0 B10R1.3 BrCC1=CC=C(CBr)C=C1 B48752 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.3 C#CC1=CC=C(C#N)C=C1 E36850 [0,0,0,0,0,0|2,0,2]=4 2 B10R1.3 C#CC1=CC=C(C=O)C=C1 E38050 [0,0,0,0,0,0|1,0,1]=2 3 B10R1.3 C#CC1=CC=C(CC)C=C1 E52271 [0,0,0,0,0,0|2,0,1]=3 4 B10R1.3 C#CC1=CC=C(CN)C=C1 E38189 [0,0,0,0,0,0|2,0,2]=4 5 B10R1.3 C#CC1=CC=C(CO)C=C1 E51546 [0,0,0,0,0,0|1,0,3]=4 6 B10R1.3 C#CC1=CC=C(OC)C=C1 E51542 [0,0,0,0,0,0|1,0,1]=2 7 B10R1.3 C#CC1=CN=C(OC)C=C1 E0638 [0,0,0,0,0,0|2,0,1]=3 8 B10R1.3 C=CC1=CC=C(CO)C=C1 V32337 [0,0,0,0,0,0|3,0,0]=3 9 B10R1.3 C=CC1=CC=C(OC)C=C1 M68575 [0,0,0,0,0,0|1,0,0]=1 10 B10R1.3 CCC1=CC=C(NN)C=C1 E49533 [0,0,0,0,0,0|3,0,0]=3 11 B10R1.3 CCC1=CC=C(OC)C=C1 E50270 [0,0,0,0,0,0|1,0,1]=2 12 B10R1.3 CCC1=CN=C(C=O)C=C1 E49257 [0,0,0,0,0,0|2,0,0]=2 13 B10R1.3 CNC1=CC=C(C#N)C=C1 M67463 [0,0,0,0,0,0|2,0,1]=3 14 B10R1.3 CNC1=CN=C(C#N)C=C1 M45724 [0,0,0,0,0,0|3,0,1]=4 15 B10R1.3 CNC1=NC=C(C#N)C=C1 M45725 [0,0,0,0,0,0|3,0,1]=4 16 B10R1.3 COC1=CC=C(C#N)C=C1 M68579 [0,0,0,0,0,0|1,0,1]=2 17 B10R1.3 COC1=CC=C(CN)C=C1 M4627 [0,0,0,0,0,0|1,0,1]=2 18 B10R1.3 COC1=CC=C(CO)C=C1 M68895 [0,0,0,0,0,0|0,0,2]=2 19 B10R1.3 COC1=CC=C(NN)C=C1 M46462 [0,0,0,0,0,0|2,0,0]=2 20 B10R1.3 COC1=CC=C(OC)C=C1 D68896 [0,0,0,0,0,0|2,0,0]=2 21 B10R1.3 COC1=CN=C(C#N)C=C1 M5547 [0,0,0,0,0,0|2,0,1]=3 22 B10R1.3 COC1=CN=C(C#N)N=C1 M12138 [0,0,0,0,0,0|3,0,1]=4 23 B10R1.3 COC1=CN=C(C=O)C=C1 M15225 [0,0,0,0,0,0|1,0,0]=1 24 B10R1.3 COC1=CN=C(C=O)N=C1 M12145 [0,0,0,0,0,0|2,0,0]=2 25 B10R1.3 COC1=CN=C(CCl)C=C1 C15224 [0,0,0,0,0,0|2,0,1]=3 26 B10R1.3 COC1=CN=C(CCl)N=C1 C19967 [0,0,0,0,0,0|3,0,1]=4 27 B10R1.3 COC1=CN=C(CO)C=C1 H15223 [0,0,0,0,0,0|1,0,2]=3 28 B10R1.3 COC1=CN=C(OC)C=C1 D46391 [0,0,0,0,0,0|3,0,0]=3 29 B10R1.3 COC1=NC=C(C#N)C=C1 M9551 [0,0,0,0,0,0|2,0,1]=3 30 B10R1.3 COC1=NC=C(C=O)C=C1 M31008 [0,0,0,0,0,0|1,0,0]=1 31 B10R1.3 COC1=NC=C(C=O)C=N1 M42777 [0,0,0,0,0,0|2,0,0]=2 32 B10R1.3 COC1=NC=C(CBr)C=C1 B37014 [0,0,0,0,0,0|2,0,1]=3 33 B10R1.3 COC1=NC=C(CCl)C=C1 C46199 [0,0,0,0,0,0|2,0,1]=3 34 B10R1.3 COC1=NC=C(CN)C=C1 A10463 [0,0,0,0,0,0|2,0,1]=3 35 B10R1.3 COC1=NC=C(CN)C=C1 M29962 [0,0,0,0,0,0|2,0,1]=3 36 B10R1.3 COC1=NC=C(CN)C=C1 M46593 [0,0,0,0,0,0|2,0,1]=3 37 B10R1.3 COC1=NC=C(CN)C=N1 M26757 [0,0,0,0,0,0|3,0,1]=4 38 B10R1.3 COC1=NC=C(CO)C=C1 M0584 [0,0,0,0,0,0|1,0,2]=3 39 B10R1.3 COC1=NC=C(CO)C=N1 M16831 [0,0,0,0,0,0|2,0,2]=4 40 B10R1.3 COC1=NC=C(CO)N=C1 M61572 [0,0,0,0,0,0|2,0,2]=4 41 B10R1.3 COC1=NC=C(NN)C=C1 H43550 [0,0,0,0,0,0|3,0,0]=3 42 B10R1.3 CSC1=CC=C(C=O)C=C1 M49157 [0,0,0,0,0,0|0,1,0]=1 43 B10R1.3 CSC1=NC=C(C=O)C=N1 M14446 [0,0,0,0,0,0|2,1,0]=3 44 B10R1.3 N#CC1=CC=C(C#N)C=C1 B60782 [0,0,0,0,0,0|3,0,1]=4 45 B10R1.3 N#CC1=CC=C(CBr)C=C1 C47942 [0,0,0,0,0,0|3,0,1]=4 46 B10R1.3 N#CC1=CC=C(CCl)C=C1 C47959 [0,0,0,0,0,0|3,0,1]=4 47 B10R1.3 N#CC1=CC=C(CN)C=C1 A37021 [0,0,0,0,0,0|3,0,1]=4 48 B10R1.3 N#CC1=CC=C(CN)C=C1 A49611 [0,0,0,0,0,0|3,0,1]=4 49 B10R1.3 N#CC1=CC=C(CO)C=C1 H48443 [0,0,0,0,0,0|2,0,2]=4 50 B10R1.3 N#CC1=CC=C(NN)C=C1 H46544 [0,0,0,0,0,0|3,0,1]=4 51 B10R1.3 N#CC1=CN=C(C=O)C=C1 F22261 [0,0,0,0,0,0|3,0,0]=3 52 B10R1.3 N#CC1=NC=C(C=O)C=C1 F18629 [0,0,0,0,0,0|3,0,0]=3 53 B10R1.3 NCC1=CC=C(CN)C=C1 P46958 [0,0,0,0,0,0|3,0,1]=4 54 B10R1.3 NCC1=CC=C(CO)C=C1 A37992 [0,0,0,0,0,0|2,0,2]=4 55 B10R1.3 O=CC1=CC=C(C=O)C=C1 T69290 [0,0,0,0,0,0|2,0,0]=2 56 B10R1.3 O=CC1=CC=C(CBr)C=C1 B24021 [0,0,0,0,0,0|2,0,0]=2 57 B10R1.3 O=CC1=CC=C(CCl)C=C1 C38746 [0,0,0,0,0,0|2,0,0]=2 58 B10R1.3 O=CC1=CC=C(CO)C=C1 H49069 [0,0,0,0,0,0|2,0,0]=2 59 B10R1.3 OCC1=CC=C(CBr)C=C1 B38754 [0,0,0,0,0,0|2,0,2]=4 60 B10R1.3 OCC1=CC=C(CCl)C=C1 C49451 [0,0,0,0,0,0|2,0,2]=4 61 B10R1.3 OCC1=CC=C(CO)C=C1 B68897 [0,0,0,0,0,0|2,0,2]=4 62 B9R1.1 BrCC1=CC=C(I)C=C1 B45171 [1,0,0,0,0,0|2,0,1]=4 63 B9R1.1 C#CC1=CC=C(Br)C=C1 B47528 [1,0,0,0,0,0|2,0,1]=4 64 B9R1.1 C#CC1=CC=C(C)C=C1 E68609 [1,0,0,0,0,0|1,0,1]=3 65 B9R1.1 C#CC1=CC=C(Cl)C=C1 C4938 [1,0,0,0,0,0|2,0,1]=4 66 B9R1.1 C#CC1=CC=C(F)C=C1 F2891 [1,0,0,0,0,0|2,0,1]=4 67 B9R1.1 C#CC1=CC=C(N)C=C1 E37919 [1,0,0,0,0,0|2,0,1]=4 68 B9R1.1 C#CC1=CNC(=O)C=C1 E32387 [1,0,0,0,0,0|2,0,1]=4 69 B9R1.1 C=CC1=CC=C(Br)C=C1 B68124 [1,0,0,0,0,0|2,0,0]=3 70 B9R1.1 C=CC1=CC=C(O)C=C1 V67697 [1,0,0,0,0,0|1,0,0]=2 71 B9R1.1 C=CC1=CN=C(C)C=C1 M11564 [1,0,0,0,0,0|2,0,0]=3 72 B9R1.1 C=CC1=CN=C(F)C=C1 E16703 [1,0,0,0,0,0|3,0,0]=4 73 B9R1.1 CC1=CC=C(C=O)C=C1 M68600 [1,0,0,0,0,0|0,0,0]=1 74 B9R1.1 CC1=CC=C(CN)C=C1 M69544 [1,0,0,0,0,0|1,0,1]=3 75 B9R1.1 CC1=CC=C(CO)C=C1 T37852 [1,0,0,0,0,0|0,0,2]=3 76 B9R1.1 CC1=CC=C(NN)C=C1 T68855 [1,0,0,0,0,0|2,0,0]=3 77 B9R1.1 CC1=CN=C(C#N)C=C1 C4792 [1,0,0,0,0,0|2,0,1]=4 78 B9R1.1 CC1=CN=C(C=O)C=C1 M3063 [1,0,0,0,0,0|1,0,0]=2 79 B9R1.1 CC1=CN=C(C=O)C=N1 M14618 [1,0,0,0,0,0|2,0,0]=3 80 B9R1.1 CC1=CN=C(C=O)N=C1 M11474 [1,0,0,0,0,0|2,0,0]=3 81 B9R1.1 CC1=CN=C(CCl)C=C1 C46107 [1,0,0,0,0,0|2,0,1]=4 82 B9R1.1 CC1=CN=C(CN)C=C1 M43622 [1,0,0,0,0,0|2,0,1]=4 83 B9R1.1 CC1=CN=C(CN)C=C1 M46461 [1,0,0,0,0,0|2,0,1]=4 84 B9R1.1 CC1=CN=C(NN)C=C1 H63578 [1,0,0,0,0,0|3,0,0]=4 85 B9R1.1 CC1=NC=C(C#N)C=C1 M12704 [1,0,0,0,0,0|2,0,1]=4 86 B9R1.1 CC1=NC=C(C=O)C=C1 M0419 [1,0,0,0,0,0|1,0,0]=2 87 B9R1.1 CC1=NC=C(C=O)C=N1 M12382 [1,0,0,0,0,0|2,0,0]=3 88 B9R1.1 CC1=NC=C(CBr)C=C1 B46089 [1,0,0,0,0,0|2,0,1]=4 89 B9R1.1 CC1=NC=C(CCl)C=C1 C46111 [1,0,0,0,0,0|2,0,1]=4 90 B9R1.1 CC1=NC=C(CN)C=C1 M0572 [1,0,0,0,0,0|2,0,1]=4 91 B9R1.1 CC1=NC=C(CO)C=C1 M15722 [1,0,0,0,0,0|1,0,2]=4 92 B9R1.1 CC1=NC=C(NN)C=C1 H14024 [1,0,0,0,0,0|3,0,0]=4 93 B9R1.1 CCC1=CC=C(Br)C=C1 B68945 [1,0,0,0,0,0|2,0,0]=3 94 B9R1.1 CCC1=CC=C(Cl)C=C1 C49160 [1,0,0,0,0,0|2,0,0]=3 95 B9R1.1 CCC1=CC=C(I)C=C1 E49167 [1,0,0,0,0,0|2,0,0]=3 96 B9R1.1 CCC1=CC=C([Mg+])C=C1 E31741 [1,0,0,0,0,0|2,0,0]=3 97 B9R1.1 CCC1=CN=C(Cl)C=C1 C26331 [1,0,0,0,0,0|3,0,0]=4 98 B9R1.1 CCC1=CN=C(N)C=C1 E43600 [1,0,0,0,0,0|3,0,0]=4 99 B9R1.1 CCC1=NC=C(Br)C=C1 B1614 [1,0,0,0,0,0|3,0,0]=4 100 B9R1.1 CCC1=NC=C(Cl)C=C1 C46096 [1,0,0,0,0,0|3,0,0]=4 101 B9R1.1 CCC1=NC=C(N)C=C1 E43602 [1,0,0,0,0,0|3,0,0]=4 102 B9R1.1 CNC1=CC=C(Br)C=C1 B61266 [1,0,0,0,0,0|2,0,0]=3 103 B9R1.1 CNC1=CC=C(C)C=C1 D39432 [1,0,0,0,0,0|1,0,1]=3 104 B9R1.1 CNC1=CC=C(I)C=C1 K46120 [1,0,0,0,0,0|2,0,0]=3 105 B9R1.1 CNC1=CC=C(N)C=C1 M69627 [1,0,0,0,0,0|2,0,0]=3 106 B9R1.1 CNC1=CN=C(C)C=C1 D43616 [1,0,0,0,0,0|2,0,1]=4 107 B9R1.1 CNC1=NC=C(Br)C=C1 B42975 [1,0,0,0,0,0|3,0,0]=4 108 B9R1.1 CNC1=NC=C(C)C=C1 D43614 [1,0,0,0,0,0|2,0,1]=4 109 B9R1.1 CNC1=NC=C(F)C=C1 F32100 [1,0,0,0,0,0|3,0,0]=4 110 B9R1.1 CNC1=NC=C(N)C=C1 M43342 [1,0,0,0,0,0|3,0,0]=4 111 B9R1.1 CNC1=NC=C(N)C=C1 M43545 [1,0,0,0,0,0|3,0,0]=4 112 B9R1.1 COC1=CC=C(S)C=C1 M46276 [1,0,0,0,0,0|0,1,0]=2 113 B9R1.1 COC1=CC=C([Mg+])C=C1 M31744 [1,0,0,0,0,0|1,0,0]=2 114 B9R1.1 COC1=CN=C(Br)C=C1 B5045 [1,0,0,0,0,0|2,0,0]=3 115 B9R1.1 COC1=CN=C(Br)C=N1 B14594 [1,0,0,0,0,0|3,0,0]=4 116 B9R1.1 COC1=CN=C(Br)N=C1 B10519 [1,0,0,0,0,0|3,0,0]=4 117 B9R1.1 COC1=CN=C(Cl)C=C1 C19386 [1,0,0,0,0,0|2,0,0]=3 118 B9R1.1 COC1=CN=C(Cl)C=N1 C14595 [1,0,0,0,0,0|3,0,0]=4 119 B9R1.1 COC1=CN=C(Cl)N=C1 C10446 [1,0,0,0,0,0|3,0,0]=4 120 B9R1.1 COC1=CN=C(F)C=C1 F42925 [1,0,0,0,0,0|2,0,0]=3 121 B9R1.1 COC1=CN=C(I)C=C1 I5931 [1,0,0,0,0,0|2,0,0]=3 122 B9R1.1 COC1=CN=C(N)C=C1 A10497 [1,0,0,0,0,0|2,0,0]=3 123 B9R1.1 COC1=CN=C(N)N=C1 A10520 [1,0,0,0,0,0|3,0,0]=4 124 B9R1.1 COC1=NC=C(Br)C=C1 B9550 [1,0,0,0,0,0|2,0,0]=3 125 B9R1.1 COC1=NC=C(Br)C=N1 B2218 [1,0,0,0,0,0|3,0,0]=4 126 B9R1.1 COC1=NC=C(C)C=C1 M67554 [1,0,0,0,0,0|1,0,1]=3 127 B9R1.1 COC1=NC=C(Cl)C=C1 C42903 [1,0,0,0,0,0|2,0,0]=3 128 B9R1.1 COC1=NC=C(Cl)C=N1 C40931 [1,0,0,0,0,0|3,0,0]=4 129 B9R1.1 COC1=NC=C(F)C=C1 F24011 [1,0,0,0,0,0|2,0,0]=3 130 B9R1.1 COC1=NC=C(I)C=C1 K42935 [1,0,0,0,0,0|2,0,0]=3 131 B9R1.1 COC1=NC=C(I)C=N1 K40945 [1,0,0,0,0,0|3,0,0]=4 132 B9R1.1 COC1=NC=C(N)C=C1 A12692 [1,0,0,0,0,0|2,0,0]=3 133 B9R1.1 COC1=NC=C(N)C=N1 M24312 [1,0,0,0,0,0|3,0,0]=4 134 B9R1.1 COC1=NC=C(N)N=C1 M9733 [1,0,0,0,0,0|3,0,0]=4 135 B9R1.1 COC1=NC=C(O)C=C1 H43140 [1,0,0,0,0,0|1,0,1]=3 136 B9R1.1 COC1=NN=C(Br)C=C1 B36769 [1,0,0,0,0,0|3,0,0]=4 137 B9R1.1 COC1=NN=C(C)C=C1 M43203 [1,0,0,0,0,0|2,0,1]=4 138 B9R1.1 COC1=NN=C(Cl)C=C1 C12386 [1,0,0,0,0,0|3,0,0]=4 139 B9R1.1 COC1=NN=C(I)C=C1 K40944 [1,0,0,0,0,0|3,0,0]=4 140 B9R1.1 COC1=NN=C(N)C=C1 A12790 [1,0,0,0,0,0|3,0,0]=4 141 B9R1.1 COC1=NN=C(N)C=C1 M62955 [1,0,0,0,0,0|3,0,0]=4 142 B9R1.1 CSC1=CC=C(I)C=C1 I38579 [1,0,0,0,0,0|1,1,0]=3 143 B9R1.1 CSC1=CC=C(O)C=C1 M67393 [1,0,0,0,0,0|0,1,1]=3 144 B9R1.1 CSC1=CC=C([Mg+])C=C1 M31771 [1,0,0,0,0,0|1,1,0]=3 145 B9R1.1 CSC1=CN=C(N)C=C1 A43262 [1,0,0,0,0,0|2,1,0]=4 146 B9R1.1 CSC1=NC=C(Br)C=C1 B2646 [1,0,0,0,0,0|2,1,0]=4 147 B9R1.1 ClC1=CC=C(CBr)C=C1 B45158 [1,0,0,0,0,0|2,0,1]=4 148 B9R1.1 ClCC1=CC=C(Br)C=C1 B45160 [1,0,0,0,0,0|2,0,1]=4 149 B9R1.1 FC1=CC=C(C[Mg+])C=C1 F6777 [1,0,0,0,0,0|2,0,1]=4 150 B9R1.1 N#CC1=CC=C(Br)C=C1 B67636 [1,0,0,0,0,0|2,0,1]=4 151 B9R1.1 N#CC1=CC=C(Cl)C=C1 C37848 [1,0,0,0,0,0|2,0,1]=4 152 B9R1.1 N#CC1=CC=C(F)C=C1 F64969 [1,0,0,0,0,0|2,0,1]=4 153 B9R1.1 N#CC1=CC=C(I)C=C1 K44443 [1,0,0,0,0,0|2,0,1]=4 154 B9R1.1 N#CC1=CC=C(N)C=C1 A64955 [1,0,0,0,0,0|2,0,1]=4 155 B9R1.1 N#CC1=CC=C(O)C=C1 C64941 [1,0,0,0,0,0|1,0,1]=3 156 B9R1.1 N#CC1=CC=C(S)C=C1 M64870 [1,0,0,0,0,0|1,1,1]=4 157 B9R1.1 N#CC1=CN=C(O)C=C1 H42087 [1,0,0,0,0,0|2,0,1]=4 158 B9R1.1 N#CC1=CNC(=O)C=C1 H12267 [1,0,0,0,0,0|3,0,0]=4 159 B9R1.1 N#CC1=NC=C(O)C=C1 C7985 [1,0,0,0,0,0|2,0,1]=4 160 B9R1.1 NC1=CC=C(CO)C=C1 A36619 [1,0,0,0,0,0|1,0,2]=4 161 B9R1.1 NC1=CN=C(C=O)C=N1 A63812 [1,0,0,0,0,0|3,0,0]=4 162 B9R1.1 NC1=NC=C(C=O)C=C1 A12393 [1,0,0,0,0,0|2,0,0]=3 163 B9R1.1 NC1=NC=C(C=O)C=C1 