0,0,1|2,0,0]=4 670 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 M68821 [0,1,0,0,0,1|2,0,0]=4 671 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 O8459 [0,1,0,0,0,1|2,0,0]=4 672 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 P56560 [0,1,0,0,0,1|2,0,0]=4 673 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 T55432 [0,1,0,0,0,1|2,0,0]=4 674 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 T58548 [0,1,0,0,0,1|2,0,0]=4 675 B11R1.19 CC1=NC=C(S(=O)(=O)O)C=C1 M43169 [0,1,0,0,0,1|2,0,0]=4 676 B11R1.21 CC(=O)C1=CC(Br)=C(C)C=C1 B52032 [0,1,0,0,0,1|2,0,0]=4 677 B11R1.21 CC(=O)C1=CC(Cl)=C(C)C=C1 C61119 [0,1,0,0,0,1|2,0,0]=4 678 B11R1.21 CC(=O)C1=CC(N)=C(C)C=C1 A50026 [0,1,0,0,0,1|2,0,0]=4 679 B11R1.21 CC1=C(Br)C=C(C(=O)O)C=C1 B48570 [0,1,0,0,0,1|1,0,0]=3 680 B11R1.21 CC1=C(Br)C=C(C(=O)O)C=N1 B64856 [0,1,0,0,0,1|1,0,0]=3 681 B11R1.21 CC1=C(Br)C=C(C(=O)O)N=C1 B32388 [0,1,0,0,0,1|1,0,0]=3 682 B11R1.21 CC1=C(Br)C=CC(C(=O)O)=C1 B38437 [0,1,0,0,0,1|2,0,0]=4 683 B11R1.21 CC1=C(Br)C=CC(C(=O)O)=N1 B37042 [0,1,0,0,0,1|2,0,0]=4 684 B11R1.21 CC1=C(Br)C=NC(C(=O)O)=C1 B45347 [0,1,0,0,0,1|2,0,0]=4 685 B11R1.21 CC1=C(C)C=C(C(=O)O)C=C1 D69089 [0,1,0,0,0,1|1,0,0]=3 686 B11R1.21 CC1=C(C)N=C(C(=O)O)C=C1 D49279 [0,1,0,0,0,1|1,0,0]=3 687 B11R1.21 CC1=C(C)N=C(C(=O)O)C=N1 D46015 [0,1,0,0,0,1|1,0,0]=3 688 B11R1.21 CC1=C(Cl)C=C(C(=O)O)C=C1 C48593 [0,1,0,0,0,1|1,0,0]=3 689 B11R1.21 CC1=C(Cl)C=C(C(=O)O)N=C1 C26055 [0,1,0,0,0,1|1,0,0]=3 690 B11R1.21 CC1=C(Cl)C=CC(C(=O)O)=C1 C39491 [0,1,0,0,0,1|2,0,0]=4 691 B11R1.21 CC1=C(F)C=C(C(=O)O)C=C1 F48613 [0,1,0,0,0,1|1,0,0]=3 692 B11R1.21 CC1=C(F)C=C(C(=O)O)C=N1 F61560 [0,1,0,0,0,1|1,0,0]=3 693 B11R1.21 CC1=C(F)C=C(C(=O)O)N=C1 F62992 [0,1,0,0,0,1|1,0,0]=3 694 B11R1.21 CC1=C(F)C=CC(C(=O)O)=C1 F39495 [0,1,0,0,0,1|2,0,0]=4 695 B11R1.21 CC1=C(F)C=CC(C(=O)O)=N1 F37719 [0,1,0,0,0,1|2,0,0]=4 696 B11R1.21 CC1=C(I)C=C(C(=O)O)C=C1 K25553 [0,1,0,0,0,1|1,0,0]=3 697 B11R1.21 CC1=C(I)C=CC(C(=O)O)=C1 K63515 [0,1,0,0,0,1|2,0,0]=4 698 B11R1.21 CC1=C(N)C=CC(C(=O)O)=C1 A39517 [0,1,0,0,0,1|2,0,0]=4 699 B11R1.21 CC1=C(O)C=C(C(=O)O)C=C1 H49095 [0,1,0,0,0,1|1,0,0]=3 700 B11R1.21 CC1=C(O)C=CC(C(=O)O)=C1 H49097 [0,1,0,0,0,1|2,0,0]=4 701 B11R1.21 CC1=CC(C(=O)O)=CN=C1Cl C45358 [0,1,0,0,0,1|2,0,0]=4 702 B11R1.21 CC1=CC(C(=O)O)=CNC1=O M45851 [0,1,0,0,0,1|2,0,0]=4 703 B11R1.21 CC1=CC=C(C(=O)O)N=C1Br B37453 [0,1,0,0,0,1|1,0,0]=3 704 B11R1.21 CC1=CC=C(C(=O)O)N=C1Cl C32429 [0,1,0,0,0,1|1,0,0]=3 705 B11R1.21 CC1=NC(C(=O)O)=CN=C1Cl C42410 [0,1,0,0,0,1|2,0,0]=4 706 B11R1.21 CC1=NC=C(C(=O)O)C=C1N A8134 [0,1,0,0,0,1|1,0,0]=3 707 B11R1.21 CN1C=C(C(=O)O)C=CC1=O D7475 [0,1,0,0,0,1|2,0,0]=4 708 B11R1.21 CN1C=CC(C(=O)O)=CC1=O M0305 [0,1,0,0,0,1|2,0,0]=4 709 B11R1.21 NC1=C(Br)C=C(C(=O)O)C=C1 A45330 [0,1,0,0,0,1|2,0,0]=4 710 B11R1.21 NC1=C(Br)C=C(C(=O)O)C=N1 A21931 [0,1,0,0,0,1|2,0,0]=4 711 B11R1.21 NC1=C(Br)C=CC(C(=O)O)=C1 A45328 [0,1,0,0,0,1|2,0,0]=4 712 B11R1.21 NC1=C(Br)C=NC(C(=O)O)=C1 A12918 [0,1,0,0,0,1|2,0,0]=4 713 B11R1.21 NC1=C(Cl)C=C(C(=O)O)C=C1 A69418 [0,1,0,0,0,1|2,0,0]=4 714 B11R1.21 NC1=C(Cl)C=CC(C(=O)O)=C1 A69510 [0,1,0,0,0,1|2,0,0]=4 715 B11R1.21 NC1=C(Cl)C=CC(C(=O)O)=N1 A42403 [0,1,0,0,0,1|2,0,0]=4 716 B11R1.21 NC1=C(F)C=C(C(=O)O)C=C1 A45379 [0,1,0,0,0,1|2,0,0]=4 717 B11R1.21 NC1=C(F)C=CC(C(=O)O)=C1 A45377 [0,1,0,0,0,1|2,0,0]=4 718 B11R1.21 NC1=C(I)C=C(C(=O)O)C=C1 A45396 [0,1,0,0,0,1|2,0,0]=4 719 B11R1.21 NC1=C(I)C=CC(C(=O)O)=C1 A45395 [0,1,0,0,0,1|2,0,0]=4 720 B11R1.21 NC1=C(O)C=C(C(=O)O)C=C1 A67467 [0,1,0,0,0,1|2,0,0]=4 721 B11R1.21 NC1=CC(C(=O)O)=CN=C1N D43100 [0,1,0,0,0,1|2,0,0]=4 722 B11R1.21 NC1=NC=C(C(=O)O)N=C1Br A1664 [0,1,0,0,0,1|2,0,0]=4 723 B11R1.21 NC1=NC=C(C(=O)O)N=C1I A14604 [0,1,0,0,0,1|2,0,0]=4 724 B11R1.21 O=C(O)C1=CC(=O)C(O)=CN1 H38960 [0,1,0,0,0,1|2,0,0]=4 725 B11R1.21 O=C(O)C1=CC(Br)=C(Br)C=C1 D36700 [0,1,0,0,0,1|2,0,0]=4 726 B11R1.21 O=C(O)C1=CC(Br)=C(Cl)C=C1 B44568 [0,1,0,0,0,1|2,0,0]=4 727 B11R1.21 O=C(O)C1=CC(Br)=C(Cl)N=C1 B3744 [0,1,0,0,0,1|2,0,0]=4 728 B11R1.21 O=C(O)C1=CC(Br)=C(F)C=C1 B39336 [0,1,0,0,0,1|2,0,0]=4 729 B11R1.21 O=C(O)C1=CC(Br)=C(I)C=C1 B44584 [0,1,0,0,0,1|2,0,0]=4 730 B11R1.21 O=C(O)C1=CC(Br)=C(O)N=C1 B3783 [0,1,0,0,0,1|2,0,0]=4 731 B11R1.21 O=C(O)C1=CC(Cl)=C(Br)C=C1 B44571 [0,1,0,0,0,1|2,0,0]=4 732 B11R1.21 O=C(O)C1=CC(Cl)=C(Br)C=N1 B32007 [0,1,0,0,0,1|2,0,0]=4 733 B11R1.21 O=C(O)C1=CC(Cl)=C(Cl)C=N1 D41928 [0,1,0,0,0,1|2,0,0]=4 734 B11R1.21 O=C(O)C1=CC(Cl)=C(F)C=C1 C44591 [0,1,0,0,0,1|2,0,0]=4 735 B11R1.21 O=C(O)C1=CC(Cl)=C(I)C=C1 C38946 [0,1,0,0,0,1|2,0,0]=4 736 B11R1.21 O=C(O)C1=CC(Cl)=C(O)C=C1 C62141 [0,1,0,0,0,1|2,0,0]=4 737 B11R1.21 O=C(O)C1=CC(F)=C(Br)C=C1 B44576 [0,1,0,0,0,1|2,0,0]=4 738 B11R1.21 O=C(O)C1=CC(F)=C(Cl)C=C1 C37845 [0,1,0,0,0,1|2,0,0]=4 739 B11R1.21 O=C(O)C1=CC(F)=C(F)C=C1 D68133 [0,1,0,0,0,1|2,0,0]=4 740 B11R1.21 O=C(O)C1=CC(F)=C(I)C=C1 F36867 [0,1,0,0,0,1|2,0,0]=4 741 B11R1.21 O=C(O)C1=CC(F)=C(O)C=C1 F68105 [0,1,0,0,0,1|2,0,0]=4 742 