A43519 [1,0,0,0,0,0|2,0,0]=3 164 B9R1.1 NC1=NC=C(C=O)C=N1 A3982 [1,0,0,0,0,0|3,0,0]=4 165 B9R1.1 NC1=NC=C(C=O)C=N1 A40961 [1,0,0,0,0,0|3,0,0]=4 166 B9R1.1 NCC1=CC=C(Br)C=C1 B36612 [1,0,0,0,0,0|2,0,1]=4 167 B9R1.1 NCC1=CC=C(Br)C=C1 B46090 [1,0,0,0,0,0|2,0,1]=4 168 B9R1.1 NCC1=CC=C(Cl)C=C1 C46099 [1,0,0,0,0,0|2,0,1]=4 169 B9R1.1 NCC1=CC=C(I)C=C1 I36689 [1,0,0,0,0,0|2,0,1]=4 170 B9R1.1 NCC1=CC=C(I)C=C1 K46123 [1,0,0,0,0,0|2,0,1]=4 171 B9R1.1 NCC1=CC=C(N)C=C1 A46581 [1,0,0,0,0,0|2,0,1]=4 172 B9R1.1 NCC1=CC=C(O)C=C1 A67587 [1,0,0,0,0,0|1,0,1]=3 173 B9R1.1 NCC1=CNC(=O)C=C1 A1719 [1,0,0,0,0,0|3,0,0]=4 174 B9R1.1 NNC1=CC=C(Br)C=C1 B42962 [1,0,0,0,0,0|3,0,0]=4 175 B9R1.1 NNC1=CC=C(Br)C=C1 B42980 [1,0,0,0,0,0|3,0,0]=4 176 B9R1.1 NNC1=CC=C(Cl)C=C1 C61981 [1,0,0,0,0,0|3,0,0]=4 177 B9R1.1 NNC1=CC=C(Cl)C=C1 C68982 [1,0,0,0,0,0|3,0,0]=4 178 B9R1.1 NNC1=CC=C(F)C=C1 F25536 [1,0,0,0,0,0|3,0,0]=4 179 B9R1.1 NNC1=CC=C(I)C=C1 K43029 [1,0,0,0,0,0|3,0,0]=4 180 B9R1.1 O=C1C=CC(CO)=CN1 H37111 [1,0,0,0,0,0|3,0,0]=4 181 B9R1.1 O=CC1=CC=C(Br)C=C1 B67400 [1,0,0,0,0,0|1,0,0]=2 182 B9R1.1 O=CC1=CC=C(Cl)C=C1 C37300 [1,0,0,0,0,0|1,0,0]=2 183 B9R1.1 O=CC1=CC=C(F)C=C1 F4631 [1,0,0,0,0,0|1,0,0]=2 184 B9R1.1 O=CC1=CC=C(I)C=C1 K20170 [1,0,0,0,0,0|1,0,0]=2 185 B9R1.1 O=CC1=CN=C(Br)C=C1 B2834 [1,0,0,0,0,0|2,0,0]=3 186 B9R1.1 O=CC1=CN=C(Cl)C=C1 C3215 [1,0,0,0,0,0|2,0,0]=3 187 B9R1.1 O=CC1=CN=C(Cl)C=N1 C12389 [1,0,0,0,0,0|3,0,0]=4 188 B9R1.1 O=CC1=CN=C(Cl)N=C1 C0338 [1,0,0,0,0,0|3,0,0]=4 189 B9R1.1 O=CC1=CN=C(F)C=C1 F13991 [1,0,0,0,0,0|2,0,0]=3 190 B9R1.1 O=CC1=CNC(=O)C=C1 X42601 [1,0,0,0,0,0|1,0,1]=3 191 B9R1.1 O=CC1=CNC(=O)N=C1 X63767 [1,0,0,0,0,0|2,0,1]=4 192 B9R1.1 O=CC1=NC=C(Br)C=C1 B1678 [1,0,0,0,0,0|2,0,0]=3 193 B9R1.1 O=CC1=NC=C(Cl)C=C1 C5623 [1,0,0,0,0,0|2,0,0]=3 194 B9R1.1 O=CC1=NC=C(F)C=N1 F11271 [1,0,0,0,0,0|3,0,0]=4 195 B9R1.1 O=CC1=NC=C(O)C=C1 H36846 [1,0,0,0,0,0|1,0,0]=2 196 B9R1.1 O=CC1=NN=C(Cl)C=C1 C9432 [1,0,0,0,0,0|3,0,0]=4 197 B9R1.1 O=CC1=NNC(=O)C=C1 X3635 [1,0,0,0,0,0|2,0,1]=4 198 B9R1.1 OCC1=CC=C(Br)C=C1 B67585 [1,0,0,0,0,0|1,0,2]=4 199 B9R1.1 OCC1=CC=C(Cl)C=C1 C39406 [1,0,0,0,0,0|1,0,2]=4 200 B9R1.1 OCC1=CC=C(F)C=C1 F39409 [1,0,0,0,0,0|1,0,2]=4 201 B9R1.1 OCC1=CC=C(I)C=C1 I36662 [1,0,0,0,0,0|1,0,2]=4 202 B11R1.3 C#CC1=CC=C(C(=O)O)C=C1 E16325 [0,1,0,0,0,0|1,0,1]=3 203 B11R1.3 C#CC1=CC=C(C(C)=O)C=C1 E62179 [0,1,0,0,0,0|1,0,1]=3 204 B11R1.3 C#CC1=CC=C(C(C)C)C=C1 E54481 [0,1,0,0,0,0|2,0,1]=4 205 B11R1.3 C#CC1=CC=C(N(C)C)C=C1 D38058 [0,1,0,0,0,0|2,0,1]=4 206 B11R1.3 C#CC1=CC=C([N+](=O)[O-])C=C1 E38621 [0,1,0,0,0,0|2,0,1]=4 207 B11R1.3 C#CC1=CN=C(C(=O)O)C=C1 E47712 [0,1,0,0,0,0|2,0,1]=4 208 B11R1.3 C#CC1=NC=C(C(=O)O)C=C1 E60471 [0,1,0,0,0,0|2,0,1]=4 209 B11R1.3 C=CC1=CC=C(C(=O)O)C=C1 V67904 [0,1,0,0,0,0|1,0,1]=3 210 B11R1.3 C=CC1=CC=C([N+](=O)[O-])C=C1 N37028 [0,1,0,0,0,0|2,0,1]=4 211 B11R1.3 C=CC1=CC=C([SiH](C)C)C=C1 D53107 [0,1,0,0,0,0|2,0,0]=3 212 B11R1.3 CC(=O)C1=CC=C(C#N)C=C1 A51160 [0,1,0,0,0,0|2,0,0]=3 213 B11R1.3 CC(=O)C1=CC=C(C=O)C=C1 A51552 [0,1,0,0,0,0|1,0,0]=2 214 B11R1.3 CC(=O)C1=CC=C(CBr)C=C1 B36669 [0,1,0,0,0,0|2,0,0]=3 215 B11R1.3 CC(=O)C1=CC=C(CN)C=C1 A52108 [0,1,0,0,0,0|2,0,0]=3 216 B11R1.3 CC(=O)C1=CC=C(CO)C=C1 H49897 [0,1,0,0,0,0|2,0,0]=3 217 B11R1.3 CC(C)C1=CC=C(CN)C=C1 P53115 [0,1,0,0,0,0|2,0,1]=4 218 B11R1.3 CCC1=CC=C(B(O)O)C=C1 E3140 [0,1,0,0,0,0|2,0,1]=4 219 B11R1.3 CCC1=CC=C(C(=O)O)C=C1 E61033 [0,1,0,0,0,0|1,0,0]=2 220 B11R1.3 CCC1=CN=C(C(=O)O)C=C1 E49271 [0,1,0,0,0,0|2,0,0]=3 221 B11R1.3 CCC1=NC=C([N+](=O)[O-])C=C1 E15600 [0,1,0,0,0,0|3,0,0]=4 222 B11R1.3 CN(C)C1=CC=C(C=O)C=C1 D69320 [0,1,0,0,0,0|1,0,0]=2 223 B11R1.3 CN(C)C1=CC=C(CO)C=C1 D61045 [0,1,0,0,0,0|1,0,2]=4 224 B11R1.3 CN(C)C1=CC=C(NN)C=C1 H49675 [0,1,0,0,0,0|3,0,0]=4 225 B11R1.3 CNC1=CC=C(C(=O)O)C=C1 M60981 [0,1,0,0,0,0|1,0,0]=2 226 B11R1.3 CNC1=CC=C(C(C)=O)C=C1 M50024 [0,1,0,0,0,0|1,0,0]=2 227 B11R1.3 CNC1=CC=C([N+](=O)[O-])C=C1 M60707 [0,1,0,0,0,0|2,0,0]=3 228 B11R1.3 CNC1=NC=C(C(=O)O)C=N1 M43111 [0,1,0,0,0,0|3,0,0]=4 229 B11R1.3 CNC1=NC=C([N+](=O)[O-])C=C1 M43105 [0,1,0,0,0,0|3,0,0]=4 230 B11R1.3 COC1=CC=C(C(=N)N)C=C1 M49492 [0,1,0,0,0,0|1,0,0]=2 231 B11R1.3 COC1=CC=C(C(=O)O)C=C1 M64803 [0,1,0,0,0,0|0,0,0]=1 232 B11R1.3 COC1=CC=C(C(N)=O)C=C1 M49268 [0,1,0,0,0,0|0,0,0]=1 233 B11R1.3 COC1=CC=C([C@@H](C)O)C=C1 M50287 [0,1,0,0,0,0|0,0,2]=3 234 B11R1.3 COC1=CC=C([C@H](C)N)C=C1 M50345 [0,1,0,0,0,0|1,0,1]=3 235 B11R1.3 COC1=CC=C([C@H](C)N)C=C1 M63049 [0,1,0,0,0,0|1,0,1]=3 236 B11R1.3 COC1=CC=C([C@H](C)N)C=C1 M68132 [0,1,0,0,0,0|1,0,1]=3 237 B11R1.3 COC1=CC=C([C@H](C)O)C=C1 M38013 [0,1,0,0,0,0|0,0,2]=3 238 B11R1.3 COC1=CC=C([C@H](C)O)C=C1 M50288 [0,1,0,0,0,0|0,0,2]=3 239 B11R1.3 COC1=CN=C(C(=N)N)C=C1 M32423 [0,1,0,0,0,0|2,0,0]=3 240 B11R1.3 COC1=CN=C(C(=O)O)C=C1 M14344 [0,1,0,0,0,0|1,0,0]=2 241 B11R1.3 COC1=CN=C(C(=O)O)C=N1 M23515 [0,1,0,0,0,0|2,0,0]=3 242 B11R1.3 COC1=CN=C(C(C)=O)C=C1 A15229 [0,1,0,0,0,0|1,0,0]=2 243 B11R1.3 COC1=NC=C(B(O)O)C=C1 M4320 [0,1,0,0,0,0|2,0,1]=4 244 B11R1.3 COC1=NC=C(C(=N)N)C=C1 M46573 [0,1,0,0,0,0|2,0,0]=3 245 B11R1.3 COC1=NC=C(C(=O)O)C=C1 M12739 [0,1,0,0,0,0|1,0,0]=2 246 B11R1.3 COC1=NC=C(C(C)=O)C=C1 A49280 [0,1,0,0,0,0|1,0,0]=2 247 B11R1.3 COC1=NC=C(C(C)=O)C=N1 M46010 [0,1,0,0,0,0|2,0,0]=3 248 B11R1.3 COC1=NC=C([N+](=O)[O-])C=C1 M42783 [0,1,0,0,0,0|2,0,0]=3 249 B11R1.3 COC1=NC=C([N+](=O)[O-])C=N1 M40973 [0,1,0,0,0,0|3,0,0]=4 250 B11R1.3 COC1=NN=C(C(=O)O)C=C1 M24293 [0,1,0,0,0,0|2,0,0]=3 251 B11R1.3 CSC1=CC=C(B(O)O)C=C1 M4660 [0,1,0,0,0,0|1,1,1]=4 252 B11R1.3 CSC1=CC=C(C(=O)O)C=C1 M62193 [0,1,0,0,0,0|0,1,0]=2 253 B11R1.3 CSC1=CC=C(C(C)=O)C=C1 M49959 [0,1,0,0,0,0|0,1,0]=2 254 B11R1.3 CSC1=NC=C(C(=O)O)C=N1 M12383 [0,1,0,0,0,0|2,1,0]=4 255 B11R1.3 C[C@@H](N)C1=CC=C(C#N)C=C1 A52058 [0,1,0,0,0,0|2,0,1]=4 256 B11R1.3 C[C@@H](N)C1=CC=C(C#N)C=C1 A64157 [0,1,0,0,0,0|2,0,1]=4 257 B11R1.3 C[C@@H](N)C1=CC=C(CO)C=C1 A64851 [0,1,0,0,0,0|1,0,2]=4 258 B11R1.3 C[C@H](N)C1=CC=C(C#N)C=C1 A52059 [0,1,0,0,0,0|2,0,1]=4 259 B11R1.3 C[C@H](N)C1=CC=C(C#N)C=C1 A64156 [0,1,0,0,0,0|2,0,1]=4 260 B11R1.3 N#CC1=CC=C(C(=N)N)C=C1 C49602 [0,1,0,0,0,0|3,0,0]=4 261 B11R1.3 N#CC1=CC=C(C(=O)Cl)C=C1 C47438 [0,1,0,0,0,0|2,0,0]=3 262 B11R1.3 N#CC1=CC=C([N+](=O)[O-])C=C1 N69095 [0,1,0,0,0,0|3,0,0]=4 263 B11R1.3 N#CC1=CN=C(C(=O)O)C=C1 C44349 [0,1,0,0,0,0|3,0,0]=4 264 B11R1.3 N#CC1=NC=C(C(=O)O)C=C1 C24975 [0,1,0,0,0,0|3,0,0]=4 265 B11R1.3 NCC1=CC=C(C(=O)O)C=C1 A37814 [0,1,0,0,0,0|2,0,0]=3 266 B11R1.3 NCC1=CC=C(C(N)=O)C=C1 A49493 [0,1,0,0,0,0|2,0,0]=3 267 B11R1.3 NCC1=CC=C([N+](=O)[O-])C=C1 N46556 [0,1,0,0,0,0|3,0,0]=4 268 B11R1.3 NNC1=CC=C([N+](=O)[O-])C=C1 N68829 [0,1,0,0,0,0|3,0,0]=4 269 B11R1.3 NNC1=NC=C(C(=O)O)C=C1 H7591 [0,1,0,0,0,0|3,0,0]=4 270 B11R1.3 NOC1=CC=C([N+](=O)[O-])C=C1 N69631 [0,1,0,0,0,0|2,0,0]=3 271 B11R1.3 O=C(O)C1=CC=C(CO)C=C1 H49094 [0,1,0,0,0,0|2,0,0]=3 272 B11R1.3 O=C(O)C1=NC=C(CO)C=C1 H32219 [0,1,0,0,0,0|3,0,0]=4 273 B11R1.3 O=CC1=CC=C(B(O)O)C=C1 F3540 [0,1,0,0,0,0|2,0,0]=3 274 B11R1.3 O=CC1=CC=C(C(=O)O)C=C1 F69091 [0,1,0,0,0,0|2,0,0]=3 275 B11R1.3 O=CC1=CC=C([N+](=O)[O-])C=C1 N67887 [0,1,0,0,0,0|2,0,0]=3 276 B11R1.3 O=CC1=NC=C([N+](=O)[O-])C=C1 N10448 [0,1,0,0,0,0|3,0,0]=4 277 B11R1.3 O=[N+]([O-])C1=CC=C(CO)C=C1 N68869 [0,1,0,0,0,0|3,0,0]=4 278 B11R1.83 C#CC1=CC=C(CCC)C=C1 E54480 [0,1,0,0,0,0|2,0,1]=4 279 B11R1.83 C#CC1=CC=C(OCC)C=C1 E52410 [0,1,0,0,0,0|1,0,1]=3 280 B11R1.83 CCC1=CC=C(CNC)C=C1 E53118 [0,1,0,0,0,0|2,0,1]=4 281 B11R1.83 CCCC1=CC=C(C=O)C=C1 P52777 [0,1,0,0,0,0|1,0,0]=2 282 B11R1.83 CCNC1=CC=C(C#N)C=C1 E49708 [0,1,0,0,0,0|2,0,1]=4 283 B11R1.83 CCOC1=CC=C(CN)C=C1 E50343 [0,1,0,0,0,0|1,0,1]=3 284 B11R1.83 CCOC1=NC=C(C=O)C=C1 E49274 [0,1,0,0,0,0|1,0,0]=2 285 B11R1.83 CCSC1=NC=C(C=O)C=N1 E46057 [0,1,0,0,0,0|2,1,0]=4 286 B11R1.83 CNCC1=CC=C(C#N)C=C1 M49716 [0,1,0,0,0,0|2,0,1]=4 287 B11R1.83 CNCC1=CC=C(OC)C=C1 M38582 [0,1,0,0,0,0|1,0,1]=3 288 B11R1.83 CNCC1=CC=C(OC)C=C1 M52172 [0,1,0,0,0,0|1,0,1]=3 289 B11R1.83 COC1=CC=C(C#CI)C=C1 M1885 [0,1,0,0,0,0|1,0,1]=3 290 B11R1.83 COC1=CC=C(CC#N)C=C1 M16235 [0,1,0,0,0,0|1,0,1]=3 291 B11R1.83 COC1=CC=C(CC=O)C=C1 M49894 [0,1,0,0,0,0|0,0,0]=1 292 B11R1.83 COC1=CC=C(CCO)C=C1 M67580 [0,1,0,0,0,0|0,0,2]=3 293 B11R1.83 COC1=CC=C(CC[Mg+])C=C1 M31722 [0,1,0,0,0,0|1,0,1]=3 294 B11R1.83 COC1=CC=C(CNN)C=C1 M0099 [0,1,0,0,0,0|1,0,1]=3 295 B11R1.83 COC1=CC=C(CNN)C=C1 M19471 [0,1,0,0,0,0|1,0,1]=3 296 B11R1.83 COC1=CC=C(CNN)C=C1 M23593 [0,1,0,0,0,0|1,0,1]=3 297 B11R1.83 COC1=CC=C(CON)C=C1 M10064 [0,1,0,0,0,0|0,0,2]=3 298 B11R1.83 COC1=CC=C(CON)C=C1 M38789 [0,1,0,0,0,0|0,0,2]=3 299 B11R1.83 COC1=CN=C(CC#N)C=C1 M48814 [0,1,0,0,0,0|2,0,1]=4 300 B11R1.83 COC1=CN=C(CCN)C=C1 M49539 [0,1,0,0,0,0|2,0,1]=4 301 B11R1.83 N#CC1=CC=C(CCBr)C=C1 B36957 [0,1,0,0,0,0|2,0,1]=4 302 B11R1.83 N#CC1=CC=C(CCO)C=C1 H51763 [0,1,0,0,0,0|2,0,1]=4 303 B11R1.279 CC1=C(C=O)C=CC(C#N)=C1 F51162 [0,1,0,0,0,0|2,0,0]=3 304 B11R1.279 CCC1=CC(N)=C(OC)C=C1 E50338 [0,1,0,0,0,0|1,0,1]=3 305 B11R1.279 CNC1=C(N)C=C(C#N)C=C1 A49204 [0,1,0,0,0,0|2,0,1]=4 306 B11R1.279 COC1=C(Br)C=C(C#N)C=C1 B48070 [0,1,0,0,0,0|1,0,1]=3 307 B11R1.279 COC1=C(Br)C=C(C=O)C=C1 B2967 [0,1,0,0,0,0|0,0,0]=1 308 B11R1.279 COC1=C(Br)C=C(CO)C=C1 B49379 [0,1,0,0,0,0|0,0,2]=3 309 B11R1.279 COC1=C(C)C=C(C#N)C=C1 M63445 [0,1,0,0,0,0|1,0,1]=3 310 B11R1.279 COC1=C(C)C=C(C=O)C=C1 M49891 [0,1,0,0,0,0|0,0,0]=1 311 B11R1.279 COC1=C(Cl)C=C(C#N)C=C1 C48086 [0,1,0,0,0,0|1,0,1]=3 312 B11R1.279 COC1=C(Cl)C=C(C=O)C=C1 C67645 [0,1,0,0,0,0|0,0,0]=1 313 B11R1.279 COC1=C(Cl)C=C(C=O)C=N1 C37108 [0,1,0,0,0,0|1,0,0]=2 314 B11R1.279 COC1=C(Cl)C=C(CBr)C=C1 B49134 [0,1,0,0,0,0|1,0,1]=3 315 B11R1.279 COC1=C(Cl)C=C(CN)C=C1 C46806 [0,1,0,0,0,0|1,0,1]=3 316 B11R1.279 COC1=C(F)C=C(C#N)C=C1 F48101 [0,1,0,0,0,0|1,0,1]=3 317 B11R1.279 COC1=C(F)C=C(C=O)C=C1 F48620 [0,1,0,0,0,0|0,0,0]=1 318 B11R1.279 COC1=C(F)C=C(CBr)C=C1 B2649 [0,1,0,0,0,0|1,0,1]=3 319 B11R1.279 COC1=C(F)C=C(CN)C=C1 F46816 [0,1,0,0,0,0|1,0,1]=3 320 B11R1.279 COC1=C(I)C=C(C=O)C=C1 K48635 [0,1,0,0,0,0|0,0,0]=1 321 B11R1.279 COC1=C(N)C=C(C#N)C=C1 A9445 [0,1,0,0,0,0|1,0,1]=3 322 B11R1.279 COC1=C(N)C=C(C=O)C=C1 A49285 [0,1,0,0,0,0|0,0,0]=1 323 B11R1.279 COC1=C(N)C=C(CO)C=C1 A37036 [0,1,0,0,0,0|0,0,2]=3 324 B11R1.279 COC1=C(O)C=C(C#N)C=C1 H67534 [0,1,0,0,0,0|1,0,1]=3 325 B11R1.279 COC1=C(O)C=C(CO)C=C1 H39431 [0,1,0,0,0,0|0,0,2]=3 326 B11R1.279 COC1=CC(Br)=C(C#N)C=C1 B37120 [0,1,0,0,0,0|1,0,1]=3 327 B11R1.279 COC1=CC(Br)=C(C=O)C=C1 B48573 [0,1,0,0,0,0|0,0,0]=1 328 B11R1.279 COC1=CC(Br)=C(OC)C=C1 B39519 [0,1,0,0,0,0|2,0,0]=3 329 B11R1.279 COC1=CC(C)=C(C#N)C=C1 M51764 [0,1,0,0,0,0|1,0,1]=3 330 B11R1.279 COC1=CC(C)=C(C=O)C=C1 M49888 [0,1,0,0,0,0|0,0,0]=1 331 B11R1.279 COC1=CC(C)=C(C=O)C=N1 M49289 [0,1,0,0,0,0|1,0,0]=2 332 B11R1.279 COC1=CC(C)=C(OC)C=C1 D50280 [0,1,0,0,0,0|2,0,0]=3 333 B11R1.279 COC1=CC(Cl)=C(C#N)C=C1 C48085 [0,1,0,0,0,0|1,0,1]=3 334 B11R1.279 COC1=CC(Cl)=C(C=O)C=C1 C48595 [0,1,0,0,0,0|0,0,0]=1 335 B11R1.279 COC1=CC(F)=C(C#N)C=C1 F68008 [0,1,0,0,0,0|1,0,1]=3 336 B11R1.279 COC1=CC(F)=C(C=O)C=C1 F48617 [0,1,0,0,0,0|0,0,0]=1 337 B11R1.279 COC1=CC(F)=C(NN)C=C1 F46569 [0,1,0,0,0,0|2,0,0]=3 338 B11R1.279 COC1=CC(F)=C(OC)C=C1 F49392 [0,1,0,0,0,0|2,0,0]=3 339 B11R1.279 COC1=CC(N)=C(C#N)C=C1 A36670 [0,1,0,0,0,0|1,0,1]=3 340 B11R1.279 COC1=CC(N)=C(CO)C=C1 A46922 [0,1,0,0,0,0|0,0,2]=3 341 B11R1.279 COC1=CC(N)=C(OC)C=C1 D39435 [0,1,0,0,0,0|2,0,0]=3 342 B11R1.279 COC1=CC(O)=C(C#N)C=C1 H48461 [0,1,0,0,0,0|1,0,1]=3 343 B11R1.279 COC1=CC(O)=C(OC)C=C1 D46841 [0,1,0,0,0,0|2,0,0]=3 344 B11R1.279 COC1=CC(S)=C(OC)C=C1 D46838 [0,1,0,0,0,0|2,0,0]=3 345 B11R1.279 COC1=CC([Mg+])=C(OC)C=C1 D31788 [0,1,0,0,0,0|2,0,0]=3 346 B11R1.279 COC1=CC=C(C=O)C(Br)=N1 B45340 [0,1,0,0,0,0|1,0,0]=2 347 B11R1.279 COC1=CC=C(C=O)C(Cl)=N1 C45361 [0,1,0,0,0,0|1,0,0]=2 348 B11R1.279 COC1=CC=C(CO)C(Cl)=N1 C46142 [0,1,0,0,0,0|1,0,2]=4 349 B11R1.279 COC1=NC=C(C#N)C(C)=C1 M48810 [0,1,0,0,0,0|2,0,1]=4 350 B11R1.279 CSC1=NC(N)=C(C=O)C=N1 A10637 [0,1,0,0,0,0|2,1,0]=4 351 B11R1.279 CSC1=NC=C(C=O)C(Cl)=N1 C10590 [0,1,0,0,0,0|2,1,0]=4 352 B11R1.279 N#CC1=C(F)C=C(C=O)C=C1 F47448 [0,1,0,0,0,0|2,0,0]=3 353 B11R1.279 N#CC1=CC(Br)=C(C=O)C=C1 B47434 [0,1,0,0,0,0|2,0,0]=3 354 B11R1.279 N#CC1=CC(Cl)=C(C=O)C=C1 C47441 [0,1,0,0,0,0|2,0,0]=3 355 B11R1.279 N#CC1=CC(F)=C(C=O)C=C1 F47449 [0,1,0,0,0,0|2,0,0]=3 356 B11R1.279 O=CC1=C(O)C=C(CO)C=C1 H64562 [0,1,0,0,0,0|2,0,0]=3 357 B11R2.190 C=CC1=CC2=C(C=C1)CC2 V52272 [0,0,0,1,0,0|2,0,0]=3 358 B11R2.190 O=CC1=CC2=C(C=C1)CC2 B51547 [0,0,0,1,0,0|1,0,0]=2 359 B11R2.190 OCC1=CC2=C(C=C1)CC2 B49878 [0,0,0,1,0,0|1,0,2]=4 360 B9R1.21 CCC1=CSC(C=O)=N1 E43175 [0,0,0,0,1,0|3,0,0]=4 361 B9R1.21 CCN1C=C(C=O)C=N1 E3269 [0,0,0,0,1,0|3,0,0]=4 362 B9R1.21 COC1=CC=C(OC)S1 D43309 [0,0,0,0,1,0|3,0,0]=4 363 B9R1.21 COC1=NC=C(C=O)S1 M40995 [0,0,0,0,1,0|2,0,0]=3 364 B9R1.21 N#CC1=CC=C(C=O)S1 F38024 [0,0,0,0,1,0|3,0,0]=4 365 B9R1.21 O=CC1=CC=C(C=O)O1 F65460 [0,0,0,0,1,0|3,0,0]=4 366 B9R1.21 O=CC1=CC=C(C=O)S1 T42327 [0,0,0,0,1,0|3,0,0]=4 367 B9R1.21 O=CC1=CC=C(CO)N1 H43148 [0,0,0,0,1,0|3,0,0]=4 368 B9R1.21 O=CC1=CSC(C=O)=C1 T42325 [0,0,0,0,1,0|3,0,0]=4 369 B8R0.9 COC(=O)\C=C\C(=O)O M60916 [1,0,1,0,0,0|2,0,0]=4 370 B8R1.2 CNC1=CC=CN=C1 M38086 [2,0,0,0,0,0|2,0,0]=4 371 B8R1.2 CNC1=CC=NC=C1 M68620 [2,0,0,0,0,0|2,0,0]=4 372 B8R1.2 COC1=CC=NC=C1 M9391 [2,0,0,0,0,0|1,0,0]=3 373 B8R1.2 COC1=CN=CC=C1 M67978 [2,0,0,0,0,0|1,0,0]=3 374 B8R1.2 COC1=CN=NC=C1 M41023 [2,0,0,0,0,0|2,0,0]=4 375 B8R1.2 COC1=NC=CC=C1 M39277 [2,0,0,0,0,0|1,0,0]=3 376 B8R1.2 COC1=NC=CN=C1 M2768 [2,0,0,0,0,0|2,0,0]=4 377 B8R1.2 COC1=NN=CC=C1 M41021 [2,0,0,0,0,0|2,0,0]=4 378 B8R1.2 NNC1=CC=CC=C1 P68696 [2,0,0,0,0,0|2,0,0]=4 379 B8R1.2 NOC1=CC=CC=C1 P43533 [2,0,0,0,0,0|1,0,0]=3 380 B8R1.2 O=CC1=CC=NC=C1 P42598 [2,0,0,0,0,0|1,0,0]=3 381 B8R1.2 O=CC1=CN=CC=C1 P13753 [2,0,0,0,0,0|1,0,0]=3 382 B8R1.2 O=CC1=CN=CN=C1 F2817 [2,0,0,0,0,0|2,0,0]=4 383 B8R1.2 O=CC1=CN=NC=C1 P7445 [2,0,0,0,0,0|2,0,0]=4 384 B8R1.2 O=CC1=NC=CC=C1 P67836 [2,0,0,0,0,0|1,0,0]=3 385 B8R1.2 O=CC1=NC=CC=N1 P0152 [2,0,0,0,0,0|2,0,0]=4 386 B8R1.2 O=CC1=NC=CN=C1 P0148 [2,0,0,0,0,0|2,0,0]=4 387 B8R1.2 O=CC1=NC=NC=C1 P40755 [2,0,0,0,0,0|2,0,0]=4 388 B8R1.2 ONC1=CC=CC=C1 P67873 [2,0,0,0,0,0|1,0,1]=4 389 B8R1.3 BrC1=CC=C(I)C=C1 B39232 [2,0,0,0,0,0|2,0,0]=4 390 B8R1.3 CC1=CC=C(I)C=C1 K68149 [2,0,0,0,0,0|1,0,0]=3 391 B8R1.3 CC1=CC=C([Mg+])C=C1 M31731 [2,0,0,0,0,0|1,0,0]=3 392 B8R1.3 CC1=CN=C(Br)C=C1 B4672 [2,0,0,0,0,0|2,0,0]=4 393 B8R1.3 CC1=CN=C(Cl)C=C1 C21968 [2,0,0,0,0,0|2,0,0]=4 394 B8R1.3 CC1=CN=C(F)C=C1 F22553 [2,0,0,0,0,0|2,0,0]=4 395 B8R1.3 CC1=CN=C(N)C=C1 M20542 [2,0,0,0,0,0|2,0,0]=4 396 B8R1.3 CC1=CN=C(O)C=C1 M63706 [2,0,0,0,0,0|1,0,1]=4 397 B8R1.3 CC1=CNC(=O)C=C1 M68372 [2,0,0,0,0,0|1,0,0]=3 398 B8R1.3 CC1=CNC(=O)C=N1 M68091 [2,0,0,0,0,0|2,0,0]=4 399 B8R1.3 CC1=NC=C(Br)C=C1 B5402 [2,0,0,0,0,0|2,0,0]=4 400 B8R1.3 CC1=NC=C(Cl)C=C1 C42845 [2,0,0,0,0,0|2,0,0]=4 401 B8R1.3 CC1=NC=C(F)C=C1 F1117 [2,0,0,0,0,0|2,0,0]=4 402 B8R1.3 CC1=NC=C(I)C=C1 I36966 [2,0,0,0,0,0|2,0,0]=4 403 B8R1.3 CC1=NC=C(N)C=C1 A1121 [2,0,0,0,0,0|2,0,0]=4 404 B8R1.3 CC1=NC=C(O)C=C1 H4553 [2,0,0,0,0,0|1,0,1]=4 405 B8R1.3 CC1=NNC(=O)C=C1 M0242 [2,0,0,0,0,0|2,0,0]=4 406 B8R1.3 CC1=NNC(=O)C=C1 M25029 [2,0,0,0,0,0|2,0,0]=4 407 B8R1.3 CC1=NNC(=O)C=C1 M41309 [2,0,0,0,0,0|2,0,0]=4 408 B8R1.3 ClC1=CC=C(I)C=C1 C67848 [2,0,0,0,0,0|2,0,0]=4 409 B8R1.3 FC1=CC=C(Br)C=C1 B39231 [2,0,0,0,0,0|2,0,0]=4 410 B8R1.3 FC1=CC=C(I)C=C1 F39236 [2,0,0,0,0,0|2,0,0]=4 411 B8R1.3 FC1=CC=C(S)C=C1 F42373 [2,0,0,0,0,0|1,1,0]=4 412 B8R1.3 FC1=CC=C([Mg+])C=C1 F31733 [2,0,0,0,0,0|2,0,0]=4 413 B8R1.3 IC1=CC=C(I)C=C1 D39237 [2,0,0,0,0,0|2,0,0]=4 414 B8R1.3 NC1=CC=C(I)C=C1 K68110 [2,0,0,0,0,0|2,0,0]=4 415 B8R1.3 O=C1C=CC(Cl)=CN1 C68182 [2,0,0,0,0,0|2,0,0]=4 416 B8R1.3 O=C1C=CC(I)=CN1 K40860 [2,0,0,0,0,0|2,0,0]=4 417 B8R1.3 O=C1C=CC(O)=CN1 H67757 [2,0,0,0,0,0|1,0,0]=3 418 B8R1.3 OC1=CC=C(F)C=C1 F68080 [2,0,0,0,0,0|1,0,0]=3 419 B8R1.3 OC1=CN=C(Br)C=C1 B0344 [2,0,0,0,0,0|2,0,0]=4 420 B8R1.3 OC1=CN=C(Cl)C=C1 C4788 [2,0,0,0,0,0|2,0,0]=4 421 B8R1.3 OC1=CN=C(F)C=C1 F5147 [2,0,0,0,0,0|2,0,0]=4 422 B8R1.3 OC1=NC=C(Br)C=C1 B39171 [2,0,0,0,0,0|2,0,0]=4 423 B8R1.3 OC1=NC=C(Br)C=C1 B39172 [2,0,0,0,0,0|2,0,0]=4 424 B8R1.3 OC1=NC=C(F)C=C1 F36674 [2,0,0,0,0,0|2,0,0]=4 425 B8R1.3 OC1=NC=C(I)C=C1 K40858 [2,0,0,0,0,0|2,0,0]=4 426 B8R1.3 SC1=CC=C(Br)C=C1 B60845 [2,0,0,0,0,0|1,1,0]=4 427 B8R1.3 SC1=CC=C(S)C=C1 B63577 [2,0,0,0,0,0|0,2,0]=4 428 B8R1.3 [Mg+]C1=CC=C(Cl)C=C1 C31752 [2,0,0,0,0,0|2,0,0]=4 429 B10R1.1 CC1=CC=C(CC#N)C=C1 M39574 [1,1,0,0,0,0|1,0,1]=4 430 B10R1.1 CC1=CC=C(CCBr)C=C1 B0463 [1,1,0,0,0,0|1,0,1]=4 431 B10R1.1 CC1=CC=C(CCO)C=C1 T50265 [1,1,0,0,0,0|0,0,2]=4 432 B10R1.1 CC1=CC=C(CC[Mg+])C=C1 M31724 [1,1,0,0,0,0|1,0,1]=4 433 B10R1.1 CC1=CC=C(CNN)C=C1 M49662 [1,1,0,0,0,0|1,0,1]=4 434 B10R1.1 CCCC1=CC=C(Br)C=C1 B39542 [1,1,0,0,0,0|2,0,0]=4 435 B10R1.1 CCCC1=CC=C(N)C=C1 P68566 [1,1,0,0,0,0|2,0,0]=4 436 B10R1.1 CCCC1=CC=C([Mg+])C=C1 P31760 [1,1,0,0,0,0|2,0,0]=4 437 B10R1.1 CCNC1=CC=C(F)C=C1 E46759 [1,1,0,0,0,0|2,0,0]=4 438 B10R1.1 CCOC1=CC=C(I)C=C1 E49468 [1,1,0,0,0,0|1,0,0]=3 439 B10R1.1 CCOC1=CC=C(O)C=C1 E68898 [1,1,0,0,0,0|0,0,1]=3 440 B10R1.1 CCOC1=CC=C([Mg+])C=C1 E31767 [1,1,0,0,0,0|1,0,0]=3 441 B10R1.1 CCOC1=CN=C(Br)C=C1 B46151 [1,1,0,0,0,0|2,0,0]=4 442 B10R1.1 CCOC1=CN=C(Cl)C=C1 C46184 [1,1,0,0,0,0|2,0,0]=4 443 B10R1.1 CCOC1=CN=C(N)C=C1 E43625 [1,1,0,0,0,0|2,0,0]=4 444 B10R1.1 CCOC1=NC=C(Br)C=C1 B4568 [1,1,0,0,0,0|2,0,0]=4 445 B10R1.1 CCOC1=NC=C(I)C=C1 E46226 [1,1,0,0,0,0|2,0,0]=4 446 B10R1.1 CCSC1=CC=C([Mg+])C=C1 E31791 [1,1,0,0,0,0|1,1,0]=4 447 B10R1.1 CNCC1=CC=C(Br)C=C1 B46738 [1,1,0,0,0,0|2,0,0]=4 448 B10R1.1 CNCC1=CC=C(Br)C=C1 M46740 [1,1,0,0,0,0|2,0,0]=4 449 B10R1.1 CNCC1=CC=C(C)C=C1 M50315 [1,1,0,0,0,0|1,0,1]=4 450 B10R1.1 CNCC1=CC=C(C)C=C1 M52163 [1,1,0,0,0,0|1,0,1]=4 451 B10R1.1 CNCC1=CC=C(Cl)C=C1 C46755 [1,1,0,0,0,0|2,0,0]=4 452 B10R1.1 CNCC1=CC=C(Cl)C=C1 M46757 [1,1,0,0,0,0|2,0,0]=4 453 B10R1.1 COCC1=CC=C(N)C=C1 M46895 [1,1,0,0,0,0|1,0,0]=3 454 B10R1.1 ClC1=CC=C(CCBr)C=C1 B48760 [1,1,0,0,0,0|2,0,0]=4 455 B10R1.1 FC1=CC=C(CCBr)C=C1 B13769 [1,1,0,0,0,0|2,0,0]=4 456 B10R1.1 FC1=CC=C(CC[Mg+])C=C1 F31725 [1,1,0,0,0,0|2,0,0]=4 457 B10R1.1 N#CCC1=CC=C(O)C=C1 H68900 [1,1,0,0,0,0|1,0,1]=4 458 B10R1.1 NCCC1=CC=C(Cl)C=C1 C67656 [1,1,0,0,0,0|2,0,0]=4 459 B10R1.1 NCCC1=CC=C(F)C=C1 F69101 [1,1,0,0,0,0|2,0,0]=4 460 B10R1.1 NOCC1=CC=C(Cl)C=C1 C64524 [1,1,0,0,0,0|2,0,0]=4 461 B10R1.1 NOCC1=CC=C(F)C=C1 F46562 [1,1,0,0,0,0|2,0,0]=4 462 B10R1.1 O=CCC1=CC=C(Br)C=C1 B48709 [1,1,0,0,0,0|1,0,0]=3 463 B10R1.1 O=CCC1=CC=C(Cl)C=C1 C48725 [1,1,0,0,0,0|1,0,0]=3 464 B10R1.1 OC1=CC=C(CCBr)C=C1 B49426 [1,1,0,0,0,0|1,0,1]=4 465 B10R1.1 OCCC1=CC=C(Br)C=C1 B36776 [1,1,0,0,0,0|2,0,0]=4 466 B10R1.1 OCCC1=CC=C(Cl)C=C1 C39522 [1,1,0,0,0,0|2,0,0]=4 467 B10R1.1 OCCC1=CC=C(F)C=C1 F49459 [1,1,0,0,0,0|2,0,0]=4 468 B10R1.1 OCCC1=CC=C(I)C=C1 K49469 [1,1,0,0,0,0|2,0,0]=4 469 B10R1.1 ON=CC1=CC=C(O)C=C1 H45817 [1,1,0,0,0,0|0,0,1]=3 470 B10R1.1 O\N=C\C1=CC=C(F)C=C1 F64667 [1,1,0,0,0,0|1,0,1]=4 471 B10R1.1 [Mg+]CCC1=CC=C(Cl)C=C1 C31726 [1,1,0,0,0,0|2,0,0]=4 472 B10R1.13 C=C(C)C1=CC=C(F)C=C1 F51670 [1,1,0,0,0,0|2,0,0]=4 473 