B11R1.21 O=C(O)C1=CC(I)=C(Br)C=C1 B67829 [0,1,0,0,0,1|2,0,0]=4 743 B11R1.21 O=C(O)C1=CC(I)=C(Cl)C=C1 C44602 [0,1,0,0,0,1|2,0,0]=4 744 B11R1.21 O=C(O)C1=CC(I)=C(Cl)N=C1 C41944 [0,1,0,0,0,1|2,0,0]=4 745 B11R1.21 O=C(O)C1=CC(I)=C(F)C=C1 F44617 [0,1,0,0,0,1|2,0,0]=4 746 B11R1.21 O=C(O)C1=CC(O)=C(Br)C=C1 B45113 [0,1,0,0,0,1|2,0,0]=4 747 B11R1.21 O=C(O)C1=CC(O)=C(Cl)C=C1 C38513 [0,1,0,0,0,1|2,0,0]=4 748 B11R1.21 O=C(O)C1=CC(O)=C(F)C=C1 F24023 [0,1,0,0,0,1|2,0,0]=4 749 B11R1.21 O=C(O)C1=CC(O)=C(I)C=C1 H45126 [0,1,0,0,0,1|2,0,0]=4 750 B11R1.21 O=C(O)C1=CC=C(Br)C(Br)=N1 D41898 [0,1,0,0,0,1|2,0,0]=4 751 B11R1.21 O=C(O)C1=CC=C(Cl)C(=O)N1 C42277 [0,1,0,0,0,1|2,0,0]=4 752 B11R1.21 O=C(O)C1=CC=C(Cl)C(Br)=N1 B41907 [0,1,0,0,0,1|2,0,0]=4 753 B11R1.21 O=C(O)C1=CC=C(Cl)C(Cl)=N1 D32272 [0,1,0,0,0,1|2,0,0]=4 754 B11R1.21 O=C(O)C1=CC=C(F)C(Br)=N1 B16286 [0,1,0,0,0,1|2,0,0]=4 755 B11R1.21 O=C(O)C1=CC=C(F)C(Cl)=N1 C36953 [0,1,0,0,0,1|2,0,0]=4 756 B11R1.21 O=C(O)C1=CN=C(Br)C(Br)=C1 D41897 [0,1,0,0,0,1|2,0,0]=4 757 B11R1.21 O=C(O)C1=CN=C(Br)C(F)=C1 B15602 [0,1,0,0,0,1|2,0,0]=4 758 B11R1.21 O=C(O)C1=CN=C(Cl)C(Cl)=C1 D15565 [0,1,0,0,0,1|2,0,0]=4 759 B11R1.21 O=C(O)C1=CN=C(Cl)C(Cl)=N1 D40472 [0,1,0,0,0,1|2,0,0]=4 760 B11R1.21 O=C(O)C1=CN=C(F)C(F)=C1 D11881 [0,1,0,0,0,1|2,0,0]=4 761 B11R1.21 O=C(O)C1=NC(O)=C(Br)C=C1 B37386 [0,1,0,0,0,1|2,0,0]=4 762 B11R1.22 CC1=CC=C(C(=O)C=O)C=C1 X51560 [0,1,0,0,0,1|1,0,1]=4 763 B11R1.22 CC1=CC=C(C(=O)CBr)C=C1 B52024 [0,1,0,0,0,1|2,0,0]=4 764 B11R1.22 CC1=CC=C(C(=O)CN)C=C1 A52107 [0,1,0,0,0,1|2,0,0]=4 765 B11R1.22 CC1=CC=C(C(=O)NN)C=C1 T46647 [0,1,0,0,0,1|2,0,0]=4 766 B11R1.22 COC(=O)C1=CC=C(Br)C=C1 M39489 [0,1,0,0,0,1|2,0,0]=4 767 B11R1.22 COC(=O)C1=CC=C(C)C=C1 M60598 [0,1,0,0,0,1|1,0,0]=3 768 B11R1.22 COC(=O)C1=CC=C(Cl)C=C1 M64818 [0,1,0,0,0,1|2,0,0]=4 769 B11R1.22 COC(=O)C1=CC=C(F)C=C1 M67923 [0,1,0,0,0,1|2,0,0]=4 770 B11R1.22 COC(=O)C1=CN=C(Br)C=C1 M0015 [0,1,0,0,0,1|2,0,0]=4 771 B11R1.22 COC(=O)C1=CN=C(Br)C=N1 M8884 [0,1,0,0,0,1|2,0,0]=4 772 B11R1.22 COC(=O)C1=CN=C(C)C=C1 M13760 [0,1,0,0,0,1|1,0,0]=3 773 B11R1.22 COC(=O)C1=CN=C(C)N=C1 M12380 [0,1,0,0,0,1|1,0,0]=3 774 B11R1.22 COC(=O)C1=CN=C(Cl)C=C1 M39382 [0,1,0,0,0,1|2,0,0]=4 775 B11R1.22 COC(=O)C1=CN=C(Cl)C=N1 M1561 [0,1,0,0,0,1|2,0,0]=4 776 B11R1.22 COC(=O)C1=CN=C(Cl)N=C1 M1662 [0,1,0,0,0,1|2,0,0]=4 777 B11R1.22 COC(=O)C1=CN=C(F)C=C1 M4740 [0,1,0,0,0,1|2,0,0]=4 778 B11R1.22 COC(=O)C1=CN=C(N)N=C1 M14282 [0,1,0,0,0,1|2,0,0]=4 779 B11R1.22 COC(=O)C1=CNC(=O)C=C1 M7692 [0,1,0,0,0,1|2,0,0]=4 780 B11R1.22 COC(=O)C1=CNC(=O)N=C1 M43427 [0,1,0,0,0,1|2,0,0]=4 781 B11R1.22 COC(=O)C1=COC(=O)C=C1 M38530 [0,1,0,0,0,1|1,1,0]=4 782 B11R1.22 COC(=O)C1=NC=C(Br)C=C1 M10296 [0,1,0,0,0,1|2,0,0]=4 783 B11R1.22 COC(=O)C1=NC=C(C)C=C1 M22900 [0,1,0,0,0,1|1,0,0]=3 784 B11R1.22 COC(=O)C1=NC=C(C)C=N1 M10612 [0,1,0,0,0,1|2,0,0]=4 785 B11R1.22 COC(=O)C1=NC=C(C)N=C1 M46011 [0,1,0,0,0,1|1,0,0]=3 786 B11R1.22 COC(=O)C1=NC=C(Cl)C=C1 M45366 [0,1,0,0,0,1|2,0,0]=4 787 B11R1.22 COC(=O)C1=NC=C(F)C=C1 M16415 [0,1,0,0,0,1|2,0,0]=4 788 B11R1.22 COC(=O)C1=NC=C(I)C=C1 M45392 [0,1,0,0,0,1|2,0,0]=4 789 B11R1.22 COC(=O)C1=NC=C(N)C=C1 M0251 [0,1,0,0,0,1|2,0,0]=4 790 B11R1.22 COC(=O)C1=NC=C(N)N=C1 A0342 [0,1,0,0,0,1|2,0,0]=4 791 B11R1.22 COC(=O)C1=NC=C(N)N=C1 M19340 [0,1,0,0,0,1|2,0,0]=4 792 B11R1.22 COC(=O)C1=NC=C(O)C=C1 M7706 [0,1,0,0,0,1|2,0,0]=4 793 B11R1.22 COC(=O)C1=NC=C(O)N=C1 M12387 [0,1,0,0,0,1|2,0,0]=4 794 B11R1.166 CC(=O)C1=C(C)C=C(C)C=C1 D68875 [0,1,0,0,0,1|2,0,0]=4 795 B11R1.166 CC(=O)C1=C(N)C=C(C)C=C1 A50025 [0,1,0,0,0,1|2,0,0]=4 796 B11R1.166 CC1=C(C(=O)O)C=CC(Br)=C1 B24914 [0,1,0,0,0,1|2,0,0]=4 797 B11R1.166 CC1=C(C(=O)O)C=CC(Br)=N1 B45337 [0,1,0,0,0,1|2,0,0]=4 798 B11R1.166 CC1=C(C(=O)O)C=CC(Cl)=C1 C38469 [0,1,0,0,0,1|2,0,0]=4 799 B11R1.166 CC1=C(C(=O)O)C=CC(Cl)=N1 C19139 [0,1,0,0,0,1|2,0,0]=4 800 B11R1.166 CC1=C(C(=O)O)C=CC(F)=C1 F48615 [0,1,0,0,0,1|2,0,0]=4 801 B11R1.166 CC1=C(C(=O)O)C=CC(F)=N1 F45382 [0,1,0,0,0,1|2,0,0]=4 802 B11R1.166 CC1=C(C(=O)O)C=CC(N)=C1 A49284 [0,1,0,0,0,1|2,0,0]=4 803 B11R1.166 CC1=C(C(=O)O)C=CC(O)=C1 H68873 [0,1,0,0,0,1|2,0,0]=4 804 B11R1.166 CC1=C(C(=O)O)C=NC(Cl)=N1 C8877 [0,1,0,0,0,1|2,0,0]=4 805 B11R1.166 CC1=C(C(=O)O)C=NC(N)=C1 A60535 [0,1,0,0,0,1|2,0,0]=4 806 B11R1.166 CC1=CC(Br)=C(C(=O)O)C=C1 B25317 [0,1,0,0,0,1|1,0,0]=3 807 B11R1.166 CC1=CC(Br)=C(C(=O)O)N=C1 B45334 [0,1,0,0,0,1|1,0,0]=3 808 B11R1.166 CC1=CC(Br)=CN=C1C(=O)O B38539 [0,1,0,0,0,1|2,0,0]=4 809 B11R1.166 CC1=CC(C)=C(C(=O)O)C=N1 D49278 [0,1,0,0,0,1|1,0,0]=3 810 B11R1.166 CC1=CC(Cl)=C(C(=O)O)C=C1 C38447 [0,1,0,0,0,1|1,0,0]=3 811 B11R1.166 CC1=CC(Cl)=C(C(=O)O)C=N1 C12703 [0,1,0,0,0,1|1,0,0]=3 812 B11R1.166 CC1=CC(Cl)=CN=C1C(=O)O C45367 [0,1,0,0,0,1|2,0,0]=4 813 B11R1.166 CC1=CC(Cl)=NC=C1C(=O)O C23967 [0,1,0,0,0,1|2,0,0]=4 814 B11R1.166 CC1=CC(F)=C(C(=O)O)C=C1 F48610 [0,1,0,0,0,1|1,0,0]=3 815 B11R1.166 CC1=CC(F)=C(C(=O)O)N=C1 F11219 [0,1,0,0,0,1|1,0,0]=3 816 B11R1.166 CC1=CC(F)=NC=C1C(=O)O F45383 [0,1,0,0,0,1|2,0,0]=4 817 B11R1.166 CC1=CC(I)=C(C(=O)O)C=C1 K61454 [0,1,0,0,0,1|1,0,0]=3 818 B11R1.166 CC1=CC(N)=C(C(=O)O)C=C1 A49282 [0,1,0,0,0,1|1,0,0]=3 819 B11R1.166 CC1=CC(N)=C(C(=O)O)C=N1 A12850 [0,1,0,0,0,1|1,0,0]=3 820 B11R1.166 CC1=CC(N)=C(C(N)=O)C=C1 A46651 [0,1,0,0,0,1|2,0,0]=4 821 B11R1.166 CC1=CC(O)=C(C(=O)O)C=C1 M68144 [0,1,0,0,0,1|1,0,0]=3 822 B11R1.166 CC1=CC(O)=C(C(=O)O)C=N1 H39399 [0,1,0,0,0,1|1,0,0]=3 823 B11R1.166 CC1=CC=C(C(=O)O)C(Cl)=N1 C10451 [0,1,0,0,0,1|1,0,0]=3 824 B11R1.166 CC1=CN=C(C(=O)O)C(C)=N1 D46013 [0,1,0,0,0,1|1,0,0]=3 825 B11R1.166 CC1=NC(C)=C(C(=O)O)C=C1 D61273 [0,1,0,0,0,1|1,0,0]=3 826 B11R1.166 CC1=NC(C)=C(C(=O)O)C=N1 D46016 [0,1,0,0,0,1|1,0,0]=3 827 B11R1.166 CC1=NC(N)=C(C(=O)O)C=C1 A10622 [0,1,0,0,0,1|1,0,0]=3 828 B11R1.166 CC1=NC(N)=C(C(=O)O)C=N1 A62547 [0,1,0,0,0,1|1,0,0]=3 829 B11R1.166 CC1=NC(O)=C(C(=O)O)C=C1 H45847 [0,1,0,0,0,1|1,0,0]=3 830 B11R1.166 NC1=C(C(=O)O)C=CC(Br)=C1 A22277 [0,1,0,0,0,1|2,0,0]=4 831 B11R1.166 NC1=C(C(=O)O)C=CC(Br)=N1 A42389 [0,1,0,0,0,1|2,0,0]=4 832 B11R1.166 NC1=C(C(=O)O)C=CC(Cl)=C1 A64964 [0,1,0,0,0,1|2,0,0]=4 833 B11R1.166 NC1=C(C(=O)O)C=CC(Cl)=N1 A0415 [0,1,0,0,0,1|2,0,0]=4 834 B11R1.166 NC1=C(C(=O)O)C=CC(F)=C1 A39388 [0,1,0,0,0,1|2,0,0]=4 835 B11R1.166 NC1=C(C(=O)O)C=CC(I)=C1 A45394 [0,1,0,0,0,1|2,0,0]=4 836 B11R1.166 NC1=C(C(=O)O)C=CC(O)=C1 A45838 [0,1,0,0,0,1|2,0,0]=4 837 B11R1.166 NC1=CC(Br)=CN=C1C(=O)O A0231 [0,1,0,0,0,1|2,0,0]=4 838 B11R1.166 NC1=CC(Br)=CN=C1C(=O)O A20229 [0,1,0,0,0,1|2,0,0]=4 839 B11R1.166 NC1=CC(Cl)=C(C(=O)O)C=C1 A69021 [0,1,0,0,0,1|2,0,0]=4 840 B11R1.166 NC1=CC(Cl)=C(C(=O)O)C=N1 A42402 [0,1,0,0,0,1|2,0,0]=4 841 B11R1.166 NC1=CC(Cl)=CN=C1C(=O)O A7927 [0,1,0,0,0,1|2,0,0]=4 842 B11R1.166 NC1=CC(Cl)=CN=C1C(=O)O A8132 [0,1,0,0,0,1|2,0,0]=4 843 B11R1.166 NC1=CC(Cl)=NC=C1C(=O)O A10470 [0,1,0,0,0,1|2,0,0]=4 844 B11R1.166 NC1=CC(F)=C(C(=O)O)C=C1 A45378 [0,1,0,0,0,1|2,0,0]=4 845 B11R1.166 NC1=CC(F)=NC=C1C(=O)O A10496 [0,1,0,0,0,1|2,0,0]=4 846 B11R1.166 NC1=CC(O)=C(C(=O)O)C=C1 A69652 [0,1,0,0,0,1|2,0,0]=4 847 B11R1.166 O=C(O)C1=C(Br)C=C(Br)C=C1 D44562 [0,1,0,0,0,1|2,0,0]=4 848 B11R1.166 O=C(O)C1=C(Br)C=C(Br)C=N1 D61446 [0,1,0,0,0,1|2,0,0]=4 849 B11R1.166 O=C(O)C1=C(Br)C=C(Cl)C=C1 B26650 [0,1,0,0,0,1|2,0,0]=4 850 B11R1.166 O=C(O)C1=C(Br)C=C(Cl)C=N1 B5201 [0,1,0,0,0,1|2,0,0]=4 851 B11R1.166 O=C(O)C1=C(Br)C=C(Cl)N=C1 B41904 [0,1,0,0,0,1|2,0,0]=4 852 B11R1.166 O=C(O)C1=C(Br)C=C(F)C=C1 B27964 [0,1,0,0,0,1|2,0,0]=4 853 B11R1.166 O=C(O)C1=C(Br)C=C(F)C=N1 B41919 [0,1,0,0,0,1|2,0,0]=4 854 B11R1.166 O=C(O)C1=C(Br)C=C(I)C=C1 B44582 [0,1,0,0,0,1|2,0,0]=4 855 B11R1.166 O=C(O)C1=C(Br)C=C(O)C=C1 B45109 [0,1,0,0,0,1|2,0,0]=4 856 B11R1.166 O=C(O)C1=C(Cl)C=C(Br)C=C1 B44570 [0,1,0,0,0,1|2,0,0]=4 857 B11R1.166 O=C(O)C1=C(Cl)C=C(Cl)C=C1 D68555 [0,1,0,0,0,1|2,0,0]=4 858 B11R1.166 O=C(O)C1=C(Cl)C=C(Cl)C=N1 D4555 [0,1,0,0,0,1|2,0,0]=4 859 B11R1.166 O=C(O)C1=C(Cl)C=C(F)C=N1 C41937 [0,1,0,0,0,1|2,0,0]=4 860 B11R1.166 O=C(O)C1=C(Cl)C=C(O)C=C1 C45116 [0,1,0,0,0,1|2,0,0]=4 861 B11R1.166 O=C(O)C1=C(Cl)C=C(O)C=C1 C45121 [0,1,0,0,0,1|2,0,0]=4 862 B11R1.166 O=C(O)C1=C(Cl)C=C(O)N=C1 C42274 [0,1,0,0,0,1|2,0,0]=4 863 B11R1.166 O=C(O)C1=C(F)C=C(Br)C=C1 B36989 [0,1,0,0,0,1|2,0,0]=4 864 B11R1.166 O=C(O)C1=C(F)C=C(Cl)C=C1 C23721 [0,1,0,0,0,1|2,0,0]=4 865 B11R1.166 O=C(O)C1=C(F)C=C(F)C=C1 D39341 [0,1,0,0,0,1|2,0,0]=4 866 B11R1.166 O=C(O)C1=C(F)C=C(F)C=N1 D25175 [0,1,0,0,0,1|2,0,0]=4 867 B11R1.166 O=C(O)C1=C(F)C=C(I)C=C1 F44613 [0,1,0,0,0,1|2,0,0]=4 868 B11R1.166 O=C(O)C1=C(F)C=C(O)C=C1 F38868 [0,1,0,0,0,1|2,0,0]=4 869 B11R1.166 O=C(O)C1=C(F)N=C(Br)C=C1 B67337 [0,1,0,0,0,1|2,0,0]=4 870 B11R1.166 O=C(O)C1=C(F)N=C(Cl)C=C1 C41938 [0,1,0,0,0,1|2,0,0]=4 871 B11R1.166 O=C(O)C1=C(I)C=C(Br)C=C1 B37202 [0,1,0,0,0,1|2,0,0]=4 872 B11R1.166 O=C(O)C1=C(I)C=C(Cl)C=C1 C44601 [0,1,0,0,0,1|2,0,0]=4 873 B11R1.166 O=C(O)C1=C(I)C=C(F)C=C1 F44616 [0,1,0,0,0,1|2,0,0]=4 874 B11R1.166 O=C(O)C1=C(O)C=C(Br)C=C1 B45112 [0,1,0,0,0,1|2,0,0]=4 875 B11R1.166 O=C(O)C1=C(O)C=C(F)C=C1 F45124 [0,1,0,0,0,1|2,0,0]=4 876 B11R1.166 O=C(O)C1=C(O)N=C(Cl)C=C1 C42275 [0,1,0,0,0,1|2,0,0]=4 877 B11R1.166 O=C(O)C1=CC=C(Br)N=C1Br D12540 [0,1,0,0,0,1|2,0,0]=4 878 B11R1.166 O=C(O)C1=CC=C(Cl)N=C1Cl D41927 [0,1,0,0,0,1|2,0,0]=4 879 B11R1.166 O=C(O)C1=CC=C(F)N=C1Cl C41936 [0,1,0,0,0,1|2,0,0]=4 880 B11R1.166 O=C(O)C1=CC=C(F)N=C1F D41950 [0,1,0,0,0,1|2,0,0]=4 881 B11R1.166 O=C(O)C1=CC=C(O)N=C1Cl C23393 [0,1,0,0,0,1|2,0,0]=4 882 B11R1.166 O=C(O)C1=CN=C(Br)C=C1Br D41896 [0,1,0,0,0,1|2,0,0]=4 883 B11R1.166 O=C(O)C1=CN=C(Br)C=C1Cl B41906 [0,1,0,0,0,1|2,0,0]=4 884 B11R1.166 O=C(O)C1=CN=C(Cl)C=C1Cl D25092 [0,1,0,0,0,1|2,0,0]=4 885 B11R1.166 O=C(O)C1=CNC(=S)NC1=O X40764 [0,1,0,0,0,1|2,0,0]=4 886 B11R1.166 O=C(O)C1=NC=C(Br)C=C1Cl B5199 [0,1,0,0,0,1|2,0,0]=4 887 B11R1.166 O=C(O)C1=NC=C(Br)C=C1F B5198 [0,1,0,0,0,1|2,0,0]=4 888 B11R1.166 O=C(O)C1=NC=C(Cl)C=C1F C5197 [0,1,0,0,0,1|2,0,0]=4 889 B11R1.166 