B10R1.13 C=C(C)C1=CC=C(O)C=C1 P49877 [1,1,0,0,0,0|1,0,0]=3 474 B10R1.13 CC(=O)C1=CC=C(C)C=C1 M68572 [1,1,0,0,0,0|0,0,0]=2 475 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 C68865 [1,1,0,0,0,0|1,0,0]=3 476 B10R1.13 CC(=O)C1=CC=C(F)C=C1 F38426 [1,1,0,0,0,0|1,0,0]=3 477 B10R1.13 CC(=O)C1=CC=C(I)C=C1 K39500 [1,1,0,0,0,0|1,0,0]=3 478 B10R1.13 CC(=O)C1=CC=C(N)C=C1 A68181 [1,1,0,0,0,0|1,0,0]=3 479 B10R1.13 CC(=O)C1=CC=C(O)C=C1 H64899 [1,1,0,0,0,0|0,0,0]=2 480 B10R1.13 CC(=O)C1=CN=C(Br)C=C1 B3106 [1,1,0,0,0,0|2,0,0]=4 481 B10R1.13 CC(=O)C1=CN=C(C)C=C1 A23296 [1,1,0,0,0,0|1,0,0]=3 482 B10R1.13 CC(=O)C1=CN=C(C)N=C1 M13671 [1,1,0,0,0,0|2,0,0]=4 483 B10R1.13 CC(=O)C1=CN=C(Cl)C=C1 A24257 [1,1,0,0,0,0|2,0,0]=4 484 B10R1.13 CC(=O)C1=CN=C(F)C=C1 F45498 [1,1,0,0,0,0|2,0,0]=4 485 B10R1.13 CC(=O)C1=CN=C(N)C=C1 A22139 [1,1,0,0,0,0|2,0,0]=4 486 B10R1.13 CC(=O)C1=CNC(=O)C=C1 A67563 [1,1,0,0,0,0|1,0,1]=4 487 B10R1.13 CC(=O)C1=NC=C(Br)C=C1 B22347 [1,1,0,0,0,0|2,0,0]=4 488 B10R1.13 CC(=O)C1=NC=C(C)C=C1 M49266 [1,1,0,0,0,0|1,0,0]=3 489 B10R1.13 CC(=O)C1=NC=C(Cl)C=C1 C26822 [1,1,0,0,0,0|2,0,0]=4 490 B10R1.13 CC(=O)C1=NC=C(O)C=C1 H45820 [1,1,0,0,0,0|1,0,0]=3 491 B10R1.13 CC(=O)C1=NC=C(O)N=C1 H42776 [1,1,0,0,0,0|2,0,0]=4 492 B10R1.13 CC(C)C1=CC=C(Br)C=C1 B49963 [1,1,0,0,0,0|2,0,0]=4 493 B10R1.13 CC(C)C1=CC=C(N)C=C1 P69319 [1,1,0,0,0,0|2,0,0]=4 494 B10R1.13 CC(C)C1=CC=C(O)C=C1 P60863 [1,1,0,0,0,0|1,0,1]=4 495 B10R1.13 CC(C)C1=CC=C([Mg+])C=C1 P31759 [1,1,0,0,0,0|2,0,0]=4 496 B10R1.13 CC1=CC=C(B(O)O)C=C1 T5215 [1,1,0,0,0,0|1,0,1]=4 497 B10R1.13 CC1=CC=C(C(=N)N)C=C1 M38078 [1,1,0,0,0,0|1,0,0]=3 498 B10R1.13 CC1=CC=C(C(=O)O)C=C1 M64877 [1,1,0,0,0,0|0,0,0]=2 499 B10R1.13 CC1=CC=C(C(C)C)C=C1 D60786 [1,1,0,0,0,0|1,0,1]=4 500 B10R1.13 CC1=CC=C(C(N)=O)C=C1 M39514 [1,1,0,0,0,0|0,0,0]=2 501 B10R1.13 CC1=CC=C([C@@H](C)N)C=C1 T52161 [1,1,0,0,0,0|1,0,1]=4 502 B10R1.13 CC1=CC=C([C@@H](C)N)C=C1 T60511 [1,1,0,0,0,0|1,0,1]=4 503 B10R1.13 CC1=CC=C([C@@H](C)O)C=C1 T50271 [1,1,0,0,0,0|0,0,2]=4 504 B10R1.13 CC1=CC=C([S@](=O)[O-])C=C1 S38423 [1,1,0,0,0,0|1,0,0]=3 505 B10R1.13 CC1=CC=C([S@](C)=O)C=C1 M65785 [1,1,0,0,0,0|1,0,0]=3 506 B10R1.13 CC1=CC=C([S@](N)=O)C=C1 M36646 [1,1,0,0,0,0|1,0,0]=3 507 B10R1.13 CC1=CN=C(C(=O)O)C=C1 M23707 [1,1,0,0,0,0|1,0,0]=3 508 B10R1.13 CC1=CN=C(C(=O)O)C=C1 M46550 [1,1,0,0,0,0|1,0,0]=3 509 B10R1.13 CC1=CN=C(C(=O)O)C=N1 M4677 [1,1,0,0,0,0|2,0,0]=4 510 B10R1.13 CC1=CN=C(C(=O)O)N=C1 M11475 [1,1,0,0,0,0|2,0,0]=4 511 B10R1.13 CC1=CN=C([N+](=O)[O-])C=C1 M42775 [1,1,0,0,0,0|2,0,0]=4 512 B10R1.13 CC1=NC=C(C(=O)O)C=C1 M10933 [1,1,0,0,0,0|1,0,0]=3 513 B10R1.13 CC1=NC=C([N+](=O)[O-])C=C1 M4745 [1,1,0,0,0,0|2,0,0]=4 514 B10R1.13 CN(C)C1=CC=C(Cl)C=C1 C46751 [1,1,0,0,0,0|2,0,0]=4 515 B10R1.13 CN(C)C1=CC=C(I)C=C1 K46770 [1,1,0,0,0,0|2,0,0]=4 516 B10R1.13 CN(C)C1=CC=C([Mg+])C=C1 D31762 [1,1,0,0,0,0|2,0,0]=4 517 B10R1.13 C[C@@H](N)C1=CC=C(Br)C=C1 B38580 [1,1,0,0,0,0|2,0,0]=4 518 B10R1.13 C[C@@H](N)C1=CC=C(Cl)C=C1 C64533 [1,1,0,0,0,0|2,0,0]=4 519 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 F46766 [1,1,0,0,0,0|2,0,0]=4 520 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 F49509 [1,1,0,0,0,0|2,0,0]=4 521 B10R1.13 C[C@@H](O)C1=CC=C(Br)C=C1 B49428 [1,1,0,0,0,0|2,0,0]=4 522 B10R1.13 C[C@@H](O)C1=CC=C(Cl)C=C1 C49454 [1,1,0,0,0,0|2,0,0]=4 523 B10R1.13 C[C@@H](O)C1=CC=C(F)C=C1 F49461 [1,1,0,0,0,0|2,0,0]=4 524 B10R1.13 C[C@H](Br)C1=CC=C(F)C=C1 B36983 [1,1,0,0,0,0|2,0,0]=4 525 B10R1.13 C[C@H](N)C1=CC=C(Br)C=C1 B46724 [1,1,0,0,0,0|2,0,0]=4 526 B10R1.13 C[C@H](N)C1=CC=C(Br)C=C1 B46735 [1,1,0,0,0,0|2,0,0]=4 527 B10R1.13 C[C@H](N)C1=CC=C(Br)C=C1 B65383 [1,1,0,0,0,0|2,0,0]=4 528 B10R1.13 C[C@H](N)C1=CC=C(F)C=C1 F36974 [1,1,0,0,0,0|2,0,0]=4 529 B10R1.13 C[C@H](N)C1=CC=C(F)C=C1 F64415 [1,1,0,0,0,0|2,0,0]=4 530 B10R1.13 C[C@H](N)C1=CC=C(I)C=C1 K46768 [1,1,0,0,0,0|2,0,0]=4 531 B10R1.13 C[C@H](N)C1=CC=C(I)C=C1 K46771 [1,1,0,0,0,0|2,0,0]=4 532 B10R1.13 C[C@H](N)C1=CC=C(N)C=C1 A46957 [1,1,0,0,0,0|2,0,0]=4 533 B10R1.13 C[C@H](O)C1=CC=C(Br)C=C1 B49431 [1,1,0,0,0,0|2,0,0]=4 534 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 C49442 [1,1,0,0,0,0|2,0,0]=4 535 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 C49449 [1,1,0,0,0,0|2,0,0]=4 536 B10R1.13 C[C@H](O)C1=CC=C(F)C=C1 F49463 [1,1,0,0,0,0|2,0,0]=4 537 B10R1.13 C[C@H](O)C1=CC=C(O)C=C1 H46826 [1,1,0,0,0,0|0,0,2]=4 538 B10R1.13 C[S@](=O)C1=CC=C(Br)C=C1 B63199 [1,1,0,0,0,0|1,1,0]=4 539 B10R1.13 N=C(N)C1=CC=C(Br)C=C1 B45615 [1,1,0,0,0,0|2,0,0]=4 540 B10R1.13 N=C(N)C1=CC=C(Br)C=C1 B45619 [1,1,0,0,0,0|2,0,0]=4 541 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 C45622 [1,1,0,0,0,0|2,0,0]=4 542 B10R1.13 N=C(N)C1=CC=C(F)C=C1 F46534 [1,1,0,0,0,0|2,0,0]=4 543 B10R1.13 N=C(N)C1=CC=C(F)C=C1 F9396 [1,1,0,0,0,0|2,0,0]=4 544 B10R1.13 N=C(N)C1=CC=C(N)C=C1 A4675 [1,1,0,0,0,0|2,0,0]=4 545 B10R1.13 N=C(N)C1=CC=C(O)C=C1 H46554 [1,1,0,0,0,0|1,0,0]=3 546 B10R1.13 NC(=O)C1=CC=C(Br)C=C1 B45467 [1,1,0,0,0,0|1,0,0]=3 547 B10R1.13 NC(=O)C1=CC=C(Cl)C=C1 C45478 [1,1,0,0,0,0|1,0,0]=3 548 B10R1.13 NC(=O)C1=CC=C(N)C=C1 A37818 [1,1,0,0,0,0|1,0,0]=3 549 B10R1.13 NC(=O)C1=CN=C(Br)C=C1 B9626 [1,1,0,0,0,0|2,0,0]=4 550 B10R1.13 NC(=O)C1=CN=C(Cl)C=C1 C42457 [1,1,0,0,0,0|2,0,0]=4 551 B10R1.13 NC(=O)C1=NC=C(Br)C=C1 B26330 [1,1,0,0,0,0|2,0,0]=4 552 B10R1.13 NC(=O)C1=NC=C(Cl)C=C1 C42456 [1,1,0,0,0,0|2,0,0]=4 553 B10R1.13 NC(=O)C1=NC=C(F)C=C1 F42460 [1,1,0,0,0,0|2,0,0]=4 554 B10R1.13 NC(=O)C1=NC=C(N)C=C1 A43096 [1,1,0,0,0,0|2,0,0]=4 555 B10R1.13 NC(=S)C1=CC=C(Cl)C=C1 C64929 [1,1,0,0,0,0|1,1,0]=4 556 B10R1.13 NC(=S)C1=CC=C(O)C=C1 H39401 [1,1,0,0,0,0|0,1,0]=3 557 B10R1.13 NC1=CN=C(C(=O)O)C=C1 A1119 [1,1,0,0,0,0|2,0,0]=4 558 B10R1.13 NC1=NC=C(C(=O)O)C=C1 A4758 [1,1,0,0,0,0|2,0,0]=4 559 B10R1.13 O=C(Cl)C1=CN=C(Cl)C=C1 C42006 [1,1,0,0,0,0|2,0,0]=4 560 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 C67273 [1,1,0,0,0,0|1,0,0]=3 561 B10R1.13 O=C(O)C1=CC=C(I)C=C1 K39365 [1,1,0,0,0,0|1,0,0]=3 562 B10R1.13 O=C(O)C1=CC=C(S)C=C1 M69070 [1,1,0,0,0,0|0,1,0]=3 563 B10R1.13 O=C(O)C1=CN=C(Br)C=C1 B4499 [1,1,0,0,0,0|2,0,0]=4 564 B10R1.13 O=C(O)C1=CN=C(Cl)C=C1 C24114 [1,1,0,0,0,0|2,0,0]=4 565 B10R1.13 O=C(O)C1=CN=C(F)C=C1 F2849 [1,1,0,0,0,0|2,0,0]=4 566 B10R1.13 O=C(O)C1=CN=C(O)N=C1 H4911 [1,1,0,0,0,0|2,0,0]=4 567 B10R1.13 O=C(O)C1=NC=C(Br)C=C1 B4511 [1,1,0,0,0,0|2,0,0]=4 568 B10R1.13 O=C(O)C1=NC=C(F)C=C1 F13767 [1,1,0,0,0,0|2,0,0]=4 569 B10R1.13 O=C(O)C1=NC=C(I)C=C1 I38885 [1,1,0,0,0,0|2,0,0]=4 570 B10R1.13 O=C(O)C1=NC=C(O)C=C1 H8151 [1,1,0,0,0,0|1,0,0]=3 571 B10R1.13 O=C(O)C1=NC=C(O)N=C1 H12388 [1,1,0,0,0,0|2,0,0]=4 572 B10R1.13 O=C(O)C1=NN=C(O)C=C1 H0266 [1,1,0,0,0,0|2,0,0]=4 573 B10R1.13 O=C(O)C1=NN=C(O)C=C1 H41345 [1,1,0,0,0,0|2,0,0]=4 574 B10R1.13 O=C1C=CC(C(=O)O)=CN1 H12738 [1,1,0,0,0,0|1,0,1]=4 575 B10R1.13 O=C1C=CC(C(=O)O)=CO1 C7780 [1,1,0,0,0,0|1,0,1]=4 576 B10R1.13 O=[N+]([O-])C1=CC=C(F)C=C1 F68090 [1,1,0,0,0,0|2,0,0]=4 577 B10R1.13 O=[N+]([O-])C1=CN=C(O)C=C1 H68889 [1,1,0,0,0,0|2,0,0]=4 578 B10R1.13 O=[N+]([O-])C1=NC=C(O)C=C1 H40759 [1,1,0,0,0,0|2,0,0]=4 579 B10R1.13 O=[S@](O)C1=CC=C(Br)C=C1 B42696 [1,1,0,0,0,0|2,0,0]=4 580 B10R1.13 O=[S@]([O-])C1=CC=C(F)C=C1 S42324 [1,1,0,0,0,0|2,0,0]=4 581 B10R1.25 CC1=C(C#N)C=CC(O)=C1 H48449 [1,1,0,0,0,0|1,0,1]=4 582 B10R1.25 CC1=C(C=O)C=CC(Br)=C1 B48716 [1,1,0,0,0,0|1,0,0]=3 583 B10R1.25 CC1=C(C=O)C=CC(Cl)=C1 C23512 [1,1,0,0,0,0|1,0,0]=3 584 B10R1.25 CC1=C(C=O)C=CC(Cl)=N1 C45486 [1,1,0,0,0,0|2,0,0]=4 585 B10R1.25 CC1=C(C=O)C=CC(F)=C1 F48741 [1,1,0,0,0,0|1,0,0]=3 586 B10R1.25 CC1=C(C=O)C=CC(F)=N1 F45499 [1,1,0,0,0,0|2,0,0]=4 587 B10R1.25 CC1=C(C=O)C=CC(O)=C1 H49073 [1,1,0,0,0,0|0,0,0]=2 588 B10R1.25 CC1=CC(Br)=C(C#N)C=C1 B47945 [1,1,0,0,0,0|1,0,1]=4 589 B10R1.25 CC1=CC(Br)=C(C=O)C=C1 B48711 [1,1,0,0,0,0|0,0,0]=2 590 B10R1.25 CC1=CC(Br)=CN=C1C=O B61323 [1,1,0,0,0,0|2,0,0]=4 591 B10R1.25 CC1=CC(Br)=NC=C1C=O B45475 [1,1,0,0,0,0|2,0,0]=4 592 B10R1.25 CC1=CC(C)=C(C=O)C=C1 D49874 [1,1,0,0,0,0|0,0,0]=2 593 B10R1.25 CC1=CC(C)=C(C=O)C=N1 D49261 [1,1,0,0,0,0|1,0,0]=3 594 B10R1.25 CC1=CC(C)=C(CBr)C=C1 B49966 [1,1,0,0,0,0|1,0,1]=4 595 B10R1.25 CC1=CC(C)=C(CO)C=C1 D50273 [1,1,0,0,0,0|0,0,2]=4 596 B10R1.25 CC1=CC(C)=C(NN)C=C1 D49534 [1,1,0,0,0,0|2,0,0]=4 597 B10R1.25 CC1=CC(Cl)=C(C#N)C=C1 C47960 [1,1,0,0,0,0|1,0,1]=4 598 B10R1.25 CC1=CC(Cl)=C(C=O)C=C1 C48726 [1,1,0,0,0,0|0,0,0]=2 599 B10R1.25 CC1=CC(Cl)=C(CN)C=C1 C46753 [1,1,0,0,0,0|1,0,1]=4 600 B10R1.25 CC1=CC(Cl)=NC=C1C=O C45487 [1,1,0,0,0,0|2,0,0]=4 601 B10R1.25 CC1=CC(F)=C(C#N)C=C1 F47972 [1,1,0,0,0,0|1,0,1]=4 602 B10R1.25 CC1=CC(F)=C(C=O)C=C1 F48737 [1,1,0,0,0,0|0,0,0]=2 603 B10R1.25 CC1=CC(N)=C(C#N)C=C1 A48781 [1,1,0,0,0,0|1,0,1]=4 604 B10R1.25 CC1=CC(N)=C(CO)C=C1 A46913 [1,1,0,0,0,0|0,0,2]=4 605 B10R1.25 CC1=CC(O)=C(C#N)C=C1 H48444 [1,1,0,0,0,0|1,0,1]=4 606 B10R1.25 CC1=CC(O)=C(C=O)C=C1 H38560 [1,1,0,0,0,0|0,0,0]=2 607 B10R1.25 CC1=CC=C(C=O)C(Cl)=N1 C45484 [1,1,0,0,0,0|1,0,0]=3 608 B10R1.25 CCC1=C(Cl)C=C(N)C=C1 C46746 [1,1,0,0,0,0|2,0,0]=4 609 B10R1.25 CCC1=C(F)C=C(O)C=C1 E65621 [1,1,0,0,0,0|1,0,1]=4 610 B10R1.25 CCC1=C(N)C=C(Br)C=C1 B46721 [1,1,0,0,0,0|2,0,0]=4 611 B10R1.25 CCC1=C(N)C=C(Cl)C=C1 C46745 [1,1,0,0,0,0|2,0,0]=4 612 B10R1.25 CNC1=C(Br)C=C(C)C=C1 B46730 [1,1,0,0,0,0|1,0,1]=4 613 B10R1.25 CNC1=C(N)C=C(Br)C=C1 B46287 [1,1,0,0,0,0|2,0,0]=4 614 B10R1.25 CNC1=C(N)C=C(Cl)C=C1 C46303 [1,1,0,0,0,0|2,0,0]=4 615 B10R1.25 COC1=C(Br)C=C(Br)C=N1 D42633 [1,1,0,0,0,0|2,0,0]=4 616 B10R1.25 COC1=C(Br)C=C(C)C=N1 B46168 [1,1,0,0,0,0|1,0,1]=4 617 B10R1.25 COC1=C(Br)C=C(Cl)C=C1 B39392 [1,1,0,0,0,0|1,0,0]=3 618 B10R1.25 COC1=C(Br)C=C(Cl)C=N1 