O=C(O)C1=NC=C(Cl)N=C1Cl D11543 [0,1,0,0,0,1|2,0,0]=4 890 B11R1.166 O=C1C=C(O)C(C(=O)O)=CN1 H42617 [0,1,0,0,0,1|2,0,0]=4 891 B11R1.166 O=C1NC=C(C(=O)O)C(=O)N1 D10886 [0,1,0,0,0,1|2,0,0]=4 892 B11R1.39 COC(=O)CC1=CSC(N)=N1 M24727 [0,1,0,0,0,1|2,0,0]=4 893 B11R1.314 NC1=NC(C(=O)C(=O)O)=CS1 A40763 [0,1,0,0,0,1|2,0,0]=4 894 B11R1.645 CC1=NC(C)=C(CC(=O)O)S1 D29808 [0,1,0,0,0,1|2,0,0]=4 895 B11R1.645 CC1=NC(CC(=O)O)=C(C)S1 D62061 [0,1,0,0,0,1|1,0,0]=3 896 B11R1.23 CC1=CC=CC(C(=O)CBr)=C1 B52023 [0,1,0,0,0,1|2,0,0]=4 897 B11R1.23 CC1=CC=CC(C(=O)NN)=C1 M46653 [0,1,0,0,0,1|2,0,0]=4 898 B11R1.23 COC(=O)C1=CC(=O)C=CN1 M45849 [0,1,0,0,0,1|2,0,0]=4 899 B11R1.23 COC(=O)C1=CC(=O)N=CN1 M42791 [0,1,0,0,0,1|2,0,0]=4 900 B11R1.23 COC(=O)C1=CC(=O)NC=C1 M1682 [0,1,0,0,0,1|2,0,0]=4 901 B11R1.23 COC(=O)C1=CC(=O)NN=C1 M42790 [0,1,0,0,0,1|2,0,0]=4 902 B11R1.23 COC(=O)C1=CC(Br)=CN=C1 M12724 [0,1,0,0,0,1|2,0,0]=4 903 B11R1.23 COC(=O)C1=CC(Br)=NC=C1 M22704 [0,1,0,0,0,1|2,0,0]=4 904 B11R1.23 COC(=O)C1=CC(C)=NC=C1 M67329 [0,1,0,0,0,1|1,0,0]=3 905 B11R1.23 COC(=O)C1=CC(Cl)=CN=C1 M60826 [0,1,0,0,0,1|2,0,0]=4 906 B11R1.23 COC(=O)C1=CC(Cl)=NC=C1 M0407 [0,1,0,0,0,1|2,0,0]=4 907 B11R1.23 COC(=O)C1=CC(Cl)=NC=N1 M24785 [0,1,0,0,0,1|2,0,0]=4 908 B11R1.23 COC(=O)C1=CC(Cl)=NN=C1 M11604 [0,1,0,0,0,1|2,0,0]=4 909 B11R1.23 COC(=O)C1=CC(F)=CN=C1 M0721 [0,1,0,0,0,1|2,0,0]=4 910 B11R1.23 COC(=O)C1=CC(F)=NC=C1 M23752 [0,1,0,0,0,1|2,0,0]=4 911 B11R1.23 COC(=O)C1=CC(N)=CC=C1 M69084 [0,1,0,0,0,1|2,0,0]=4 912 B11R1.23 COC(=O)C1=CC(N)=NC=C1 M4534 [0,1,0,0,0,1|2,0,0]=4 913 B11R1.23 COC(=O)C1=CC(O)=CC=C1 M37841 [0,1,0,0,0,1|2,0,0]=4 914 B11R1.23 COC(=O)C1=CC=CC(Br)=C1 M48565 [0,1,0,0,0,1|2,0,0]=4 915 B11R1.23 COC(=O)C1=CC=CC(Cl)=C1 M22864 [0,1,0,0,0,1|2,0,0]=4 916 B11R1.23 COC(=O)C1=CC=CC(F)=C1 M39493 [0,1,0,0,0,1|2,0,0]=4 917 B11R1.23 COC(=O)C1=CC=CC(I)=C1 M48629 [0,1,0,0,0,1|2,0,0]=4 918 B11R1.23 COC(=O)C1=CN=CC(C)=C1 M12907 [0,1,0,0,0,1|1,0,0]=3 919 B11R1.23 COC(=O)C1=CN=CC(N)=C1 M14137 [0,1,0,0,0,1|2,0,0]=4 920 B11R1.23 COC(=O)C1=CN=CC(O)=C1 M61635 [0,1,0,0,0,1|2,0,0]=4 921 B11R1.23 COC(=O)C1=CN=CC(O)=C1 M9186 [0,1,0,0,0,1|2,0,0]=4 922 B11R1.23 COC(=O)C1=NC(C)=CC=C1 M49292 [0,1,0,0,0,1|2,0,0]=4 923 B11R1.23 COC(=O)C1=NC(C)=CC=N1 M23011 [0,1,0,0,0,1|2,0,0]=4 924 B11R1.23 COC(=O)C1=NC(C)=CN=C1 M46012 [0,1,0,0,0,1|2,0,0]=4 925 B11R1.23 COC(=O)C1=NC=CC(Br)=C1 M1665 [0,1,0,0,0,1|2,0,0]=4 926 B11R1.23 COC(=O)C1=NC=CC(C)=C1 M49276 [0,1,0,0,0,1|1,0,0]=3 927 B11R1.23 COC(=O)C1=NC=CC(Cl)=C1 M0974 [0,1,0,0,0,1|2,0,0]=4 928 B11R1.23 COC(=O)C1=NC=CC(Cl)=C1 M7541 [0,1,0,0,0,1|2,0,0]=4 929 B11R1.23 COC(=O)C1=NC=CC(I)=C1 M1513 [0,1,0,0,0,1|2,0,0]=4 930 B11R1.23 COC(=O)C1=NC=CC(N)=C1 M0975 [0,1,0,0,0,1|2,0,0]=4 931 B11R1.23 COC(=O)C1=NC=NC(C)=C1 M14453 [0,1,0,0,0,1|1,0,0]=3 932 B11R1.23 COC(=O)C1=NC=NC(N)=C1 M12144 [0,1,0,0,0,1|2,0,0]=4 933 B11R1.23 COC(=O)C1=NN=CC(C)=C1 M27709 [0,1,0,0,0,1|2,0,0]=4 934 B11R1.74 CC(=O)C1=CC(C)=CC(Br)=C1 B52033 [0,1,0,0,0,1|2,0,0]=4 935 B11R1.74 CC(=O)C1=CC(C)=CC(C)=C1 D52785 [0,1,0,0,0,1|2,0,0]=4 936 B11R1.74 CC(=O)C1=CC(O)=CC(C)=C1 H49902 [0,1,0,0,0,1|2,0,0]=4 937 B11R1.74 CC1=CC(Br)=CC(C(=O)O)=C1 B48571 [0,1,0,0,0,1|1,0,0]=3 938 B11R1.74 CC1=CC(C(=O)O)=CC(Br)=N1 B63466 [0,1,0,0,0,1|1,0,0]=3 939 B11R1.74 CC1=CC(C(=O)O)=CC(C)=N1 D24167 [0,1,0,0,0,1|1,0,0]=3 940 B11R1.74 CC1=CC(C(=O)O)=CC(Cl)=N1 C14183 [0,1,0,0,0,1|1,0,0]=3 941 B11R1.74 CC1=CC(C(=O)O)=CC(N)=C1 A49283 [0,1,0,0,0,1|1,0,0]=3 942 B11R1.74 CC1=CC(C(=O)O)=CC(N)=N1 A12069 [0,1,0,0,0,1|1,0,0]=3 943 B11R1.74 CC1=CC(C(=O)O)=CC(O)=C1 H49096 [0,1,0,0,0,1|1,0,0]=3 944 B11R1.74 CC1=CC(C(=O)O)=CC(O)=N1 H45844 [0,1,0,0,0,1|1,0,0]=3 945 B11R1.74 CC1=CC(Cl)=CC(C(=O)O)=C1 C48594 [0,1,0,0,0,1|1,0,0]=3 946 B11R1.74 CC1=CC(Cl)=CC(C(=O)O)=N1 C45370 [0,1,0,0,0,1|2,0,0]=4 947 B11R1.74 CC1=CC(Cl)=NC(C(=O)O)=C1 C45368 [0,1,0,0,0,1|1,0,0]=3 948 B11R1.74 CC1=CC(F)=CC(C(=O)O)=C1 F48614 [0,1,0,0,0,1|1,0,0]=3 949 B11R1.74 CC1=CC(I)=CC(C(=O)O)=C1 K48633 [0,1,0,0,0,1|1,0,0]=3 950 B11R1.74 CC1=NC(C(=O)O)=CC(=O)N1 M61613 [0,1,0,0,0,1|2,0,0]=4 951 B11R1.74 NC1=CC(C(=O)O)=CC(Br)=C1 A45329 [0,1,0,0,0,1|2,0,0]=4 952 B11R1.74 NC1=CC(C(=O)O)=CC(Cl)=C1 A45354 [0,1,0,0,0,1|2,0,0]=4 953 B11R1.74 NC1=CC(C(=O)O)=CC(F)=C1 A38712 [0,1,0,0,0,1|2,0,0]=4 954 B11R1.74 NC1=CC(C(=O)O)=CC(O)=C1 A46552 [0,1,0,0,0,1|2,0,0]=4 955 B11R1.74 O=C(O)C1=CC(Br)=CC(Br)=C1 D39333 [0,1,0,0,0,1|2,0,0]=4 956 B11R1.74 O=C(O)C1=CC(Br)=CC(Cl)=C1 B44569 [0,1,0,0,0,1|2,0,0]=4 957 B11R1.74 O=C(O)C1=CC(Br)=CC(Cl)=N1 B32412 [0,1,0,0,0,1|2,0,0]=4 958 B11R1.74 O=C(O)C1=CC(Br)=CC(F)=C1 B44575 [0,1,0,0,0,1|2,0,0]=4 959 B11R1.74 O=C(O)C1=CC(Br)=CC(O)=C1 B68739 [0,1,0,0,0,1|2,0,0]=4 960 B11R1.74 O=C(O)C1=CC(Br)=NC(Br)=C1 D11893 [0,1,0,0,0,1|2,0,0]=4 961 B11R1.74 O=C(O)C1=CC(Cl)=CC(Br)=N1 B32061 [0,1,0,0,0,1|2,0,0]=4 962 B11R1.74 O=C(O)C1=CC(Cl)=CC(Cl)=C1 D64931 [0,1,0,0,0,1|2,0,0]=4 963 B11R1.74 O=C(O)C1=CC(Cl)=CC(Cl)=N1 D26222 [0,1,0,0,0,1|2,0,0]=4 964 B11R1.74 O=C(O)C1=CC(Cl)=CC(F)=C1 C44592 [0,1,0,0,0,1|2,0,0]=4 965 B11R1.74 O=C(O)C1=CC(Cl)=CC(O)=C1 C45119 [0,1,0,0,0,1|2,0,0]=4 966 B11R1.74 O=C(O)C1=CC(F)=CC(F)=C1 D68859 [0,1,0,0,0,1|2,0,0]=4 967 B11R1.74 O=C(O)C1=CC(F)=CC(O)=C1 F45123 [0,1,0,0,0,1|2,0,0]=4 968 B11R1.74 O=C(O)C1=CC(F)=NC(F)=C1 D10069 [0,1,0,0,0,1|2,0,0]=4 969 B11R1.74 O=C(O)C1=CC(I)=CC(Br)=C1 B44585 [0,1,0,0,0,1|2,0,0]=4 970 B11R1.74 O=C(O)C1=CC(I)=CC(Cl)=C1 C44600 [0,1,0,0,0,1|2,0,0]=4 971 B11R1.74 O=C(O)C1=CC(I)=CC(F)=C1 F36855 [0,1,0,0,0,1|2,0,0]=4 972 B11R1.74 O=C(O)C1=CC(I)=CC(I)=C1 D44618 [0,1,0,0,0,1|2,0,0]=4 973 B11R1.74 O=C1C=C(C(=O)O)C=C(Cl)N1 C42278 [0,1,0,0,0,1|2,0,0]=4 974 B11R1.155 CC1=CC(S(=O)(=O)O)=CN=C1 M43168 [0,1,0,0,0,1|2,0,0]=4 975 B11R1.159 CC(=O)C1=C(C)C(C)=CC=C1 D52783 [0,1,0,0,0,1|2,0,0]=4 976 B11R1.159 CC(=O)C1=C(F)C(C)=CC=C1 F52047 [0,1,0,0,0,1|2,0,0]=4 977 B11R1.159 CC(=O)C1=C(O)C(C)=CC=C1 H27971 [0,1,0,0,0,1|2,0,0]=4 978 B11R1.159 CC1=C(Br)C=CC=C1C(=O)O B48569 [0,1,0,0,0,1|2,0,0]=4 979 B11R1.159 CC1=C(Br)C=CN=C1C(=O)O B45335 [0,1,0,0,0,1|2,0,0]=4 980 B11R1.159 CC1=C(C(=O)O)C=CC=C1N A39516 [0,1,0,0,0,1|2,0,0]=4 981 B11R1.159 CC1=C(C(=O)O)C=CC=C1O H69264 [0,1,0,0,0,1|2,0,0]=4 982 B11R1.159 CC1=C(C(=O)O)C=CN=C1Br B63227 [0,1,0,0,0,1|2,0,0]=4 983 B11R1.159 CC1=C(C(=O)O)C=CN=C1Cl C61352 [0,1,0,0,0,1|2,0,0]=4 984 B11R1.159 CC1=C(Cl)C=CC=C1C(=O)O C67478 [0,1,0,0,0,1|2,0,0]=4 985 B11R1.159 CC1=C(F)C=CC=C1C(=O)O F38507 [0,1,0,0,0,1|2,0,0]=4 986 B11R1.159 CC1=CC=CC(C(=O)O)=C1Br B48566 [0,1,0,0,0,1|1,0,0]=3 987 B11R1.159 CC1=CC=CC(C(=O)O)=C1C D65554 [0,1,0,0,0,1|1,0,0]=3 988 B11R1.159 CC1=CC=CC(C(=O)O)=C1Cl C48591 [0,1,0,0,0,1|1,0,0]=3 989 B11R1.159 CC1=CC=CC(C(=O)O)=C1F F48609 [0,1,0,0,0,1|1,0,0]=3 990 B11R1.159 CC1=CC=CC(C(=O)O)=C1I K48632 [0,1,0,0,0,1|1,0,0]=3 991 B11R1.159 CC1=CC=CC(C(=O)[O-])=C1O C3234 [0,1,0,0,0,1|1,0,1]=4 992 B11R1.159 CC1=CC=CC(C(N)=O)=C1N A46650 [0,1,0,0,0,1|2,0,0]=4 993 B11R1.159 CN1C=CC=C(C(=O)O)C1=O M10301 [0,1,0,0,0,1|2,0,0]=4 994 B11R1.159 NC1=C(Br)C=CC=C1C(=O)O A45327 [0,1,0,0,0,1|2,0,0]=4 995 B11R1.159 NC1=C(Br)C=NC=C1C(=O)O A67805 [0,1,0,0,0,1|2,0,0]=4 996 B11R1.159 NC1=C(C(=O)O)C=CC=C1O A38066 [0,1,0,0,0,1|2,0,0]=4 997 B11R1.159 NC1=C(C(=O)O)C=CN=C1Cl A42405 [0,1,0,0,0,1|2,0,0]=4 998 B11R1.159 NC1=C(Cl)C(C(=O)O)=CC=C1 A45353 [0,1,0,0,0,1|2,0,0]=4 999 B11R1.159 NC1=C(Cl)C(C(=O)O)=NC=N1 A9767 [0,1,0,0,0,1|2,0,0]=4 1000 B11R1.159 NC1=C(Cl)C=CC=C1C(=O)O A39383 [0,1,0,0,0,1|2,0,0]=4 1001 B11R1.159 NC1=C(F)C(C(=O)O)=CC=C1 A45376 [0,1,0,0,0,1|2,0,0]=4 1002 B11R1.159 NC1=C(F)C=CC=C1C(=O)O A45375 [0,1,0,0,0,1|2,0,0]=4 1003 B11R1.159 NC1=C(I)C=CC=C1C(=O)O A45393 [0,1,0,0,0,1|2,0,0]=4 1004 B11R1.159 NC1=CC=CC(C(=O)O)=C1N D45990 [0,1,0,0,0,1|2,0,0]=4 1005 B11R1.159 O=C(O)C1=C(Br)C(Br)=NC=C1 D41902 [0,1,0,0,0,1|2,0,0]=4 1006 B11R1.159 O=C(O)C1=C(Cl)C(Cl)=NC=C1 D21983 [0,1,0,0,0,1|2,0,0]=4 1007 B11R1.159 O=C(O)C1=C(F)C(Br)=NC=C1 B37448 [0,1,0,0,0,1|2,0,0]=4 1008 B11R1.159 O=C(O)C1=C(F)C(Cl)=NC=C1 C41941 [0,1,0,0,0,1|2,0,0]=4 1009 B11R1.159 O=C(O)C1=C(F)C(F)=NC=C1 D14905 [0,1,0,0,0,1|2,0,0]=4 1010 B11R1.159 O=C(O)C1=CC=CC(Br)=C1Br D44561 [0,1,0,0,0,1|2,0,0]=4 1011 B11R1.159 O=C(O)C1=CC=CC(Br)=C1Cl B44567 [0,1,0,0,0,1|2,0,0]=4 1012 B11R1.159 O=C(O)C1=CC=CC(Br)=C1F B14138 [0,1,0,0,0,1|2,0,0]=4 1013 B11R1.159 O=C(O)C1=CC=CC(Br)=C1I B38866 [0,1,0,0,0,1|2,0,0]=4 1014 B11R1.159 O=C(O)C1=CC=CC(Br)=C1O B45111 [0,1,0,0,0,1|2,0,0]=4 1015 B11R1.159 O=C(O)C1=CC=CC(Cl)=C1Br B36699 [0,1,0,0,0,1|2,0,0]=4 1016 B11R1.159 O=C(O)C1=CC=CC(Cl)=C1Cl D39337 [0,1,0,0,0,1|2,0,0]=4 1017 B11R1.159 O=C(O)C1=CC=CC(Cl)=C1F C44590 [0,1,0,0,0,1|2,0,0]=4 1018 B11R1.159 O=C(O)C1=CC=CC(Cl)=C1I C44599 [0,1,0,0,0,1|2,0,0]=4 1019 B11R1.159 O=C(O)C1=CC=CC(Cl)=C1O C45118 [0,1,0,0,0,1|2,0,0]=4 1020 B11R1.159 O=C(O)C1=CC=CC(F)=C1Br B37233 [0,1,0,0,0,1|2,0,0]=4 1021 B11R1.159 O=C(O)C1=CC=CC(F)=C1Cl C44588 [0,1,0,0,0,1|2,0,0]=4 1022 B11R1.159 O=C(O)C1=CC=CC(F)=C1F D44604 [0,1,0,0,0,1|2,0,0]=4 1023 B11R1.159 O=C(O)C1=CC=CC(F)=C1I F44615 [0,1,0,0,0,1|2,0,0]=4 1024 B11R1.159 O=C(O)C1=CC=CC(F)=C1O F68862 [0,1,0,0,0,1|2,0,0]=4 1025 B11R1.159 O=C(O)C1=CC=CC(I)=C1Br B44581 [0,1,0,0,0,1|2,0,0]=4 1026 B11R1.159 O=C(O)C1=CC=CC(I)=C1F F44612 [0,1,0,0,0,1|2,0,0]=4 1027 B11R1.159 O=C(O)C1=CN=CC(Br)=C1Cl B41905 [0,1,0,0,0,1|2,0,0]=4 1028 B11R1.167 CC(=O)C1=C(O)C=CC(C)=C1 H49899 [0,1,0,0,0,1|2,0,0]=4 1029 B11R1.167 CC1=C(C(=O)O)C=C(Br)C=C1 B25445 [0,1,0,0,0,1|2,0,0]=4 1030 B11R1.167 CC1=C(C(=O)O)C=C(Cl)C=C1 C39492 [0,1,0,0,0,1|2,0,0]=4 1031 B11R1.167 CC1=C(C(=O)O)C=C(F)C=C1 F48616 [0,1,0,0,0,1|2,0,0]=4 1032 B11R1.167 CC1=C(C(=O)O)C=C(I)C=C1 K48634 [0,1,0,0,0,1|2,0,0]=4 1033 B11R1.167 CC1=C(C(=O)O)C=C(N)C=C1 A38108 [0,1,0,0,0,1|2,0,0]=4 1034 B11R1.167 CC1=C(C(=O)O)C=C(O)C=C1 H49098 [0,1,0,0,0,1|2,0,0]=4 1035 B11R1.167 CC1=CC(C(=O)O)=C(Br)C=C1 B48567 [0,1,0,0,0,1|1,0,0]=3 1036 B11R1.167 CC1=CC(C(=O)O)=C(C)C=C1 D39532 [0,1,0,0,0,1|1,0,0]=3 1037 