B16110 [1,1,0,0,0,0|2,0,0]=4 619 B10R1.25 COC1=C(Br)C=C(Cl)N=C1 B42645 [1,1,0,0,0,0|2,0,0]=4 620 B10R1.25 COC1=C(Br)C=C(F)C=C1 B39393 [1,1,0,0,0,0|1,0,0]=3 621 B10R1.25 COC1=C(Br)C=C(F)C=N1 B42652 [1,1,0,0,0,0|2,0,0]=4 622 B10R1.25 COC1=C(Br)C=C(F)N=C1 B37314 [1,1,0,0,0,0|2,0,0]=4 623 B10R1.25 COC1=C(Br)C=C(I)C=C1 B45584 [1,1,0,0,0,0|1,0,0]=3 624 B10R1.25 COC1=C(Br)C=C(N)C=C1 B46154 [1,1,0,0,0,0|1,0,0]=3 625 B10R1.25 COC1=C(Br)C=C(N)C=N1 B43055 [1,1,0,0,0,0|2,0,0]=4 626 B10R1.25 COC1=C(Br)C=C(O)C=C1 B45899 [1,1,0,0,0,0|0,0,1]=3 627 B10R1.25 COC1=C(Br)C=C(O)C=N1 B42852 [1,1,0,0,0,0|1,0,1]=4 628 B10R1.25 COC1=C(Br)N=C(I)C=C1 B36842 [1,1,0,0,0,0|2,0,0]=4 629 B10R1.25 COC1=C(C)C=C(Br)C=C1 B49440 [1,1,0,0,0,0|1,0,0]=3 630 B10R1.25 COC1=C(C)C=C(C)C=C1 D50266 [1,1,0,0,0,0|0,0,1]=3 631 B10R1.25 COC1=C(C)C=C(F)C=C1 F49467 [1,1,0,0,0,0|1,0,0]=3 632 B10R1.25 COC1=C(C)C=C(I)C=C1 K49474 [1,1,0,0,0,0|1,0,0]=3 633 B10R1.25 COC1=C(C)C=C(N)C=C1 M46909 [1,1,0,0,0,0|1,0,0]=3 634 B10R1.25 COC1=C(C)C=C(O)C=C1 M38275 [1,1,0,0,0,0|0,0,1]=3 635 B10R1.25 COC1=C(C)C=C([Mg+])C=C1 M31769 [1,1,0,0,0,0|1,0,0]=3 636 B10R1.25 COC1=C(C)N=C(Br)C=C1 B46175 [1,1,0,0,0,0|2,0,0]=4 637 B10R1.25 COC1=C(Cl)C=C(Br)C=C1 B45564 [1,1,0,0,0,0|1,0,0]=3 638 B10R1.25 COC1=C(Cl)C=C(C)C=N1 C46202 [1,1,0,0,0,0|1,0,1]=4 639 B10R1.25 COC1=C(Cl)C=C(N)C=N1 C43070 [1,1,0,0,0,0|2,0,0]=4 640 B10R1.25 COC1=C(Cl)C=C(N)N=C1 C10605 [1,1,0,0,0,0|2,0,0]=4 641 B10R1.25 COC1=C(F)C=C(Br)C=C1 B13752 [1,1,0,0,0,0|1,0,0]=3 642 B10R1.25 COC1=C(F)C=C(I)C=C1 F45610 [1,1,0,0,0,0|1,0,0]=3 643 B10R1.25 COC1=C(F)C=C(N)C=C1 F38501 [1,1,0,0,0,0|1,0,0]=3 644 B10R1.25 COC1=C(F)C=C(N)C=N1 A43085 [1,1,0,0,0,0|2,0,0]=4 645 B10R1.25 COC1=C(F)C=C(O)C=C1 F23734 [1,1,0,0,0,0|0,0,1]=3 646 B10R1.25 COC1=C(F)C=C([Mg+])C=C1 F31773 [1,1,0,0,0,0|1,0,0]=3 647 B10R1.25 COC1=C(I)C=C(Br)C=C1 B38589 [1,1,0,0,0,0|1,0,0]=3 648 B10R1.25 COC1=C(I)C=C(Br)C=N1 B42657 [1,1,0,0,0,0|2,0,0]=4 649 B10R1.25 COC1=C(I)C=C(C)C=C1 K62337 [1,1,0,0,0,0|0,0,1]=3 650 B10R1.25 COC1=C(I)C=C(Cl)C=C1 C45602 [1,1,0,0,0,0|1,0,0]=3 651 B10R1.25 COC1=C(I)C=C(N)C=C1 K46229 [1,1,0,0,0,0|1,0,0]=3 652 B10R1.25 COC1=C(I)C=C(N)C=C1 K46231 [1,1,0,0,0,0|1,0,0]=3 653 B10R1.25 COC1=C(N)C=C(Br)C=C1 B46157 [1,1,0,0,0,0|1,0,0]=3 654 B10R1.25 COC1=C(N)C=C(F)C=C1 F46211 [1,1,0,0,0,0|1,0,0]=3 655 B10R1.25 COC1=C(N)C=C(I)C=C1 A46224 [1,1,0,0,0,0|1,0,0]=3 656 B10R1.25 COC1=C(N)N=C(Br)C=C1 B36893 [1,1,0,0,0,0|2,0,0]=4 657 B10R1.25 COC1=C(N)N=C(F)C=C1 F43084 [1,1,0,0,0,0|2,0,0]=4 658 B10R1.25 COC1=C(O)C=C(Br)C=C1 B37821 [1,1,0,0,0,0|1,0,0]=3 659 B10R1.25 COC1=C(O)C=C(F)C=C1 F45919 [1,1,0,0,0,0|1,0,0]=3 660 B10R1.25 COC1=C(O)C=C(N)C=C1 A46397 [1,1,0,0,0,0|1,0,0]=3 661 B10R1.25 COC1=C(O)C=C(O)C=C1 M61053 [1,1,0,0,0,0|0,0,1]=3 662 B10R1.25 COC1=C([Mg+])C=C(C)C=C1 M31765 [1,1,0,0,0,0|0,0,1]=3 663 B10R1.25 COC1=C([Mg+])C=C(Cl)C=C1 C31793 [1,1,0,0,0,0|1,0,0]=3 664 B10R1.25 COC1=C([Mg+])C=C(F)C=C1 F31774 [1,1,0,0,0,0|1,0,0]=3 665 B10R1.25 COC1=CC=C(Br)N=C1Br D42631 [1,1,0,0,0,0|2,0,0]=4 666 B10R1.25 COC1=CC=C(C)N=C1Br B3731 [1,1,0,0,0,0|1,0,1]=4 667 B10R1.25 COC1=CC=C(C)N=C1Cl C46200 [1,1,0,0,0,0|1,0,1]=4 668 B10R1.25 COC1=CC=C(Cl)N=C1Br B42641 [1,1,0,0,0,0|2,0,0]=4 669 B10R1.25 COC1=CC=C(N)N=C1Cl C10744 [1,1,0,0,0,0|2,0,0]=4 670 B10R1.25 COC1=CN=C(Br)C=C1N B62821 [1,1,0,0,0,0|2,0,0]=4 671 B10R1.25 COC1=CN=C(Cl)C=C1N C43069 [1,1,0,0,0,0|2,0,0]=4 672 B10R1.25 COC1=NC=C(Br)C=C1C B46172 [1,1,0,0,0,0|2,0,0]=4 673 B10R1.25 COC1=NC=C(Br)C=C1Cl B42648 [1,1,0,0,0,0|2,0,0]=4 674 B10R1.25 COC1=NC=C(Br)C=C1F B42654 [1,1,0,0,0,0|2,0,0]=4 675 B10R1.25 COC1=NC=C(Br)C=C1N B7645 [1,1,0,0,0,0|2,0,0]=4 676 B10R1.25 COC1=NC=C(Br)C=C1O B10651 [1,1,0,0,0,0|2,0,0]=4 677 B10R1.25 COC1=NC=C(Cl)C=C1F C69055 [1,1,0,0,0,0|2,0,0]=4 678 B10R1.25 COC1=NC=C(F)C=C1C F46221 [1,1,0,0,0,0|2,0,0]=4 679 B10R1.25 COC1=NC=C(F)C=C1N F37439 [1,1,0,0,0,0|2,0,0]=4 680 B10R1.25 COC1=NC=C(N)C=C1C M43642 [1,1,0,0,0,0|2,0,0]=4 681 B10R1.25 N#CC1=C(Cl)C=C(O)C=C1 C38503 [1,1,0,0,0,0|1,0,1]=4 682 B10R1.25 N#CC1=C(F)C=C(O)C=C1 F39332 [1,1,0,0,0,0|1,0,1]=4 683 B10R1.25 N#CC1=C(O)C=C(O)C=C1 D24706 [1,1,0,0,0,0|1,0,1]=4 684 B10R1.25 NC1=C(C=O)C=CC(Br)=C1 A45469 [1,1,0,0,0,0|1,0,0]=3 685 B10R1.25 NC1=C(C=O)C=CC(Cl)=C1 A45480 [1,1,0,0,0,0|1,0,0]=3 686 B10R1.25 NC1=C(C=O)C=CC(F)=C1 A61199 [1,1,0,0,0,0|1,0,0]=3 687 B10R1.25 NC1=CC(Br)=CN=C1C=O A12076 [1,1,0,0,0,0|2,0,0]=4 688 B10R1.25 NC1=CC(Cl)=NC=C1C=O A15911 [1,1,0,0,0,0|2,0,0]=4 689 B10R1.25 NC1=CC(N)=C(C=O)C=C1 D45975 [1,1,0,0,0,0|1,0,0]=3 690 B10R1.25 O=CC1=C(Br)C=C(Br)C=C1 D44632 [1,1,0,0,0,0|1,0,0]=3 691 B10R1.25 O=CC1=C(Br)C=C(Cl)C=C1 B7860 [1,1,0,0,0,0|1,0,0]=3 692 B10R1.25 O=CC1=C(Br)C=C(Cl)N=C1 B41994 [1,1,0,0,0,0|2,0,0]=4 693 B10R1.25 O=CC1=C(Br)C=C(F)C=C1 B39342 [1,1,0,0,0,0|1,0,0]=3 694 B10R1.25 O=CC1=C(Br)C=C(I)C=C1 B67802 [1,1,0,0,0,0|1,0,0]=3 695 B10R1.25 O=CC1=C(Br)C=C(O)C=C1 B37795 [1,1,0,0,0,0|0,0,0]=2 696 B10R1.25 O=CC1=C(Cl)C=C(Br)C=C1 C44637 [1,1,0,0,0,0|1,0,0]=3 697 B10R1.25 O=CC1=C(Cl)C=C(Cl)C=C1 D69004 [1,1,0,0,0,0|1,0,0]=3 698 B10R1.25 O=CC1=C(Cl)C=C(F)C=C1 C39345 [1,1,0,0,0,0|1,0,0]=3 699 B10R1.25 O=CC1=C(Cl)C=C(F)N=C1 C42014 [1,1,0,0,0,0|2,0,0]=4 700 B10R1.25 O=CC1=C(Cl)C=C(O)C=C1 C45089 [1,1,0,0,0,0|0,0,0]=2 701 B10R1.25 O=CC1=C(F)C=C(Br)C=C1 B24366 [1,1,0,0,0,0|1,0,0]=3 702 B10R1.25 O=CC1=C(F)C=C(Cl)C=C1 C38438 [1,1,0,0,0,0|1,0,0]=3 703 B10R1.25 O=CC1=C(F)C=C(F)C=C1 D44675 [1,1,0,0,0,0|1,0,0]=3 704 B10R1.25 O=CC1=C(F)C=C(I)C=C1 F44686 [1,1,0,0,0,0|1,0,0]=3 705 B10R1.25 O=CC1=C(F)C=C(O)C=C1 F45098 [1,1,0,0,0,0|0,0,0]=2 706 B10R1.25 O=CC1=C(I)C=C(Br)C=C1 B44660 [1,1,0,0,0,0|1,0,0]=3 707 B10R1.25 O=CC1=C(I)C=C(O)C=C1 H69541 [1,1,0,0,0,0|0,0,0]=2 708 B10R1.25 O=CC1=C(O)C=C(Cl)C=C1 C45094 [1,1,0,0,0,0|1,0,0]=3 709 B10R1.25 O=CC1=C(O)C=C(F)C=C1 F23204 [1,1,0,0,0,0|1,0,0]=3 710 B10R1.25 O=CC1=C(O)C=C(O)C=C1 D67877 [1,1,0,0,0,0|0,0,0]=2 711 B10R1.25 O=CC1=CC=C(Br)N=C1Br D7611 [1,1,0,0,0,0|2,0,0]=4 712 B10R1.25 O=CC1=CC=C(Cl)N=C1Br B36994 [1,1,0,0,0,0|2,0,0]=4 713 B10R1.25 O=CC1=CC=C(Cl)N=C1Cl D4988 [1,1,0,0,0,0|2,0,0]=4 714 B10R1.25 O=CC1=CN=C(Br)C=C1Br D37426 [1,1,0,0,0,0|2,0,0]=4 715 B10R1.25 O=CC1=CN=C(Br)C=C1Cl B41995 [1,1,0,0,0,0|2,0,0]=4 716 B10R1.25 O=CC1=CN=C(Cl)C=C1Cl D12930 [1,1,0,0,0,0|2,0,0]=4 717 B10R1.25 O=CC1=NC=C(Br)C=C1Cl B38850 [1,1,0,0,0,0|2,0,0]=4 718 B10R1.25 O=CC1=NC=C(Br)C=C1F B12621 [1,1,0,0,0,0|2,0,0]=4 719 B10R1.25 OCC1=C(Br)C=C(O)C=C1 B45904 [1,1,0,0,0,0|0,0,2]=4 720 B10R1.25 OCC1=C(F)C=C(O)C=C1 F38990 [1,1,0,0,0,0|0,0,2]=4 721 B10R1.176 C=CC1=CC(F)=C(Cl)C=C1 C60746 [1,1,0,0,0,0|2,0,0]=4 722 B10R1.176 CC1=C(Br)C=C(C#N)C=C1 B39465 [1,1,0,0,0,0|1,0,1]=4 723 B10R1.176 CC1=C(Br)C=C(C=O)C=C1 B48714 [1,1,0,0,0,0|0,0,0]=2 724 B10R1.176 CC1=C(Br)C=C(C=O)N=C1 B45472 [1,1,0,0,0,0|1,0,0]=3 725 B10R1.176 CC1=C(Br)C=C(CBr)C=C1 B38347 [1,1,0,0,0,0|1,0,1]=4 726 B10R1.176 CC1=C(Br)C=C(CO)C=C1 B49432 [1,1,0,0,0,0|0,0,2]=4 727 B10R1.176 CC1=C(Br)C=CC(C=O)=C1 B48717 [1,1,0,0,0,0|1,0,0]=3 728 B10R1.176 CC1=C(Br)C=CC(C=O)=N1 B19216 [1,1,0,0,0,0|2,0,0]=4 729 B10R1.176 CC1=C(Br)C=NC(C=O)=C1 B45474 [1,1,0,0,0,0|2,0,0]=4 730 B10R1.176 CC1=C(C)C=C(C#N)C=C1 D51674 [1,1,0,0,0,0|1,0,1]=4 731 B10R1.176 CC1=C(C)C=C(CCl)C=C1 C49971 [1,1,0,0,0,0|1,0,1]=4 732 B10R1.176 CC1=C(C)C=C(CO)C=C1 D50275 [1,1,0,0,0,0|0,0,2]=4 733 B10R1.176 CC1=C(C)C=C(NN)C=C1 D39524 [1,1,0,0,0,0|2,0,0]=4 734 B10R1.176 CC1=C(Cl)C=C(C#N)C=C1 C47963 [1,1,0,0,0,0|1,0,1]=4 735 B10R1.176 CC1=C(Cl)C=C(C=O)C=C1 C48728 [1,1,0,0,0,0|0,0,0]=2 736 B10R1.176 CC1=C(Cl)C=C(CN)C=C1 C46749 [1,1,0,0,0,0|1,0,1]=4 737 B10R1.176 CC1=C(Cl)C=CC(C=O)=C1 C48730 [1,1,0,0,0,0|1,0,0]=3 738 B10R1.176 CC1=C(F)C=C(C#N)C=C1 F47976 [1,1,0,0,0,0|1,0,1]=4 739 B10R1.176 CC1=C(F)C=C(NN)C=C1 F46563 [1,1,0,0,0,0|2,0,0]=4 740 B10R1.176 CC1=C(F)C=CC(C=O)=C1 F48742 [1,1,0,0,0,0|1,0,0]=3 741 B10R1.176 CC1=C(F)C=CC(C=O)=N1 F26082 [1,1,0,0,0,0|2,0,0]=4 742 B10R1.176 CC1=C(I)C=C(CO)C=C1 K63324 [1,1,0,0,0,0|0,0,2]=4 743 B10R1.176 CC1=C(N)C=C(C#N)C=C1 A38450 [1,1,0,0,0,0|1,0,1]=4 744 B10R1.176 CC1=C(O)C=C(C#N)C=C1 H48447 [1,1,0,0,0,0|1,0,1]=4 745 B10R1.176 CC1=C(O)C=C(C=O)C=C1 H67820 [1,1,0,0,0,0|0,0,0]=2 746 B10R1.176 CC1=C(O)C=CC(C#N)=C1 H48450 [1,1,0,0,0,0|1,0,1]=4 747 B10R1.176 CC1=C(O)C=CC(C=O)=C1 H49074 [1,1,0,0,0,0|0,0,0]=2 748 B10R1.176 CC1=C(O)C=CC(CO)=C1 H46832 [1,1,0,0,0,0|0,0,2]=4 749 B10R1.176 CC1=CC(C=O)=CN=C1Br B45476 [1,1,0,0,0,0|2,0,0]=4 750 B10R1.176 CCC1=CC(Br)=C(O)C=C1 B49424 [1,1,0,0,0,0|1,0,1]=4 751 B10R1.176 CCC1=CC(C)=C(C)C=C1 E53022 [1,1,0,0,0,0|1,0,1]=4 752 B10R1.176 CCC1=CC(C)=C(I)C=C1 E49973 [1,1,0,0,0,0|2,0,0]=4 753 B10R1.176 CCC1=CC(F)=C(N)C=C1 E46758 [1,1,0,0,0,0|2,0,0]=4 754 B10R1.176 CCC1=CC(N)=C(N)C=C1 E49664 [1,1,0,0,0,0|2,0,0]=4 755 B10R1.176 CCC1=CC(O)=C(N)C=C1 A49521 [1,1,0,0,0,0|2,0,0]=4 756 B10R1.176 CN1C=CC(C=O)=CC1=O M10303 [1,1,0,0,0,0|1,0,0]=3 757 B10R1.176 CNC1=CC(Cl)=C(Cl)C=C1 D45789 [1,1,0,0,0,0|2,0,0]=4 758 B10R1.176 COC1=CC(Br)=C(Br)C=C1 D45549 [1,1,0,0,0,0|1,0,0]=3 759 B10R1.176 COC1=CC(Br)=C(C)C=C1 B49439 [1,1,0,0,0,0|0,0,1]=3 760 B10R1.176 COC1=CC(Br)=C(C)C=N1 B37321 [1,1,0,0,0,0|1,0,1]=4 761 B10R1.176 COC1=CC(Br)=C(C)N=C1 B13456 [1,1,0,0,0,0|1,0,1]=4 762 B10R1.176 COC1=CC(Br)=C(Cl)C=C1 B45563 [1,1,0,0,0,0|1,0,0]=3 763 B10R1.176 COC1=CC(Br)=C(Cl)C=N1 B42646 [1,1,0,0,0,0|2,0,0]=4 764 B10R1.176 COC1=CC(Br)=C(F)C=C1 B45565 [1,1,0,0,0,0|1,0,0]=3 765 B10R1.176 COC1=CC(Br)=C(F)C=N1 B42653 [1,1,0,0,0,0|2,0,0]=4 766 B10R1.176 COC1=CC(Br)=C(I)C=C1 B45583 [1,1,0,0,0,0|1,0,0]=3 767 B10R1.176 COC1=CC(Br)=C(N)C=C1 B38510 [1,1,0,0,0,0|1,0,0]=3 768 B10R1.176 