B11R1.167 CC1=CC(C(=O)O)=C(Cl)C=C1 C48592 [0,1,0,0,0,1|1,0,0]=3 1038 B11R1.167 CC1=CC(C(=O)O)=C(Cl)C=N1 C45365 [0,1,0,0,0,1|1,0,0]=3 1039 B11R1.167 CC1=CC(C(=O)O)=C(F)C=C1 F48611 [0,1,0,0,0,1|1,0,0]=3 1040 B11R1.167 CC1=CC(C(=O)O)=C(F)C=N1 F45384 [0,1,0,0,0,1|1,0,0]=3 1041 B11R1.167 CC1=CC(C(=O)O)=C(I)C=C1 I24082 [0,1,0,0,0,1|1,0,0]=3 1042 B11R1.167 CC1=CC(C(=O)O)=C(N)C=C1 A67448 [0,1,0,0,0,1|1,0,0]=3 1043 B11R1.167 CC1=CC(C(=O)O)=C(N)C=N1 A1742 [0,1,0,0,0,1|1,0,0]=3 1044 B11R1.167 CC1=CC(C(=O)O)=C(N)C=N1 A31834 [0,1,0,0,0,1|1,0,0]=3 1045 B11R1.167 CC1=CC(C(=O)O)=C(N)N=C1 A46002 [0,1,0,0,0,1|1,0,0]=3 1046 B11R1.167 CC1=CC(C(=O)O)=C(O)C=C1 H60608 [0,1,0,0,0,1|1,0,0]=3 1047 B11R1.167 CC1=CC(C(N)=O)=C(N)C=C1 A46652 [0,1,0,0,0,1|2,0,0]=4 1048 B11R1.167 CC1=CC=C(N)C(C(=O)O)=N1 A13502 [0,1,0,0,0,1|2,0,0]=4 1049 B11R1.167 CC1=CC=C(O)C(C(=O)O)=N1 H45842 [0,1,0,0,0,1|2,0,0]=4 1050 B11R1.167 CC1=CN=C(C)C(C(=O)O)=N1 D46014 [0,1,0,0,0,1|2,0,0]=4 1051 B11R1.167 CC1=CN=C(Cl)C(C(=O)O)=C1 C45357 [0,1,0,0,0,1|1,0,0]=3 1052 B11R1.167 CC1=CN=C(Cl)C(C(=O)O)=N1 C42409 [0,1,0,0,0,1|2,0,0]=4 1053 B11R1.167 CC1=CN=C(F)C(C(=O)O)=C1 F45381 [0,1,0,0,0,1|1,0,0]=3 1054 B11R1.167 CC1=NC(C(=O)O)=C(Br)C=N1 B14424 [0,1,0,0,0,1|2,0,0]=4 1055 B11R1.167 CC1=NC(C(=O)O)=C(Cl)C=C1 C62178 [0,1,0,0,0,1|2,0,0]=4 1056 B11R1.167 CC1=NC(C(=O)O)=C(Cl)C=N1 C11200 [0,1,0,0,0,1|2,0,0]=4 1057 B11R1.167 CC1=NC=C(Br)C=C1C(=O)O B45336 [0,1,0,0,0,1|2,0,0]=4 1058 B11R1.167 CC1=NC=C(Cl)C=C1C(=O)O C9688 [0,1,0,0,0,1|2,0,0]=4 1059 B11R1.167 CC1=NN=C(Cl)C(C(=O)O)=C1 C2950 [0,1,0,0,0,1|1,0,0]=3 1060 B11R1.167 CC1=NNC(=O)C(C(=O)O)=C1 M2951 [0,1,0,0,0,1|1,0,0]=3 1061 B11R1.167 NC1=C(C(=O)O)C=C(Br)C=C1 B68128 [0,1,0,0,0,1|2,0,0]=4 1062 B11R1.167 NC1=C(C(=O)O)C=C(Cl)C=C1 A69316 [0,1,0,0,0,1|2,0,0]=4 1063 B11R1.167 NC1=C(C(=O)O)C=C(F)C=C1 A69260 [0,1,0,0,0,1|2,0,0]=4 1064 B11R1.167 NC1=C(C(=O)O)C=C(I)C=C1 A39389 [0,1,0,0,0,1|2,0,0]=4 1065 B11R1.167 NC1=C(C(=O)O)C=C(O)C=C1 A67447 [0,1,0,0,0,1|2,0,0]=4 1066 B11R1.167 NC1=CC(C(=O)O)=C(Br)C=C1 A45331 [0,1,0,0,0,1|2,0,0]=4 1067 B11R1.167 NC1=CC(C(=O)O)=C(Br)C=N1 A42391 [0,1,0,0,0,1|2,0,0]=4 1068 B11R1.167 NC1=CC(C(=O)O)=C(Cl)C=C1 A45355 [0,1,0,0,0,1|2,0,0]=4 1069 B11R1.167 NC1=CC(C(=O)O)=C(F)C=C1 A45380 [0,1,0,0,0,1|2,0,0]=4 1070 B11R1.167 NC1=CN=C(Br)C=C1C(=O)O A12854 [0,1,0,0,0,1|2,0,0]=4 1071 B11R1.167 NC1=CN=C(Cl)C(C(=O)O)=C1 A10459 [0,1,0,0,0,1|2,0,0]=4 1072 B11R1.167 NC1=CN=C(Cl)C=C1C(=O)O A0384 [0,1,0,0,0,1|2,0,0]=4 1073 B11R1.167 NC1=CN=C(F)C=C1C(=O)O A12853 [0,1,0,0,0,1|2,0,0]=4 1074 B11R1.167 NC1=NC=C(Br)C=C1C(=O)O A4501 [0,1,0,0,0,1|2,0,0]=4 1075 B11R1.167 NC1=NC=C(Cl)C=C1C(=O)O A42408 [0,1,0,0,0,1|2,0,0]=4 1076 B11R1.167 NC1=NC=C(I)C=C1C(=O)O A42427 [0,1,0,0,0,1|2,0,0]=4 1077 B11R1.167 O=C(O)C1=C(Br)C=CC(Br)=C1 D44563 [0,1,0,0,0,1|2,0,0]=4 1078 B11R1.167 O=C(O)C1=C(Br)C=CC(Cl)=C1 B44565 [0,1,0,0,0,1|2,0,0]=4 1079 B11R1.167 O=C(O)C1=C(Br)C=CC(F)=C1 B39335 [0,1,0,0,0,1|2,0,0]=4 1080 B11R1.167 O=C(O)C1=C(Br)C=CC(I)=C1 B44583 [0,1,0,0,0,1|2,0,0]=4 1081 B11R1.167 O=C(O)C1=C(Br)C=CC(O)=C1 B45110 [0,1,0,0,0,1|2,0,0]=4 1082 B11R1.167 O=C(O)C1=C(Br)C=NC(Cl)=C1 B26174 [0,1,0,0,0,1|2,0,0]=4 1083 B11R1.167 O=C(O)C1=C(Cl)C=CC(Br)=C1 B39334 [0,1,0,0,0,1|2,0,0]=4 1084 B11R1.167 O=C(O)C1=C(Cl)C=CC(Cl)=C1 D68554 [0,1,0,0,0,1|2,0,0]=4 1085 B11R1.167 O=C(O)C1=C(Cl)C=CC(F)=C1 C44589 [0,1,0,0,0,1|2,0,0]=4 1086 B11R1.167 O=C(O)C1=C(Cl)C=CC(I)=C1 C44598 [0,1,0,0,0,1|2,0,0]=4 1087 B11R1.167 O=C(O)C1=C(Cl)C=CC(O)=C1 C37903 [0,1,0,0,0,1|2,0,0]=4 1088 B11R1.167 O=C(O)C1=C(F)C=CC(Br)=C1 B44577 [0,1,0,0,0,1|2,0,0]=4 1089 B11R1.167 O=C(O)C1=C(F)C=CC(Cl)=C1 C37880 [0,1,0,0,0,1|2,0,0]=4 1090 B11R1.167 O=C(O)C1=C(F)C=CC(I)=C1 F17987 [0,1,0,0,0,1|2,0,0]=4 1091 B11R1.167 O=C(O)C1=C(I)C=CC(Br)=C1 B13763 [0,1,0,0,0,1|2,0,0]=4 1092 B11R1.167 O=C(O)C1=C(I)C=CC(Cl)=C1 C44603 [0,1,0,0,0,1|2,0,0]=4 1093 B11R1.167 O=C(O)C1=C(I)C=CC(F)=C1 F28645 [0,1,0,0,0,1|2,0,0]=4 1094 B11R1.167 O=C(O)C1=C(I)C=CC(I)=C1 D68213 [0,1,0,0,0,1|2,0,0]=4 1095 B11R1.167 O=C(O)C1=C(I)C=CC(O)=C1 H45127 [0,1,0,0,0,1|2,0,0]=4 1096 B11R1.167 O=C(O)C1=C(O)C=CC(Br)=C1 B67995 [0,1,0,0,0,1|2,0,0]=4 1097 B11R1.167 O=C(O)C1=C(O)C=CC(F)=C1 F68863 [0,1,0,0,0,1|2,0,0]=4 1098 B11R1.167 O=C(O)C1=C(O)C=CC(I)=C1 H62399 [0,1,0,0,0,1|2,0,0]=4 1099 B11R1.167 O=C(O)C1=C(S)C=CC(Br)=C1 B45087 [0,1,0,0,0,1|2,0,0]=4 1100 B11R1.167 O=C(O)C1=CC(Br)=CN=C1Br D12518 [0,1,0,0,0,1|2,0,0]=4 1101 B11R1.167 O=C(O)C1=CC(Br)=CN=C1Cl B0471 [0,1,0,0,0,1|2,0,0]=4 1102 B11R1.167 O=C(O)C1=CC(Br)=CN=C1F B12898 [0,1,0,0,0,1|2,0,0]=4 1103 B11R1.167 O=C(O)C1=CC(Br)=CN=C1O B4668 [0,1,0,0,0,1|2,0,0]=4 1104 B11R1.167 O=C(O)C1=CC(Br)=NC=C1Br D3437 [0,1,0,0,0,1|2,0,0]=4 1105 B11R1.167 O=C(O)C1=CC(Br)=NC=C1Cl B24103 [0,1,0,0,0,1|2,0,0]=4 1106 B11R1.167 O=C(O)C1=CC(Br)=NC=C1F B26159 [0,1,0,0,0,1|2,0,0]=4 1107 B11R1.167 O=C(O)C1=CC(Cl)=CN=C1Cl D41926 [0,1,0,0,0,1|2,0,0]=4 1108 B11R1.167 O=C(O)C1=CC(Cl)=NC=C1Cl D3788 [0,1,0,0,0,1|2,0,0]=4 1109 B11R1.167 O=C(O)C1=CC(Cl)=NC=C1F C41942 [0,1,0,0,0,1|2,0,0]=4 1110 B11R1.167 O=C(O)C1=CC(Cl)=NC=C1O C42276 [0,1,0,0,0,1|2,0,0]=4 1111 B11R1.167 O=C(O)C1=CC(Cl)=NN=C1Cl D1516 [0,1,0,0,0,1|2,0,0]=4 1112 B11R1.167 O=C(O)C1=CC(Cl)=NN=C1O C40601 [0,1,0,0,0,1|2,0,0]=4 1113 B11R1.167 O=C(O)C1=CC(F)=CN=C1Br B63733 [0,1,0,0,0,1|2,0,0]=4 1114 B11R1.167 O=C(O)C1=CC(F)=CN=C1Cl C8175 [0,1,0,0,0,1|2,0,0]=4 1115 B11R1.167 O=C(O)C1=CC(F)=CN=C1O F42283 [0,1,0,0,0,1|2,0,0]=4 1116 B11R1.167 O=C(O)C1=CC(I)=CN=C1Cl C41943 [0,1,0,0,0,1|2,0,0]=4 1117 B11R1.167 O=C(O)C1=CC(I)=CN=C1O H42286 [0,1,0,0,0,1|2,0,0]=4 1118 B11R1.167 O=C(O)C1=CC(O)=CN=C1Cl C42272 [0,1,0,0,0,1|2,0,0]=4 1119 B11R1.266 C#CC1=CC=CC(C(=O)O)=C1 E50962 [0,1,0,0,0,1|1,0,1]=4 1120 B11R1.266 COC1=CC(C(=O)O)=CN=C1 M45836 [0,1,0,0,0,1|1,0,0]=3 1121 B11R1.266 COC1=CC(C(=O)O)=CN=N1 M19640 [0,1,0,0,0,1|1,0,0]=3 1122 B11R1.266 COC1=CC(C(=O)O)=NC=C1 M3752 [0,1,0,0,0,1|1,0,0]=3 1123 B11R1.266 COC1=CC(C(=O)O)=NC=N1 M23407 [0,1,0,0,0,1|1,0,0]=3 1124 B11R1.266 COC1=CC=CC(C(=O)O)=N1 M45837 [0,1,0,0,0,1|2,0,0]=4 1125 B11R1.266 COC1=CC=CC(C(C)=O)=C1 M27970 [0,1,0,0,0,1|2,0,0]=4 1126 B11R1.266 COC1=CN=CC(C(=O)O)=N1 M42788 [0,1,0,0,0,1|2,0,0]=4 1127 B11R1.266 COC1=NC=CC(C(=O)O)=C1 M12734 [0,1,0,0,0,1|1,0,0]=3 1128 B11R1.266 COC1=NC=CC(C(=O)O)=N1 M38982 [0,1,0,0,0,1|2,0,0]=4 1129 B11R1.266 CSC1=CC(C(=O)O)=CC=C1 M49088 [0,1,0,0,0,1|1,0,0]=3 1130 B11R1.266 CSC1=NC(C(=O)O)=CC=N1 M28646 [0,1,0,0,0,1|2,0,0]=4 1131 B11R1.266 N#CC1=CC=CC(C(=O)O)=C1 C39460 [0,1,0,0,0,1|1,0,1]=4 1132 B11R1.266 N#CC1=NC=CC(C(=O)O)=C1 C20592 [0,1,0,0,0,1|1,0,1]=4 1133 B11R1.266 NC(=O)C1=CC=CC(CBr)=C1 B39073 [0,1,0,0,0,1|2,0,0]=4 1134 B11R1.266 NCC1=CC=CC(C(=O)O)=C1 A49646 [0,1,0,0,0,1|1,0,0]=3 1135 B11R1.266 NCC1=CC=CC(C(N)=O)=C1 A46649 [0,1,0,0,0,1|2,0,0]=4 1136 B11R1.266 NNC1=NC=CC(C(=O)O)=C1 H12517 [0,1,0,0,0,1|2,0,0]=4 1137 B11R1.266 O=C(O)C1=CC(CO)=CC=C1 H62311 [0,1,0,0,0,1|1,0,0]=3 1138 B11R1.266 O=C(O)C1=CC(CO)=NC=C1 H63529 [0,1,0,0,0,1|1,0,0]=3 1139 B11R1.266 O=C(O)C1=CC=CC(CBr)=C1 B38629 [0,1,0,0,0,1|1,0,0]=3 1140 B11R1.266 O=C(O)C1=CC=CC(CCl)=C1 C48590 [0,1,0,0,0,1|1,0,0]=3 1141 B11R1.266 O=C(O)C1=NC(CO)=CC=C1 H45841 [0,1,0,0,0,1|2,0,0]=4 1142 B11R1.266 O=CC1=CC=CC(C(=O)O)=C1 F27989 [0,1,0,0,0,1|1,0,1]=4 1143 B11R1.15 CCOC(=O)C1=CC(C)=CN1 E69074 [0,2,0,0,0,0|2,0,0]=4 1144 B11R1.15 CCOC(=O)C1=CC(C)=NN1 E23529 [0,2,0,0,0,0|2,0,0]=4 1145 B11R1.15 CCOC(=O)C1=CC(C)=NO1 E46428 [0,2,0,0,0,0|2,0,0]=4 1146 B11R1.15 CCOC(=O)C1=CC=C(C)N1 E13124 [0,2,0,0,0,0|2,0,0]=4 1147 B11R1.15 CCOC(=O)C1=CC=C(C)S1 E46839 [0,2,0,0,0,0|2,0,0]=4 1148 B11R1.15 CCOC(=O)C1=CN(C)N=C1 E8101 [0,2,0,0,0,0|2,0,0]=4 1149 B11R1.15 CCOC(=O)C1=CN=C(C)S1 E2885 [0,2,0,0,0,0|2,0,0]=4 1150 B11R1.15 CCOC(=O)C1=CNC(C)=C1 E64019 [0,2,0,0,0,0|1,0,0]=3 1151 B11R1.15 CCOC(=O)C1=COC(C)=N1 E9858 [0,2,0,0,0,0|1,1,0]=4 1152 B11R1.15 CCOC(=O)C1=CSC(=S)N1 E63132 [0,2,0,0,0,0|2,0,0]=4 1153 B11R1.15 CCOC(=O)C1=CSC(Br)=C1 E45908 [0,2,0,0,0,0|1,0,0]=3 1154 B11R1.15 CCOC(=O)C1=CSC(Br)=N1 E2133 [0,2,0,0,0,0|2,0,0]=4 1155 B11R1.15 CCOC(=O)C1=CSC(C)=N1 E2046 [0,2,0,0,0,0|1,0,0]=3 1156 B11R1.15 CCOC(=O)C1=CSC(Cl)=N1 M4857 [0,2,0,0,0,0|2,0,0]=4 1157 B11R1.15 CCOC(=O)C1=CSC(F)=N1 E42865 [0,2,0,0,0,0|2,0,0]=4 1158 B11R1.15 CCOC(=O)C1=CSC(N)=N1 E2339 [0,2,0,0,0,0|2,0,0]=4 1159 B11R1.44 CCC1=NNC(C(=O)OC)=C1 M43659 [0,2,0,0,0,0|2,0,0]=4 1160 B11R1.44 COC(=O)C1=CC(CN)=CS1 M46579 [0,2,0,0,0,0|2,0,0]=4 1161 B11R1.44 COC(=O)C1=CC(CO)=CN1 M63509 [0,2,0,0,0,0|2,0,0]=4 1162 B11R1.44 COC(=O)C1=CC=C(CCl)O1 M45939 [0,2,0,0,0,0|2,0,0]=4 1163 B11R1.44 COC(=O)C1=CC=C(CN)N1 M43667 [0,2,0,0,0,0|2,0,0]=4 1164 B11R1.44 COC(=O)C1=COC(CCl)=N1 M2093 [0,2,0,0,0,0|1,1,0]=4 1165 B11R1.44 COC(=O)C1=CSC(C=O)=C1 M64848 [0,2,0,0,0,0|0,0,1]=3 1166 B11R1.44 COC(=O)C1=CSC(C=O)=N1 M42611 [0,2,0,0,0,0|1,0,1]=4 1167 B11R1.44 COC(=O)C1=CSC(CCl)=N1 M36783 [0,2,0,0,0,0|1,0,0]=3 1168 B11R1.225 COC(=O)C1=C(Br)SC(Br)=N1 M3207 [0,2,0,0,0,0|2,0,0]=4 1169 B11R1.225 COC(=O)C1=C(Br)SC(N)=N1 M2151 [0,2,0,0,0,0|2,0,0]=4 1170 B11R1.225 COC(=O)C1=C(C)C=C(C)N1 M63511 [0,2,0,0,0,0|2,0,0]=4 1171 B11R1.225 COC(=O)C1=C(C)SC(Br)=C1 M45909 [0,2,0,0,0,0|1,0,0]=3 1172 B11R1.225 COC(=O)C1=C(C)SC(Br)=N1 M3489 [0,2,0,0,0,0|2,0,0]=4 1173 B11R1.225 COC(=O)C1=C(C)SC(N)=N1 M3486 [0,2,0,0,0,0|2,0,0]=4 1174 B11R1.225 COC(=O)C1=C(Cl)SC(Br)=C1 M42316 [0,2,0,0,0,0|1,0,0]=3 1175 B11R1.225 COC(=O)C1=C(Cl)SC(Br)=N1 M3208 [0,2,0,0,0,0|2,0,0]=4 1176 B11R1.225 COC(=O)C1=C(Cl)SC(N)=N1 A4897 [0,2,0,0,0,0|2,0,0]=4 1177 B11R1.225 COC(=O)C1=C(N)C=C(C)S1 M12253 [0,2,0,0,0,0|2,0,0]=4 1178 B11R1.225 COC(=O)C1=C(N)SC(Cl)=C1 M42863 [0,2,0,0,0,0|1,0,0]=3 1179 B11R1.225 COC(=O)C1=C(O)C=C(C)S1 M46270 [0,2,0,0,0,0|2,0,0]=4 1180 B11R1.225 COC(=O)C1=CC(C)=NN1C M43664 [0,2,0,0,0,0|2,0,0]=4 1181 B11R1.865 COC(=O)C1=C(N)C(C)=CS1 M39420 [0,2,0,0,0,0|2,0,0]=4 1182 B11R1.865 COC(=O)C1=C(N)C(C)=NN1 M43368 [0,2,0,0,0,0|2,0,0]=4 1183 B11R1.865 COC(=O)C1=C(N)N(C)N=C1 M37477 [0,2,0,0,0,0|2,0,0]=4 1184 B11R1.865 COC(=O)C1=CSC(C)=C1N M46425 [0,2,0,0,0,0|0,0,0]=2 1185 B11R1.865 COC(=O)C1=NOC(C)=C1Br M42870 [0,2,0,0,0,0|1,1,0]=4 1186 B11R1.48 CCN1N=C(C(=O)O)C=C1C E43665 [0,2,0,0,0,0|2,0,0]=4 1187 B11R1.48 COC1=CC(C(=O)O)=NN1C M43248 [0,2,0,0,0,0|2,0,0]=4 1188 B11R1.50 CCC1=NN(C)C(C(=O)O)=C1 E43666 [0,2,0,0,0,0|2,0,0]=4 1189 B11R1.124 COCC1=CNC(C(=O)O)=C1 M46434 [0,2,0,0,0,0|2,0,0]=4 1190 B11R1.175 CC(=O)C1=CC=C(C(=O)O)S1 C64579 [0,2,0,0,0,0|2,0,0]=4 1191 B11R1.175 CC(=O)C1=NC=C(C(=O)O)S1 A66026 [0,2,0,0,0,0|2,0,0]=4 1192 B11R1.175 CC(C)C1=CC(C(=O)O)=NN1 P43660 [0,2,0,0,0,0|2,0,0]=4 1193 B11R1.175 CC(C)C1=NC(C(=O)O)=CS1 P46418 [0,2,0,0,0,0|1,0,0]=3 1194 B11R1.175 CC(C)N1C=C(C(=O)O)C=N1 P15480 [0,2,0,0,0,0|2,0,0]=4 1195 B11R1.175 O=C(O)C1=NNC(C(F)F)=C1 D40758 [0,2,0,0,0,0|2,0,0]=4 1196 B11R1.175 O=C(O)C1=NSC([N+](=O)[O-])=C1 N64074 [0,2,0,0,0,0|2,0,0]=4 1197 B11R1.49 CCC1=C(C(=O)O)SC(C)=N1 E46419 [0,2,0,0,0,0|2,0,0]=4 1198 B11R1.49 CCN1N=C(C)C=C1C(=O)O E29866 [0,2,0,0,0,0|2,0,0]=4 1199 B11R1.673 CC1=NN(C)C(C)=C1C(=O)O T43663 [0,2,0,0,0,0|2,0,0]=4 1200 B9R1.6 O=C(O)C1=CN=CN=C1 P2410 [0,0,1,1,0,0|2,0,0]=4 1201 B9R1.2 CC1=CC(C=O)=CN=C1 M12908 [1,0,0,0,0,1|1,0,0]=3 1202 B9R1.2 CC1=CC(C=O)=NC=C1 M3027 [1,0,0,0,0,1|1,0,0]=3 1203 B9R1.2 CC1=CC(CO)=CN=C1 H10516 [1,0,0,0,0,1|1,0,1]=4 1204 B9R1.2 CC1=CC(CO)=NC=C1 M46387 [1,0,0,0,0,1|1,0,1]=4 1205 B9R1.2 CC1=CC(CO)=NC=N1 M11486 [1,0,0,0,0,1|1,0,1]=4 1206 B9R1.2 CC1=CC=CC(C=O)=N1 M67935 [1,0,0,0,0,1|2,0,0]=4 1207 B9R1.2 CC1=CC=NC(C=O)=N1 M14427 [1,0,0,0,0,1|2,0,0]=4 1208 B9R1.2 CC1=CN=CC(C=O)=N1 M16928 [1,0,0,0,0,1|2,0,0]=4 1209 B9R1.2 CC1=NC=CC(C=O)=C1 M36797 [1,0,0,0,0,1|1,0,0]=3 1210 B9R1.2 CC1=NC=CC(C=O)=N1 M42771 [1,0,0,0,0,1|2,0,0]=4 1211 B9R1.2 CC1=NC=CC(CO)=C1 M4019 [1,0,0,0,0,1|1,0,1]=4 1212 B9R1.2 NC1=CC(C=O)=NC=C1 A37575 [1,0,0,0,0,1|2,0,0]=4 1213 B9R1.2 NC1=CC=CC(C=O)=C1 A46548 [1,0,0,0,0,1|2,0,0]=4 1214 B9R1.2 O=CC1=CC(Br)=CN=C1 B3012 [1,0,0,0,0,1|2,0,0]=4 1215 B9R1.2 O=CC1=CC(Br)=NC=C1 B2598 [1,0,0,0,0,1|2,0,0]=4 1216 B9R1.2 O=CC1=CC(Br)=NC=N1 B40605 [1,0,0,0,0,1|2,0,0]=4 1217 B9R1.2 O=CC1=CC(Cl)=CN=C1 C15036 [1,0,0,0,0,1|2,0,0]=4 1218 B9R1.2 O=CC1=CC(Cl)=NC=C1 C0408 [1,0,0,0,0,1|2,0,0]=4 1219 B9R1.2 O=CC1=CC(F)=CN=C1 F15543 [1,0,0,0,0,1|2,0,0]=4 1220 B9R1.2 O=CC1=CC(F)=NC=C1 F2753 [1,0,0,0,0,1|2,0,0]=4 1221 B9R1.2 O=CC1=CC(O)=CC=C1 H15969 [1,0,0,0,0,1|2,0,0]=4 1222 B9R1.2 O=CC1=CC(O)=NC=C1 H42599 [1,0,0,0,0,1|2,0,0]=4 1223 B9R1.2 O=CC1=CC=CC(Br)=C1 B68146 [1,0,0,0,0,1|2,0,0]=4 1224 B9R1.2 O=CC1=CC=CC(Cl)=C1 C69283 [1,0,0,0,0,1|2,0,0]=4 1225 B9R1.2 O=CC1=CC=CC(F)=C1 F45149 [1,0,0,0,0,1|2,0,0]=4 1226 B9R1.2 O=CC1=CC=CC(I)=C1 K45152 [1,0,0,0,0,1|2,0,0]=4 1227 B9R1.2 O=CC1=CN=CC(O)=C1 H37579 [1,0,0,0,0,1|2,0,0]=4 1228 B9R1.2 O=CC1=NC=CC(Br)=C1 B15000 [1,0,0,0,0,1|2,0,0]=4 1229 B9R1.2 O=CC1=NC=CC(Cl)=C1 C10313 [1,0,0,0,0,1|2,0,0]=4 1230 B9R1.2 O=CC1=NC=CC(F)=C1 F16335 [1,0,0,0,0,1|2,0,0]=4 1231 B9R1.13 CC(=O)NC1=CSC=C1 T43173 [1,0,0,0,0,1|1,0,0]=3 1232 B9R1.13 O=C(O)CC1=CC=CO1 F42944 [1,0,0,0,0,1|2,0,0]=4 1233 B9R1.13 O=C(O)CC1=CC=CS1 T12816 [1,0,0,0,0,1|2,0,0]=4 1234 B9R1.13 O=C(O)CC1=CSC=C1 T12830 [1,0,0,0,0,1|0,0,0]=2 1235 B9R1.13 O=C(O)CC1=NNC=C1 P41346 [1,0,0,0,0,1|2,0,0]=4 1236 B9R1.13 O=C(O)CN1C=CN=C1 K41347 [1,0,0,0,0,1|2,0,0]=4 1237 B9R1.13 O=C(O)CN1C=CN=C1 K68355 [1,0,0,0,0,1|2,0,0]=4 1238 B11R1.20 CC1=CC=C(CC(=O)O)C=C1 T37815 [0,0,0,0,0,2|1,0,0]=3 1239 B11R1.20 CC1=CN=C(CC(=O)O)C=C1 M49647 [0,0,0,0,0,2|1,0,0]=3 1240 B11R1.20 CC1=NC=C(CC(=O)O)C=C1 M61975 [0,0,0,0,0,2|1,0,0]=3 1241 B11R1.20 NC1=CC=C(CC(=O)O)C=C1 A69139 [0,0,0,0,0,2|2,0,0]=4 1242 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 B7856 [0,0,0,0,0,2|2,0,0]=4 1243 B11R1.20 O=C(O)CC1=CC=C(Cl)C=C1 C68318 [0,0,0,0,0,2|2,0,0]=4 1244 B11R1.20 O=C(O)CC1=CC=C(F)C=C1 F67433 [0,0,0,0,0,2|2,0,0]=4 1245 B11R1.20 O=C(O)CC1=CN=C(Cl)C=C1 C28734 [0,0,0,0,0,2|2,0,0]=4 1246 B11R1.20 O=C(O)CC1=NC=C(Br)C=C1 B12779 [0,0,0,0,0,2|2,0,0]=4 1247 B11R1.20 O=C(O)CC1=NC=C(Cl)C=C1 C15880 [0,0,0,0,0,2|2,0,0]=4 1248 B11R1.20 O=C(O)CC1=NC=C(F)C=C1 F15876 [0,0,0,0,0,2|2,0,0]=4 1249 B11R1.20 O=C(O)CC1=NC=C(I)C=C1 I27088 [0,0,0,0,0,2|2,0,0]=4 1250 B11R1.75 CC1=CC=C(\C=C\C(=O)O)S1 M61065 [0,0,0,0,0,2|2,0,0]=4 1251 B11R1.157 CC1=CC=CC(CC(=O)O)=C1 T49882 [0,0,0,0,0,2|1,0,0]=3 1252 B11R1.157 O=C(O)CC1=CC(Br)=NC=C1 B38302 [0,0,0,0,0,2|2,0,0]=4 1253 B11R1.157 O=C(O)CC1=CC(Cl)=NC=C1 C62039 [0,0,0,0,0,2|2,0,0]=4 1254 B11R1.157 O=C(O)CC1=CC(F)=CN=C1 F8162 [0,0,0,0,0,2|2,0,0]=4 1255 B11R1.157 O=C(O)CC1=CC=CC(Br)=C1 B67653 [0,0,0,0,0,2|2,0,0]=4 1256 B11R1.157 O=C(O)CC1=CC=CC(Cl)=C1 C68317 [0,0,0,0,0,2|2,0,0]=4 1257 B11R1.157 O=C(O)CC1=CC=CC(F)=C1 F23088 [0,0,0,0,0,2|2,0,0]=4 1258 B11R1.157 O=C(O)CC1=CC=CC(I)=C1 K48631 [0,0,0,0,0,2|2,0,0]=4 1259 B11R1.157 O=C(O)CC1=NC=CC(Br)=C1 B45344 [0,0,0,0,0,2|2,0,0]=4 1260 B11R1.157 O=C(O)CC1=NC=CC(Cl)=C1 C45371 [0,0,0,0,0,2|2,0,0]=4