COC1=CC(Br)=C(O)C=C1 B38008 [1,1,0,0,0,0|0,0,1]=3 769 B10R1.176 COC1=CC(C)=C(Br)C=C1 B49437 [1,1,0,0,0,0|1,0,0]=3 770 B10R1.176 COC1=CC(C)=C(Br)C=N1 B46173 [1,1,0,0,0,0|2,0,0]=4 771 B10R1.176 COC1=CC(C)=C(F)C=C1 F49456 [1,1,0,0,0,0|1,0,0]=3 772 B10R1.176 COC1=CC(C)=C(O)C=C1 H38045 [1,1,0,0,0,0|0,0,1]=3 773 B10R1.176 COC1=CC(C)=C([Mg+])C=C1 M31768 [1,1,0,0,0,0|1,0,0]=3 774 B10R1.176 COC1=CC(Cl)=C(Br)C=C1 B45553 [1,1,0,0,0,0|1,0,0]=3 775 B10R1.176 COC1=CC(Cl)=C(Br)C=N1 B38791 [1,1,0,0,0,0|2,0,0]=4 776 B10R1.176 COC1=CC(Cl)=C(C)C=C1 C49453 [1,1,0,0,0,0|0,0,1]=3 777 B10R1.176 COC1=CC(Cl)=C(Cl)C=C1 D45585 [1,1,0,0,0,0|1,0,0]=3 778 B10R1.176 COC1=CC(Cl)=C(F)C=C1 C45600 [1,1,0,0,0,0|1,0,0]=3 779 B10R1.176 COC1=CC(Cl)=C(I)C=C1 C63668 [1,1,0,0,0,0|1,0,0]=3 780 B10R1.176 COC1=CC(Cl)=C(N)C=C1 C37946 [1,1,0,0,0,0|1,0,0]=3 781 B10R1.176 COC1=CC(Cl)=C(O)C=C1 C45910 [1,1,0,0,0,0|0,0,1]=3 782 B10R1.176 COC1=CC(F)=C(Br)C=C1 B45566 [1,1,0,0,0,0|1,0,0]=3 783 B10R1.176 COC1=CC(F)=C(Br)C=N1 B60043 [1,1,0,0,0,0|2,0,0]=4 784 B10R1.176 COC1=CC(F)=C(C)C=C1 F49466 [1,1,0,0,0,0|0,0,1]=3 785 B10R1.176 COC1=CC(F)=C(Cl)C=C1 C45599 [1,1,0,0,0,0|1,0,0]=3 786 B10R1.176 COC1=CC(F)=C(F)C=C1 D65181 [1,1,0,0,0,0|1,0,0]=3 787 B10R1.176 COC1=CC(F)=C(N)C=C1 F38553 [1,1,0,0,0,0|1,0,0]=3 788 B10R1.176 COC1=CC(F)=C(N)N=C1 F43081 [1,1,0,0,0,0|2,0,0]=4 789 B10R1.176 COC1=CC(I)=C(Br)C=C1 B38541 [1,1,0,0,0,0|1,0,0]=3 790 B10R1.176 COC1=CC(I)=C(Cl)C=C1 C63030 [1,1,0,0,0,0|1,0,0]=3 791 B10R1.176 COC1=CC(I)=C(Cl)C=N1 C61104 [1,1,0,0,0,0|2,0,0]=4 792 B10R1.176 COC1=CC(I)=C(F)C=N1 F62243 [1,1,0,0,0,0|2,0,0]=4 793 B10R1.176 COC1=CC(I)=C(N)C=C1 K46228 [1,1,0,0,0,0|1,0,0]=3 794 B10R1.176 COC1=CC(N)=C(Br)C=C1 B46152 [1,1,0,0,0,0|1,0,0]=3 795 B10R1.176 COC1=CC(N)=C(Br)C=N1 A7726 [1,1,0,0,0,0|2,0,0]=4 796 B10R1.176 COC1=CC(N)=C(C)C=C1 M46901 [1,1,0,0,0,0|0,0,1]=3 797 B10R1.176 COC1=CC(N)=C(Cl)C=C1 C46185 [1,1,0,0,0,0|1,0,0]=3 798 B10R1.176 COC1=CC(N)=C(F)C=C1 F36653 [1,1,0,0,0,0|1,0,0]=3 799 B10R1.176 COC1=CC(N)=C(F)C=N1 F24390 [1,1,0,0,0,0|2,0,0]=4 800 B10R1.176 COC1=CC(N)=C(I)C=C1 I5695 [1,1,0,0,0,0|1,0,0]=3 801 B10R1.176 COC1=CC(N)=C(N)C=C1 M43632 [1,1,0,0,0,0|1,0,0]=3 802 B10R1.176 COC1=CC(N)=C(N)C=C1 M46463 [1,1,0,0,0,0|1,0,0]=3 803 B10R1.176 COC1=CC(N)=C(O)C=C1 A46393 [1,1,0,0,0,0|0,0,1]=3 804 B10R1.176 COC1=CC(O)=C(Br)C=C1 B45898 [1,1,0,0,0,0|1,0,0]=3 805 B10R1.176 COC1=CC(O)=C(C)C=C1 M46827 [1,1,0,0,0,0|0,0,1]=3 806 B10R1.176 COC1=CC(O)=C(I)C=C1 K45922 [1,1,0,0,0,0|1,0,0]=3 807 B10R1.176 COC1=CC(O)=C(N)C=C1 A46394 [1,1,0,0,0,0|1,0,0]=3 808 B10R1.176 COC1=CC(O)=C(N)C=C1 A46576 [1,1,0,0,0,0|1,0,0]=3 809 B10R1.176 COC1=CC=C(Br)C(Br)=N1 D42629 [1,1,0,0,0,0|2,0,0]=4 810 B10R1.176 COC1=CC=C(Cl)C(Cl)=N1 D42661 [1,1,0,0,0,0|2,0,0]=4 811 B10R1.176 COC1=CC=C(N)C(Br)=N1 A43056 [1,1,0,0,0,0|2,0,0]=4 812 B10R1.176 COC1=CC=C(N)C(Cl)=N1 A3832 [1,1,0,0,0,0|2,0,0]=4 813 B10R1.176 COC1=CN=C(Br)C(N)=C1 B43053 [1,1,0,0,0,0|2,0,0]=4 814 B10R1.176 COC1=CN=C(Cl)C(C)=C1 C46201 [1,1,0,0,0,0|2,0,0]=4 815 B10R1.176 COC1=CN=C(Cl)C(N)=C1 C25045 [1,1,0,0,0,0|2,0,0]=4 816 B10R1.176 COC1=NC(C)=C(Br)C=C1 B46158 [1,1,0,0,0,0|2,0,0]=4 817 B10R1.176 COC1=NC(C)=C(F)C=C1 F46212 [1,1,0,0,0,0|2,0,0]=4 818 B10R1.176 COC1=NC(C)=C(N)C=C1 M46590 [1,1,0,0,0,0|2,0,0]=4 819 B10R1.176 COC1=NC(C)=C(N)C=C1 M69566 [1,1,0,0,0,0|2,0,0]=4 820 B10R1.176 COC1=NC(Cl)=C(Br)C=C1 B42643 [1,1,0,0,0,0|2,0,0]=4 821 B10R1.176 COC1=NC(N)=C(Br)C=C1 B38888 [1,1,0,0,0,0|2,0,0]=4 822 B10R1.176 COC1=NC=C(C)C(N)=C1 M43637 [1,1,0,0,0,0|1,0,1]=4 823 B10R1.176 COC1=NC=C(N)C(C)=C1 M43641 [1,1,0,0,0,0|2,0,0]=4 824 B10R1.176 COC1=NC=C(N)C(N)=C1 M43351 [1,1,0,0,0,0|2,0,0]=4 825 B10R1.176 N#CC1=CC(Br)=C(O)C=C1 B44522 [1,1,0,0,0,0|1,0,1]=4 826 B10R1.176 N#CC1=CC(Cl)=C(O)C=C1 C22522 [1,1,0,0,0,0|1,0,1]=4 827 B10R1.176 N#CC1=CC(F)=C(O)C=C1 F44546 [1,1,0,0,0,0|1,0,1]=4 828 B10R1.176 N#CC1=CC(I)=C(O)C=C1 H44558 [1,1,0,0,0,0|1,0,1]=4 829 B10R1.176 N#CC1=CC(N)=C(O)C=C1 A69485 [1,1,0,0,0,0|1,0,1]=4 830 B10R1.176 N#CC1=CC(O)=C(O)C=C1 P68087 [1,1,0,0,0,0|1,0,1]=4 831 B10R1.176 NC1=C(O)C=CC(CO)=C1 A46403 [1,1,0,0,0,0|0,0,2]=4 832 B10R1.176 O=CC1=CC(Br)=C(Br)C=C1 D44634 [1,1,0,0,0,0|1,0,0]=3 833 B10R1.176 O=CC1=CC(Br)=C(Cl)C=C1 B44639 [1,1,0,0,0,0|1,0,0]=3 834 B10R1.176 O=CC1=CC(Br)=C(F)C=C1 B64545 [1,1,0,0,0,0|1,0,0]=3 835 B10R1.176 O=CC1=CC(Br)=C(O)C=C1 B45084 [1,1,0,0,0,0|0,0,0]=2 836 B10R1.176 O=CC1=CC(Cl)=C(Br)C=C1 B44641 [1,1,0,0,0,0|1,0,0]=3 837 B10R1.176 O=CC1=CC(Cl)=C(F)C=C1 C69059 [1,1,0,0,0,0|1,0,0]=3 838 B10R1.176 O=CC1=CC(Cl)=C(O)C=C1 C45092 [1,1,0,0,0,0|0,0,0]=2 839 B10R1.176 O=CC1=CC(Cl)=C(O)N=C1 C42251 [1,1,0,0,0,0|1,0,0]=3 840 B10R1.176 O=CC1=CC(F)=C(Br)C=C1 B18680 [1,1,0,0,0,0|1,0,0]=3 841 B10R1.176 O=CC1=CC(F)=C(Cl)C=C1 C44666 [1,1,0,0,0,0|1,0,0]=3 842 B10R1.176 O=CC1=CC(F)=C(F)C=C1 D39346 [1,1,0,0,0,0|1,0,0]=3 843 B10R1.176 O=CC1=CC(F)=C(I)C=C1 F44687 [1,1,0,0,0,0|1,0,0]=3 844 B10R1.176 O=CC1=CC(F)=C(O)C=C1 F45101 [1,1,0,0,0,0|0,0,0]=2 845 B10R1.176 O=CC1=CC(I)=C(Cl)C=C1 C44674 [1,1,0,0,0,0|1,0,0]=3 846 B10R1.176 O=CC1=CC(I)=C(O)C=C1 H69424 [1,1,0,0,0,0|0,0,0]=2 847 B10R1.176 O=CC1=CC(O)=C(Br)C=C1 B36771 [1,1,0,0,0,0|1,0,0]=3 848 B10R1.176 O=CC1=CC(O)=C(Cl)C=C1 C36636 [1,1,0,0,0,0|1,0,0]=3 849 B10R1.176 O=CC1=CC(O)=C(I)C=C1 H61294 [1,1,0,0,0,0|1,0,0]=3 850 B10R1.176 O=CC1=CC=C(Cl)C(Br)=N1 B41996 [1,1,0,0,0,0|2,0,0]=4 851 B10R1.176 O=CC1=CC=C(F)C(Br)=N1 B37298 [1,1,0,0,0,0|2,0,0]=4 852 B10R1.176 O=CC1=CN=C(Br)C(F)=C1 B41998 [1,1,0,0,0,0|2,0,0]=4 853 B10R1.176 O=CC1=CN=C(Cl)C(Cl)=C1 D42008 [1,1,0,0,0,0|2,0,0]=4 854 B10R1.176 OCC1=CC(Br)=C(O)C=C1 B45902 [1,1,0,0,0,0|0,0,2]=4 855 B10R1.31 CC(=O)C1=CC=C(C=O)S1 A45521 [0,1,0,0,1,0|2,0,0]=4 856 B10R1.31 CC(=O)C1=CNC(C=O)=C1 A63189 [0,1,0,0,1,0|2,0,0]=4 857 B10R1.31 CC(C)C1=COC(C=O)=C1 P65538 [0,1,0,0,1,0|2,0,0]=4 858 B10R1.31 CN(C)C1=CC=C(C=O)S1 D46441 [0,1,0,0,1,0|2,0,0]=4 859 B10R1.31 COC1=CN=C(C(=O)O)O1 M41003 [0,1,0,0,1,0|2,0,0]=4 860 B12R1.5 C#CC1=CC=C(C(=O)OC)C=C1 M38528 [0,2,0,0,0,0|1,0,1]=4 861 B12R1.5 C=CC1=CC=C(C(=O)OC)C=C1 M52426 [0,2,0,0,0,0|1,0,0]=3 862 B12R1.5 CCC(=O)C1=CC=C(CC)C=C1 E22775 [0,2,0,0,0,0|1,0,0]=3 863 B12R1.5 CNC(=O)C1=CC=C(OC)C=C1 M50044 [0,2,0,0,0,0|0,0,0]=2 864 B12R1.5 COC(=O)C1=CC=C(C#N)C=C1 M51166 [0,2,0,0,0,0|1,0,1]=4 865 B12R1.5 COC(=O)C1=CC=C(C=O)C=C1 M37811 [0,2,0,0,0,0|0,0,0]=2 866 B12R1.5 COC(=O)C1=CC=C(CBr)C=C1 M51885 [0,2,0,0,0,0|1,0,1]=4 867 B12R1.5 COC(=O)C1=CC=C(CCl)C=C1 M39578 [0,2,0,0,0,0|1,0,1]=4 868 B12R1.5 COC(=O)C1=CC=C(CN)C=C1 M52110 [0,2,0,0,0,0|1,0,1]=4 869 B12R1.5 COC(=O)C1=CC=C(CN)C=C1 M64553 [0,2,0,0,0,0|1,0,1]=4 870 B12R1.5 COC(=O)C1=CC=C(OC)C=C1 M68842 [0,2,0,0,0,0|0,0,0]=2 871 B12R1.5 COC(=O)C1=CN=C(C=O)C=C1 M16020 [0,2,0,0,0,0|1,0,0]=3 872 B12R1.5 COC(=O)C1=CN=C(OC)C=C1 M6283 [0,2,0,0,0,0|1,0,0]=3 873 B12R1.5 COC(=O)C1=NC=C(C=O)N=C1 M25010 [0,2,0,0,0,0|2,0,0]=4 874 B12R1.5 COC(=O)C1=NC=C(OC)C=C1 M14343 [0,2,0,0,0,0|1,0,0]=3 875 B12R1.5 COC(=O)C1=NC=C(OC)N=C1 M67025 [0,2,0,0,0,0|2,0,0]=4 876 B12R1.5 COC1=CC=C(C(=O)CBr)C=C1 B68678 [0,2,0,0,0,0|0,0,0]=2 877 B12R1.5 COC1=CC=C(C(=O)CCl)C=C1 C68948 [0,2,0,0,0,0|0,0,0]=2 878 B12R1.5 COC1=CC=C([C@@H](N)CO)C=C1 A50364 [0,2,0,0,0,0|0,0,2]=4 879 B12R1.5 COC1=CC=C([C@@H](N)CO)C=C1 A52181 [0,2,0,0,0,0|0,0,2]=4 880 B12R1.5 COC1=CC=C([C@@H](N)CO)C=C1 A52182 [0,2,0,0,0,0|0,0,2]=4 881 B12R1.5 COC1=CN=C(C(=N)NO)C=C1 H46346 [0,2,0,0,0,0|1,0,1]=4 882 B12R1.5 N#CC1=CC=C(C(=O)CBr)C=C1 B50921 [0,2,0,0,0,0|2,0,0]=4 883 B12R1.5 N#CC1=CC=C(C(=O)NN)C=C1 C48390 [0,2,0,0,0,0|2,0,0]=4 884 B12R1.6 CNC1=CC=C(S(C)(=O)=O)C=C1 M49530 [0,2,0,0,0,0|2,0,0]=4 885 B12R1.6 COC1=CC=C(C(C)(C)C)C=C1 B54952 [0,2,0,0,0,0|1,0,1]=4 886 B12R1.6 COC1=CC=C(C(F)(F)F)C=C1 M48749 [0,2,0,0,0,0|1,0,1]=4 887 B12R1.6 COC1=CC=C(S(N)(=O)=O)C=C1 M46436 [0,2,0,0,0,0|1,0,0]=3 888 B12R1.6 CS(=O)(=O)C1=CC=C(C=O)C=C1 M67503 [0,2,0,0,0,0|0,1,0]=3 889 B12R1.6 O=CC1=CC=C(C(F)(F)F)C=C1 F68115 [0,2,0,0,0,0|2,0,0]=4 890 B12R1.6 O=CC1=CC=C(S(=O)(=O)O)C=C1 F64048 [0,2,0,0,0,0|1,1,0]=4 891 B12R1.48 C#CC1=C(C)C=C(C(=O)O)C=C1 E53795 [0,2,0,0,0,0|1,0,1]=4 892 B12R1.48 C#CC1=C(Cl)C=C(C(=O)O)C=C1 C50768 [0,2,0,0,0,0|1,0,1]=4 893 B12R1.48 C#CC1=C(F)C=C(C(=O)O)C=C1 E50773 [0,2,0,0,0,0|1,0,1]=4 894 B12R1.48 CC(=O)C1=CC(F)=C(C#N)C=C1 A61009 [0,2,0,0,0,0|2,0,0]=4 895 B12R1.48 CC1=C(C#N)C=CC(C(=O)O)=C1 C51177 [0,2,0,0,0,0|2,0,0]=4 896 B12R1.48 CC1=C(C=O)C=CC(N(C)C)=C1 D67269 [0,2,0,0,0,0|1,0,0]=3 897 B12R1.48 CCC1=C(Br)C=C(C(=O)O)C=C1 B36941 [0,2,0,0,0,0|1,0,0]=3 898 B12R1.48 CCC1=C(N)C=C(C(=O)O)C=C1 A50040 [0,2,0,0,0,0|1,0,0]=3 899 B12R1.48 CCC1=C(N)C=C([N+](=O)[O-])C=C1 E46659 [0,2,0,0,0,0|2,0,0]=4 900 B12R1.48 CCN1C=CC(C(=O)O)=CC1=O E49341 [0,2,0,0,0,0|2,0,0]=4 901 B12R1.48 CN(C)C1=CC(O)=C(C=O)C=C1 D50075 [0,2,0,0,0,0|1,0,0]=3 902 B12R1.48 CNC1=C(C)C=C([N+](=O)[O-])C=C1 D46672 [0,2,0,0,0,0|2,0,0]=4 903 B12R1.48 CNC1=C(N)C=C(C(=O)O)C=C1 A46677 [0,2,0,0,0,0|1,0,0]=3 904 B12R1.48 CNC1=C(N)C=C([N+](=O)[O-])C=C1 M46347 [0,2,0,0,0,0|2,0,0]=4 905 B12R1.48 COC1=C(Br)C=C(C(=O)O)C=C1 B48640 [0,2,0,0,0,0|0,0,0]=2 906 B12R1.48 COC1=C(Br)C=C(C(=O)O)C=N1 B45411 [0,2,0,0,0,0|1,0,0]=3 907 B12R1.48 COC1=C(Br)C=C(C(C)=O)C=C1 B51906 [0,2,0,0,0,0|0,0,0]=2 908 B12R1.48 COC1=C(Br)C=C([N+](=O)[O-])C=C1 B39390 [0,2,0,0,0,0|1,0,0]=3 909 B12R1.48 COC1=C(Br)C=C([N+](=O)[O-])C=N1 B42431 [0,2,0,0,0,0|2,0,0]=4 910 B12R1.48 COC1=C(C)C=C(B(O)O)C=C1 M2759 [0,2,0,0,0,0|1,0,1]=4 911 B12R1.48 COC1=C(C)C=C(C(=O)O)C=C1 M49918 [0,2,0,0,0,0|0,0,0]=2 912 B12R1.48 COC1=C(C)C=C(C(C)=O)C=C1 M52806 [0,2,0,0,0,0|0,0,0]=2 913 B12R1.48 COC1=C(C)C=C([N+](=O)[O-])C=C1 M49329 [0,2,0,0,0,0|1,0,0]=3 914 B12R1.48 COC1=C(Cl)C=C(B(O)O)C=C1 C2212 [0,2,0,0,0,0|1,0,1]=4 915 B12R1.48 COC1=C(Cl)C=C(C(=O)O)C=C1 C36658 [0,2,0,0,0,0|0,0,0]=2 916 B12R1.48 COC1=C(Cl)C=C(C(=O)O)N=C1 C13348 [0,2,0,0,0,0|1,0,0]=3 917 B12R1.48 COC1=C(Cl)C=C([N+](=O)[O-])C=N1 C42439 [0,2,0,0,0,0|2,0,0]=4 918 B12R1.48 COC1=C(F)C=C(B(O)O)C=C1 F3260 [0,2,0,0,0,0|1,0,1]=4 919 B12R1.48 COC1=C(F)C=C(C(=O)O)C=C1 F69026 [0,2,0,0,0,0|0,0,0]=2 920 B12R1.48 COC1=C(F)C=C(C(=O)O)C=N1 F45448 [0,2,0,0,0,0|1,0,0]=3 921 B12R1.48 COC1=C(F)C=C(C(C)=O)C=C1 F51937 [0,2,0,0,0,0|0,0,0]=2 922 B12R1.48 COC1=C(F)C=C([C@H](C)N)C=C1 F52155 [0,2,0,0,0,0|1,0,1]=4 923 B12R1.48 COC1=C(F)C=C([C@H](C)N)C=C1 F63085 [0,2,0,0,0,0|1,0,1]=4 924 B12R1.48 COC1=C(F)C=C([N+](=O)[O-])C=C1 F45441 [0,2,0,0,0,0|1,0,0]=3 925 B12R1.48 COC1=C(I)C=C([N+](=O)[O-])C=C1 K69650 [0,2,0,0,0,0|1,0,0]=3 926 B12R1.48 COC1=C(N)C=C(C(=O)O)C=C1 A69041 [0,2,0,0,0,0|0,0,0]=2 927 B12R1.48 COC1=C(N)C=C([N+](=O)[O-])C=C1 M39427 [0,2,0,0,0,0|1,0,0]=3 928 B12R1.48 COC1=C(N)C=C([N+](=O)[O-])C=C1 M60757 [0,2,0,0,0,0|1,0,0]=3 929 B12R1.48 COC1=C(O)C=C([N+](=O)[O-])C=C1 M39400 [0,2,0,0,0,0|1,0,0]=3 930 B12R1.48 COC1=CC=C(C(=O)O)N=C1Br B45415 [0,2,0,0,0,0|1,0,0]=3 931 B12R1.48 COC1=CC=C([N+](=O)[O-])N=C1Br B42430 [0,2,0,0,0,0|2,0,0]=4 932 B12R1.48 COC1=NC=C([N+](=O)[O-])C=C1C M46031 [0,2,0,0,0,0|2,0,0]=4 933 B12R1.48 N#CC1=C(Cl)C=C(C(=O)O)C=C1 C47394 [0,2,0,0,0,0|2,0,0]=4 934 B12R1.48 N#CC1=C(F)C=C(C(=O)O)C=C1 C47404 [0,2,0,0,0,0|2,0,0]=4 935 B12R1.48 N#CC1=C(N)C=C(C(=O)O)C=C1 A36828 [0,2,0,0,0,0|2,0,0]=4 936 B12R1.48 NC1=C(C=O)C=CC([N+](=O)[O-])=C1 A45244 [0,2,0,0,0,0|2,0,0]=4 937 B12R1.48 O=CC1=C(Br)C=C(C(=O)O)C=C1 B47798 [0,2,0,0,0,0|2,0,0]=4 938 B12R1.48 O=CC1=C(Br)C=C([N+](=O)[O-])C=C1 B38390 [0,2,0,0,0,0|2,0,0]=4 939 B12R1.48 O=CC1=C(F)C=C(B(O)O)C=C1 F3210 [0,2,0,0,0,0|2,0,0]=4 940 B12R1.48 O=CC1=C(F)C=C([N+](=O)[O-])C=C1 F44475 [0,2,0,0,0,0|2,0,0]=4 941 B12R1.48 O=CC1=C(O)C=C(C(=O)O)C=C1 F48232 [0,2,0,0,0,0|2,0,0]=4 942 B12R1.48 O=CC1=C(O)C=C([N+](=O)[O-])C=C1 H68122 [0,2,0,0,0,0|2,0,0]=4 943 B12R1.113 CC#CC1=CC=C(C(=O)O)C=C1 P53794 [0,2,0,0,0,0|1,0,0]=3 944 B12R1.113 CCCC1=CC=C(C(=O)O)C=C1 P39602 [0,2,0,0,0,0|1,0,0]=3 945 B12R1.113 CCOC1=CC=C(B(O)O)C=C1 E3100 [0,2,0,0,0,0|1,0,1]=4 946 B12R1.113 CCOC1=CC=C(C(C)=O)C=C1 E52787 [0,2,0,0,0,0|0,0,0]=2 947 B12R1.113 CCOC1=CN=C(C(=O)O)C=C1 E49300 [0,2,0,0,0,0|1,0,0]=3 948 B12R1.113 CCOC1=CN=C(C(=O)O)C=N1 E46032 [0,2,0,0,0,0|2,0,0]=4 949 B12R1.113 CCOC1=NC=C([N+](=O)[O-])C=C1 E46022 [0,2,0,0,0,0|2,0,0]=4 950 B12R1.113 CNCC1=CC=C([N+](=O)[O-])C=C1 M46683 [0,2,0,0,0,0|2,0,0]=4 951 B12R1.113 NCCC1=CC=C([N+](=O)[O-])C=C1 N37750 [0,2,0,0,0,0|2,0,0]=4 952 B12R1.113 O=C(O)C1=CC=C(CCBr)C=C1 B51878 [0,2,0,0,0,0|1,0,0]=3 953 B12R1.113 O=C(O)C1=CC=C(CCO)C=C1 H49916 [0,2,0,0,0,0|1,0,0]=3 954 B12R1.113 O=[N+]([O-])C1=CC=C(CCBr)C=C1 B68534 [0,2,0,0,0,0|2,0,0]=4 955 B12R1.113 O=[N+]([O-])C1=CC=C(CCO)C=C1 N4656 [0,2,0,0,0,0|2,0,0]=4 956 B12R1.256 CC(=O)C1=CC=C(B(O)O)C=C1 A49401 [0,2,0,0,0,0|2,0,0]=4 957 B12R1.256 CC(=O)C1=CC=C(C(=O)O)C=C1 A67428 [0,2,0,0,0,0|1,0,0]=3 958 B12R1.256 CC(=O)C1=CC=C(N(C)C)C=C1 D39613 [0,2,0,0,0,0|1,0,0]=3 959 B12R1.256 CC(=O)C1=NC=C(C(C)C)C=C1 P52923 [0,2,0,0,0,0|2,0,0]=4 960 B12R1.256 CN(C)C1=NC=C(C(=O)O)C=C1 D64546 [0,2,0,0,0,0|2,0,0]=4 961 B12R1.256 C[C@@H](N)C1=CC=C(C(=O)O)C=C1 A52113 [0,2,0,0,0,0|1,0,0]=3 962 B12R1.256 C[C@@H](N)C1=CC=C([N+](=O)[O-])C=C1 N65405 [0,2,0,0,0,0|2,0,0]=4 963 B12R1.256 C[C@@H](O)C1=CC=C([N+](=O)[O-])C=C1 N49316 [0,2,0,0,0,0|2,0,0]=4 964 B12R1.256 C[C@H](Br)C1=CC=C([N+](=O)[O-])C=C1 B48914 [0,2,0,0,0,0|2,0,0]=4 965 B12R1.256 C[C@H](N)C1=CC=C(C(=O)O)C=C1 A22822 [0,2,0,0,0,0|1,0,0]=3 966 B12R1.256 C[C@H](N)C1=CC=C(C(=O)O)C=C1 A50063 [0,2,0,0,0,0|1,0,0]=3 967 B12R1.256 C[C@H](N)C1=CC=C(C(=O)O)C=C1 A52114 [0,2,0,0,0,0|1,0,0]=3 968 B12R1.256 C[C@H](N)C1=CC=C([N+](=O)[O-])C=C1 N49496 [0,2,0,0,0,0|2,0,0]=4 969 B12R1.256 C[C@H](O)C1=CC=C(C(=O)O)C=C1 H49915 [0,2,0,0,0,0|1,0,0]=3 970 B12R1.256 C[C@H](O)C1=CC=C(C(N)=O)C=C1 H50041 [0,2,0,0,0,0|1,0,0]=3 971 B12R1.256 N=C(N)C1=CC=C(C(=O)O)C=C1 C38812 [0,2,0,0,0,0|2,0,0]=4 972 B12R1.256 N=C(N)C1=CC=C(C(N)=O)C=C1 C49628 [0,2,0,0,0,0|2,0,0]=4 973 B12R1.256 NC(=O)C1=CC=C(B(O)O)C=C1 A1160 [0,2,0,0,0,0|2,0,0]=4 974 B12R1.256 O=C(O)C1=CC=C(B(O)O)C=C1 C2180 [0,2,0,0,0,0|2,0,0]=4 975 B12R1.256 O=C(O)C1=CC=C([N+](=O)[O-])C=C1 P67039 [0,2,0,0,0,0|2,0,0]=4 976 B12R1.256 O=C([O-])C1=CC=C([N+](=O)[O-])C=C1 S46455 [0,2,0,0,0,0|2,0,0]=4 977 B12R1.452 C#CC1=CC(Cl)=C(C(=O)O)C=C1 C50767 [0,2,0,0,0,0|1,0,1]=4 978 B12R1.452 C#CC1=CC(F)=C(C(=O)O)C=C1 E50772 [0,2,0,0,0,0|1,0,1]=4 979 B12R1.452 CC1=C(C(=O)O)C=CC(C#N)=C1 C63687 [0,2,0,0,0,0|2,0,0]=4 980 B12R1.452 CC1=C(N(C)C)C=CC(C=O)=C1 D52927 [0,2,0,0,0,0|1,0,0]=3 981 B12R1.452 CC1=C([N+](=O)[O-])C=CC(C=O)=C1 M48499 [0,2,0,0,0,0|2,0,0]=4 982 B12R1.452 COC1=CC(Br)=C(C(=O)O)C=C1 B38494 [0,2,0,0,0,0|0,0,0]=2 983 B12R1.452 COC1=CC(Br)=C([N+](=O)[O-])C=C1 B45420 [0,2,0,0,0,0|1,0,0]=3 984 B12R1.452 COC1=CC(C)=C(B(O)O)C=C1 M4226 [0,2,0,0,0,0|1,0,1]=4 985 B12R1.452 COC1=CC(C)=C(C(=O)O)C=C1 M49917 [0,2,0,0,0,0|0,0,0]=2 986 B12R1.452 COC1=CC(C)=C([N+](=O)[O-])C=C1 M39518 [0,2,0,0,0,0|1,0,0]=3 987 B12R1.452 COC1=CC(C)=C([N+](=O)[O-])C=N1 M3749 [0,2,0,0,0,0|2,0,0]=4 988 B12R1.452 COC1=CC(Cl)=C(B(O)O)C=C1 C2208 [0,2,0,0,0,0|1,0,1]=4 989 B12R1.452 COC1=CC(Cl)=C(C(=O)O)C=C1 C68933 [0,2,0,0,0,0|0,0,0]=2 990 B12R1.452 COC1=CC(Cl)=C(C(=O)O)N=C1 C45433 [0,2,0,0,0,0|1,0,0]=3 991 B12R1.452 COC1=CC(Cl)=C(C(C)=O)C=C1 C51927 [0,2,0,0,0,0|0,0,0]=2 992 B12R1.452 COC1=CC(Cl)=C([N+](=O)[O-])C=C1 C45438 [0,2,0,0,0,0|1,0,0]=3 993 B12R1.452 COC1=CC(Cl)=C([N+](=O)[O-])C=N1 C13431 [0,2,0,0,0,0|2,0,0]=4 994 B12R1.452 COC1=CC(F)=C(B(O)O)C=C1 F3224 [0,2,0,0,0,0|1,0,1]=4 995 B12R1.452 COC1=CC(F)=C(C(=O)O)C=C1 F67517 [0,2,0,0,0,0|0,0,0]=2 996 B12R1.452 COC1=CC(F)=C(C(C)=O)C=C1 F15561 [0,2,0,0,0,0|0,0,0]=2 997 B12R1.452 COC1=CC(F)=C(C(C)C)C=C1 F15562 [0,2,0,0,0,0|1,0,1]=4 998 B12R1.452 COC1=CC(F)=C([C@H](C)N)C=C1 F52154 [0,2,0,0,0,0|1,0,1]=4 999 B12R1.452 COC1=CC(F)=C([N+](=O)[O-])C=C1 F38632 [0,2,0,0,0,0|1,0,0]=3 1000 B12R1.452 COC1=CC(I)=C(C(=O)O)C=C1 K48689 [0,2,0,0,0,0|0,0,0]=2 1001 B12R1.452 COC1=CC(I)=C([N+](=O)[O-])C=C1 K45457 [0,2,0,0,0,0|1,0,0]=3 1002 B12R1.452 COC1=CC(N)=C(C(=O)O)C=C1 A10725 [0,2,0,0,0,0|0,0,0]=2 1003 B12R1.452 COC1=CC(N)=C(C(=O)O)C=N1 A12851 [0,2,0,0,0,0|1,0,0]=3 1004 B12R1.452 COC1=CC(N)=C(C(C)=O)C=C1 A61340 [0,2,0,0,0,0|0,0,0]=2 1005 B12R1.452 COC1=CC(N)=C([N+](=O)[O-])C=C1 M46026 [0,2,0,0,0,0|1,0,0]=3 1006 B12R1.452 COC1=CC(N)=C([N+](=O)[O-])C=N1 M43116 [0,2,0,0,0,0|2,0,0]=4 1007 B12R1.452 COC1=CC(O)=C(C(=O)O)C=C1 H49115 [0,2,0,0,0,0|0,0,0]=2 1008 B12R1.452 COC1=CC(O)=C(C(=O)[O-])C=C1 P46627 [0,2,0,0,0,0|0,0,0]=2 1009 B12R1.452 COC1=CC(O)=C(C(C)=O)C=C1 H1583 [0,2,0,0,0,0|0,0,0]=2 1010 B12R1.452 COC1=CC(O)=C([N+](=O)[O-])C=C1 M45859 [0,2,0,0,0,0|1,0,0]=3 1011 B12R1.452 COC1=CC=C(C(=O)O)C(Cl)=N1 C45432 [0,2,0,0,0,0|1,0,0]=3 1012 B12R1.452 COC1=CC=C([N+](=O)[O-])C(=O)N1 M62251 [0,2,0,0,0,0|2,0,0]=4 1013 B12R1.452 COC1=CC=C([N+](=O)[O-])C(Br)=N1 B9628 [0,2,0,0,0,0|2,0,0]=4 1014 B12R1.452 COC1=CC=C([N+](=O)[O-])C(Cl)=N1 C42438 [0,2,0,0,0,0|2,0,0]=4 1015 B12R1.452 COC1=CC=C([N+](=O)[O-])C(I)=N1 K62217 [0,2,0,0,0,0|2,0,0]=4 1016 B12R1.452 COC1=CN=C(C(=O)O)C(N)=C1 A62991 [0,2,0,0,0,0|1,0,0]=3 1017 B12R1.452 COC1=NC(C)=C([N+](=O)[O-])C=C1 M46033 [0,2,0,0,0,0|2,0,0]=4 1018 B12R1.452 COC1=NC(N)=C([N+](=O)[O-])C=C1 M39276 [0,2,0,0,0,0|2,0,0]=4 1019 B12R1.452 N#CC1=CC(Br)=C(C(=O)O)C=C1 B47384 [0,2,0,0,0,0|2,0,0]=4 1020 B12R1.452 N#CC1=CC(Cl)=C(C(=O)O)C=C1 C16998 [0,2,0,0,0,0|2,0,0]=4 1021 B12R1.452 N#CC1=CC(F)=C(C(=O)O)C=C1 C47403 [0,2,0,0,0,0|2,0,0]=4 1022 B12R1.452 N#CC1=CC(I)=C(C(=O)O)C=C1 C47410 [0,2,0,0,0,0|2,0,0]=4 1023 B12R1.452 NNC1=CC(Cl)=C(C(=O)O)C=C1 C45664 [0,2,0,0,0,0|2,0,0]=4 1024 B12R1.452 O=C(O)C1=C(F)C=C(CO)C=C1 F63304 [0,2,0,0,0,0|2,0,0]=4 1025 B12R1.452 O=CC1=CC(Br)=C([N+](=O)[O-])C=C1 B44462 [0,2,0,0,0,0|2,0,0]=4 1026 B12R1.452 O=CC1=CC(Cl)=C(B(O)O)C=C1 C60984 [0,2,0,0,0,0|2,0,0]=4 1027 B12R1.452 O=CC1=CC(Cl)=C(C(=O)O)C=C1 C63482 [0,2,0,0,0,0|2,0,0]=4 1028 B12R1.452 O=CC1=CC(Cl)=C([N+](=O)[O-])C=C1 C62226 [0,2,0,0,0,0|2,0,0]=4 1029 B12R1.452 O=CC1=CC(F)=C(B(O)O)C=C1 F68684 [0,2,0,0,0,0|2,0,0]=4 1030 B12R1.452 O=CC1=CC(F)=C([N+](=O)[O-])C=C1 F44477 [0,2,0,0,0,0|2,0,0]=4 1031 B12R1.452 O=CC1=CC(O)=C([N+](=O)[O-])C=C1 F69273 [0,2,0,0,0,0|2,0,0]=4 1032 B12R1.4 C=CC1=CC=C(OC(C)=O)C=C1 A52418 [0,2,0,0,0,0|1,0,0]=3 1033 B12R1.4 CC(=O)NC1=CC=C(C#N)C=C1 C60964 [0,2,0,0,0,0|2,0,0]=4 1034 B12R1.4 CC(=O)NC1=CC=C(C=O)C=C1 F61966 [0,2,0,0,0,0|1,0,0]=3 1035 B12R1.4 CC(=O)NC1=CC=C(CN)C=C1 A50169 [0,2,0,0,0,0|2,0,0]=4 1036 B12R1.4 CC(=O)NC1=CC=C(CN)C=C1 A52132 [0,2,0,0,0,0|2,0,0]=4 1037 B12R1.4 CC(=O)OC1=CC=C(CBr)C=C1 B51883 [0,2,0,0,0,0|1,0,1]=4 1038 B12R1.4 CC(C)OC1=CC=C(C#N)C=C1 P63801 [0,2,0,0,0,0|1,0,1]=4 1039 B12R1.4 CC(C)OC1=CC=C(C=O)C=C1 P52789 [0,2,0,0,0,0|0,0,0]=2 1040 B12R1.4 CC(C)OC1=CC=C(NN)C=C1 P52189 [0,2,0,0,0,0|2,0,0]=4 1041 B12R1.4 CC(C)OC1=NC=C(C=O)C=C1 P50045 [0,2,0,0,0,0|1,0,0]=3 1042 B12R1.4 COC1=CC=C(CC(=O)O)C=C1 M37629 [0,2,0,0,0,0|0,0,0]=2 1043 B12R1.4 COC1=CC=C(CC(C)=O)C=C1 M39603 [0,2,0,0,0,0|0,0,0]=2 1044 B12R1.4 COC1=CC=C(CC(N)=O)C=C1 M50047 [0,2,0,0,0,0|0,0,0]=2 1045 B12R1.4 COC1=CC=C(OC(=O)Cl)C=C1 M48659 [0,2,0,0,0,0|0,0,0]=2 1046 B12R1.4 CSC1=CC=C(CC(=O)O)C=C1 M49906 [0,2,0,0,0,0|0,1,0]=3 1047 B12R1.4 FC(F)OC1=CC=C(CBr)C=C1 B48723 [0,2,0,0,0,0|1,0,1]=4 1048 B12R1.4 N#CC1=CC=C(CC(=O)O)C=C1 C51175 [0,2,0,0,0,0|2,0,0]=4 1049 B12R1.4 N#CC1=CC=C(OC(F)F)C=C1 D47752 [0,2,0,0,0,0|1,0,1]=4 1050 B12R1.4 NCC1=CC=C(CC(=O)O)C=C1 A52120 [0,2,0,0,0,0|2,0,0]=4 1051 B12R1.4 O=C(O)CC1=CC=C(CBr)C=C1 B51900 [0,2,0,0,0,0|2,0,0]=4 1052 B12R1.4 O=C(O)CC1=CC=C(CO)C=C1 H49932 [0,2,0,0,0,0|2,0,0]=4 1053 B12R1.4 O=CC1=CC=C(CC(=O)O)C=C1 F51626 [0,2,0,0,0,0|1,0,1]=4 1054 B12R1.4 O=CC1=CC=C(OC(F)F)C=C1 D48189 [0,2,0,0,0,0|0,0,0]=2 1055 B12R1.4 O=CC1=CN=C(OC(F)F)C=C1 D44994 [0,2,0,0,0,0|1,0,0]=3 1056 B12R1.4 OCC1=CC=C(OC(F)F)C=C1 D49085 [0,2,0,0,0,0|0,0,2]=4 1057 B12R1.71 C#CC1=CC=C(OCCC)C=C1 E54537 [0,2,0,0,0,0|1,0,1]=4 1058 B12R1.71 CCCOC1=CC=C(C=O)C=C1 P2642 [0,2,0,0,0,0|0,0,0]=2 1059 B12R1.71 CCNCC1=CC=C(OC)C=C1 M53139 [0,2,0,0,0,0|1,0,1]=4 1060 B12R1.71 COC1=CC=C(CCCN)C=C1 M53143 [0,2,0,0,0,0|1,0,1]=4 1061 B12R1.71 COC1=CC=C(CN=[N+]=[N-])C=C1 A9117 [0,2,0,0,0,0|1,0,1]=4 1062 B12R1.71 COC1=CC=C(CNC=O)C=C1 M50050 [0,2,0,0,0,0|0,0,0]=2 1063 B12R1.71 COC1=CC=C(OCCN)C=C1 M50362 [0,2,0,0,0,0|1,0,1]=4 1064 B12R1.71 O=CC1=CC=C(OCCBr)C=C1 B51882 [0,2,0,0,0,0|0,0,0]=2 1065 B12R1.71 O=CC1=CC=C(OCCO)C=C1 H49920 [0,2,0,0,0,0|0,0,0]=2 1066 B12R1.114 CCOC1=C(Br)C=C(C=O)C=C1 B51877 [0,2,0,0,0,0|0,0,0]=2 1067 B12R1.114 COC1=CC(C)=C(CC#N)C=C1 M52552 [0,2,0,0,0,0|1,0,1]=4 1068 B12R1.288 COC1=C(Br)C=C(CC#N)C=C1 B62199 [0,2,0,0,0,0|1,0,1]=4 1069 B12R1.288 COC1=C(F)C=C(CC#N)C=C1 F51535 [0,2,0,0,0,0|1,0,1]=4 1070 B12R1.288 COC1=C(F)C=C(CCO)C=C1 F50130 [0,2,0,0,0,0|0,0,2]=4 1071 B12R1.288 COC1=C(O)C=C(CCN)C=C1 A69548 [0,2,0,0,0,0|1,0,1]=4 1072 B12R1.78 C#CC1=C(CO)C=C(OC)C=C1 E38958 [0,2,0,0,0,0|1,0,1]=4 1073 B12R1.78 C=CC1=CC(OC)=C(OC)C=C1 D52795 [0,2,0,0,0,0|1,0,0]=3 1074 B12R1.78 CCC1=CC(OC)=C(OC)C=C1 E53088 [0,2,0,0,0,0|1,0,1]=4 1075 B12R1.78 COC1=C(C=O)C=CC(C#N)=C1 F51180 [0,2,0,0,0,0|2,0,0]=4 1076 B12R1.78 COC1=C(OC)C=C(C#N)C=C1 D60501 [0,2,0,0,0,0|1,0,1]=4 1077 B12R1.78 COC1=C(OC)C=C(C=O)C=C1 V69274 [0,2,0,0,0,0|0,0,0]=2 1078 B12R1.78 COC1=C(OC)C=C(CBr)C=C1 B38021 [0,2,0,0,0,0|1,0,1]=4 1079 B12R1.78 COC1=C(OC)C=C(NN)C=C1 D67774 [0,2,0,0,0,0|2,0,0]=4 1080 B12R1.78 COC1=CC(C#N)=C(C=O)C=C1 C69491 [0,2,0,0,0,0|0,0,0]=2 1081 B12R1.78 COC1=CC(C#N)=C(OC)C=C1 D51773 [0,2,0,0,0,0|2,0,0]=4 1082 B12R1.78 COC1=CC(C=O)=C(OC)C=C1 D39536 [0,2,0,0,0,0|2,0,0]=4 1083 B12R1.78 COC1=CC(OC)=C(CN)C=C1 D37838 [0,2,0,0,0,0|1,0,1]=4 1084 B12R1.78 COC1=NC(OC)=C(C=O)C=C1 F2597 [0,2,0,0,0,0|1,0,0]=3 1085 B12R1.78 COC1=NC(OC)=C(C=O)C=N1 D46036 [0,2,0,0,0,0|2,0,0]=4 1086 B12R1.301 COC1=C(Br)C=C(C=O)C=C1Br D48120 [0,2,0,0,0,0|0,0,0]=2 1087 B12R1.301 COC1=C(C)C=C(C#N)C=C1C M52550 [0,2,0,0,0,0|1,0,1]=4 1088 B12R1.301 COC1=C(C)C=C(C=O)C=C1C D52808 [0,2,0,0,0,0|0,0,0]=2 1089 B12R1.301 COC1=C(F)C=C(C#N)C=C1F D63907 [0,2,0,0,0,0|1,0,1]=4 1090 B12R1.301 COC1=C(F)C=C(CO)C=C1F D49086 [0,2,0,0,0,0|0,0,2]=4 1091 B12R1.301 COC1=C(I)C=C(C#N)C=C1I D47758 [0,2,0,0,0,0|1,0,1]=4 1092 B12R1.301 COC1=CC(Br)=C(OC)C(N)=C1 B46773 [0,2,0,0,0,0|2,0,0]=4 1093 B12R1.301 COC1=CC(C)=C(C=O)C(C)=C1 M52811 [0,2,0,0,0,0|0,0,0]=2 1094 B12R1.301 COC1=CC(F)=C(C=O)C(F)=C1 D48201 [0,2,0,0,0,0|0,0,0]=2 1095 B12R1.301 N#CC1=C(F)C=C(C=O)C=C1F D47308 [0,2,0,0,0,0|2,0,0]=4 1096 B12R1.301 N#CC1=CC(Br)=C(C=O)C(Br)=C1 D65742 [0,2,0,0,0,0|2,0,0]=4 1097 B12R1.301 N#CC1=CC(F)=C(C=O)C(F)=C1 D47309 [0,2,0,0,0,0|2,0,0]=4 1098 B12R1.450 COC1=C(Br)C=C(C=O)C(O)=C1 B48651 [0,2,0,0,0,0|0,0,0]=2 1099 B12R1.450 COC1=C(F)C=C(C#N)C(F)=C1 D47753 [0,2,0,0,0,0|1,0,1]=4 1100 B12R1.450 COC1=C(F)C=C(C=O)C(F)=C1 D48200 [0,2,0,0,0,0|0,0,0]=2 1101 B12R1.450 COC1=CC(Br)=C(C=O)C=C1O B48650 [0,2,0,0,0,0|0,0,0]=2 1102 B12R1.450 COC1=CC(Br)=C(OC)C=C1Br D3514 [0,2,0,0,0,0|2,0,0]=4 1103 B12R1.450 COC1=CC(C)=C(C=O)C=C1C M52810 [0,2,0,0,0,0|0,0,0]=2 1104 B12R1.450 COC1=CC(I)=C(OC)C=C1Br B49083 [0,2,0,0,0,0|2,0,0]=4 1105 B12R1.450 COC1=CC(I)=C(OC)C=C1I D49087 [0,2,0,0,0,0|2,0,0]=4 1106 B12R1.450 O=CC1=CC(Br)=C(C=O)C=C1Br D47459 [0,2,0,0,0,0|2,0,0]=4 1107 B12R1.450 O=CC1=CC(O)=C(C=O)C=C1O D48234 [0,2,0,0,0,0|2,0,0]=4 1108 B12R1.653 COC1=C(C)C(C)=C(C=O)C=C1 M52809 [0,2,0,0,0,0|0,0,0]=2 1109 B12R1.653 COC1=C(C)C(N)=C(C#N)C=C1 A65382 [0,2,0,0,0,0|1,0,1]=4 1110 B12R1.653 COC1=C(O)C(O)=C(C=O)C=C1 D49118 [0,2,0,0,0,0|0,0,0]=2 1111 B12R1.653 COC1=CC=C(C=O)C(Cl)=C1O C48665 [0,2,0,0,0,0|0,0,0]=2 1112 B12R1.653 O=CC1=C(O)C(O)=C(C=O)C=C1 D48233 [0,2,0,0,0,0|2,0,0]=4 1113 B10R1.2 CC1=CC=CC(C=O)=C1Br B37238 [0,0,1,1,0,0|2,0,0]=4 1114 B10R1.2 CC1=CC=CC(C=O)=C1C D49873 [0,0,1,1,0,0|1,0,1]=4 1115 B10R1.2 CC1=CC=CC(C=O)=C1O M49066 [0,0,1,1,0,0|2,0,0]=4 1116 B10R1.2 COC1=C(Br)C(C)=CC=C1 B49438 [0,0,1,1,0,0|2,0,0]=4 1117 B10R1.2 COC1=C(Br)C(N)=CC=C1 B46150 [0,0,1,1,0,0|2,0,0]=4 1118 B10R1.2 COC1=C(Br)C(O)=CC=C1 B37391 [0,0,1,1,0,0|1,0,1]=4 1119 B10R1.2 COC1=C(C)C(C)=CC=C1 M50276 [0,0,1,1,0,0|1,0,1]=4 1120 B10R1.2 COC1=C(C)C(N)=CC=C1 M46898 [0,0,1,1,0,0|1,0,1]=4 1121 B10R1.2 COC1=C(C)C(N)=CC=C1 M49523 [0,0,1,1,0,0|1,0,1]=4 1122 B10R1.2 COC1=C(Cl)C(N)=CC=C1 C15640 [0,0,1,1,0,0|2,0,0]=4 1123 B10R1.2 COC1=C(Cl)C(N)=CC=C1 C64073 [0,0,1,1,0,0|2,0,0]=4 1124 B10R1.2 COC1=C(Cl)C(O)=CC=C1 C38626 [0,0,1,1,0,0|1,0,1]=4 1125 B10R1.2 COC1=C(F)C(N)=CC=C1 F36888 [0,0,1,1,0,0|2,0,0]=4 1126 B10R1.2 COC1=C(I)C(N)=CC=C1 K46227 [0,0,1,1,0,0|2,0,0]=4 1127 B10R1.2 COC1=C(N)C(C)=CC=C1 M46896 [0,0,1,1,0,0|2,0,0]=4 1128 B10R1.2 COC1=C(N)C(N)=CC=C1 M36728 [0,0,1,1,0,0|2,0,0]=4 1129 B10R1.2 COC1=C(N)C(O)=CC=C1 A46392 [0,0,1,1,0,0|1,0,1]=4 1130 B10R1.2 COC1=C(O)C(C)=CC=C1 M46825 [0,0,1,1,0,0|2,0,0]=4 1131 B10R1.2 COC1=C(O)C(N)=CC=C1 A46577 [0,0,1,1,0,0|2,0,0]=4 1132 B10R1.2 COC1=CC=CC(Br)=C1Br D45548 [0,0,1,1,0,0|2,0,0]=4 1133 B10R1.2 COC1=CC=CC(Br)=C1C B49435 [0,0,1,1,0,0|1,0,1]=4 1134 B10R1.2 COC1=CC=CC(Br)=C1Cl B45552 [0,0,1,1,0,0|2,0,0]=4 1135 B10R1.2 COC1=CC=CC(Br)=C1F B45572 [0,0,1,1,0,0|2,0,0]=4 1136 B10R1.2 COC1=CC=CC(Br)=C1I B45581 [0,0,1,1,0,0|2,0,0]=4 1137 B10R1.2 COC1=CC=CC(Br)=C1N B36703 [0,0,1,1,0,0|2,0,0]=4 1138 B10R1.2 COC1=CC=CC(Br)=C1O B1786 [0,0,1,1,0,0|2,0,0]=4 1139 B10R1.2 COC1=CC=CC(Cl)=C1Cl D39394 [0,0,1,1,0,0|2,0,0]=4 1140 B10R1.2 COC1=CC=CC(Cl)=C1F C45598 [0,0,1,1,0,0|2,0,0]=4 1141 B10R1.2 COC1=CC=CC(Cl)=C1N C46186 [0,0,1,1,0,0|2,0,0]=4 1142 B10R1.2 COC1=CC=CC(F)=C1Br B45576 [0,0,1,1,0,0|2,0,0]=4 1143 B10R1.2 COC1=CC=CC(F)=C1F D45604 [0,0,1,1,0,0|2,0,0]=4 1144 B10R1.2 COC1=CC=CC(F)=C1N F38548 [0,0,1,1,0,0|2,0,0]=4 1145 B10R1.2 COC1=CC=CC(F)=C1O F45916 [0,0,1,1,0,0|2,0,0]=4 1146 B10R1.2 COC1=CC=CC(I)=C1Br B63575 [0,0,1,1,0,0|2,0,0]=4 1147 B10R1.2 COC1=CC=CC(I)=C1O K45923 [0,0,1,1,0,0|2,0,0]=4 1148 B10R2.31 BrC1=CC2=C(C=C1)CC2 B48297 [1,0,0,1,0,0|2,0,0]=4 1149 B12R2.9 O=CC1=CC=C(C2CC2)C=C1 C52411 [0,1,0,1,0,0|1,0,0]=3 1150 B12R2.1384 O=C(O)C1=CC2=C(C=C1)CC2 B51559 [0,1,0,1,0,0|1,0,0]=3 1151 B12R2.44 C#CC1=CC2=C(C=C1)OCO2 E50963 [0,1,0,1,0,0|1,0,1]=4 1152 B12R2.44 COC1=CC2=C(C=C1)C=NN2 M0480 [0,1,0,1,0,0|1,0,0]=3 1153 B12R2.44 COC1=CC2=C(C=C1)CCN2 M52102 [0,1,0,1,0,0|1,0,1]=4 1154 B12R2.44 COC1=CC2=C(C=C1)CNC2 M52106 [0,1,0,1,0,0|1,0,1]=4 1155 B12R2.44 COC1=CC2=C(C=C1)N=CS2 M48553 [0,1,0,1,0,0|0,1,0]=3 1156 B12R2.44 COC1=CC2=C(C=C1)NC=N2 M48805 [0,1,0,1,0,0|1,0,0]=3 1157 B12R2.44 COC1=CC2=C(C=C1)NCC2 M22375 [0,1,0,1,0,0|1,0,1]=4 1158 B12R2.44 COC1=CC2=C(C=C1)NCC2 M52101 [0,1,0,1,0,0|1,0,1]=4 1159 B12R2.44 COC1=CC2=C(C=C1)NN=C2 M7598 [0,1,0,1,0,0|2,0,0]=4 1160 B12R2.44 COC1=CC2=C(C=C1)SC=C2 M51661 [0,1,0,1,0,0|1,0,0]=3 1161 B12R2.44 COC1=CC2=C(C=CC2)C=C1 M52406 [0,1,0,1,0,0|1,0,0]=3 1162 B12R2.44 COC1=CC2=C(C=CN2)C=C1 M2150 [0,1,0,1,0,0|1,0,0]=3 1163 B12R2.44 COC1=CC2=C(C=CO2)C=C1 M51550 [0,1,0,1,0,0|0,0,1]=3 1164 B12R2.44 COC1=CC2=C(C=CS2)C=C1 M26356 [0,1,0,1,0,0|0,1,0]=3 1165 B12R2.44 COC1=CN=C2C=CNC2=C1 M15516 [0,1,0,1,0,0|2,0,0]=4 1166 B12R2.44 COC1=CN=C2NC=CC2=C1 M0089 [0,1,0,1,0,0|2,0,0]=4 1167 B12R2.44 COC1=NC2=C(C=C1)C=NN2 M13723 [0,1,0,1,0,0|2,0,0]=4 1168 B12R2.44 COC1=NC2=C(C=C1)NC=C2 M12531 [0,1,0,1,0,0|2,0,0]=4 1169 B12R2.44 COC1=NC2=C(C=CN2)C=C1 M9656 [0,1,0,1,0,0|2,0,0]=4 1170 B12R2.44 COC1=NC=C2C=CNC2=C1 M15514 [0,1,0,1,0,0|2,0,0]=4 1171 B12R2.44 COC1=NC=C2NC=CC2=C1 M4689 [0,1,0,1,0,0|2,0,0]=4 1172 B12R2.44 N#CC1=CC2=C(C=C1)OCO2 M47716 [0,1,0,1,0,0|1,0,1]=4 1173 B12R2.44 O=CC1=CC2=C(C=C1)C=NN2 I9282 [0,1,0,1,0,0|2,0,0]=4 1174 B12R2.44 O=CC1=CC2=C(C=C1)CCC2 K52409 [0,1,0,1,0,0|1,0,0]=3 1175 B12R2.44 O=CC1=CC2=C(C=C1)N=CO2 B67798 [0,1,0,1,0,0|1,0,1]=4 1176 B12R2.44 O=CC1=CC2=C(C=C1)N=CS2 B47759 [0,1,0,1,0,0|1,0,1]=4 1177 B12R2.44 O=CC1=CC2=C(C=C1)NC=C2 F2137 [0,1,0,1,0,0|1,0,1]=4 1178 B12R2.44 O=CC1=CC2=C(C=C1)NN=C2 I5564 [0,1,0,1,0,0|1,0,1]=4 1179 B12R2.44 O=CC1=CC2=C(C=C1)OC=C2 B37163 [0,1,0,1,0,0|0,0,1]=3 1180 B12R2.44 O=CC1=CC2=C(C=C1)OC=N2 B61014 [0,1,0,1,0,0|0,0,1]=3 1181 B12R2.44 O=CC1=CC2=C(C=C1)OCC2 D51558 [0,1,0,1,0,0|0,0,0]=2 1182 B12R2.44 O=CC1=CC2=C(C=C1)SC=N2 B36746 [0,1,0,1,0,0|0,1,1]=4 1183 B12R2.44 O=CC1=CC2=C(C=CN2)C=C1 F2138 [0,1,0,1,0,0|1,0,1]=4 1184 B12R2.44 O=CC1=CC2=C(C=CS2)C=C1 B51038 [0,1,0,1,0,0|1,0,1]=4 1185 B12R2.44 O=CC1=CC2=NON=C2C=C1 B44351 [0,1,0,1,0,0|1,0,0]=3 1186 B12R2.44 O=CC1=CC2=NSN=C2C=C1 B44380 [0,1,0,1,0,0|1,1,0]=4 1187 B12R2.44 O=CC1=NC=C2OC=CC2=C1 F39054 [0,1,0,1,0,0|1,0,1]=4 1188 B12R2.44 OCC1=CC2=C(C=C1)OCC2 D65568 [0,1,0,1,0,0|0,0,2]=4 1189 B8R1.1 CC1=CC(C=O)=CS1 M29797 [1,0,0,0,1,0|1,0,0]=3 1190 B8R1.1 CC1=CC(C=O)=NN1 M41030 [1,0,0,0,1,0|2,0,0]=4 1191 B8R1.1 CC1=CC=C(C=O)N1 M43134 [1,0,0,0,1,0|1,0,0]=3 1192 B8R1.1 CC1=CC=C(C=O)S1 M39272 [1,0,0,0,1,0|1,0,0]=3 1193 B8R1.1 CC1=CN=C(C=O)S1 M19270 [1,0,0,0,1,0|2,0,0]=4 1194 B8R1.1 CC1=COC(C=O)=C1 M13538 [1,0,0,0,1,0|1,0,0]=3 1195 B8R1.1 CC1=COC(C=O)=N1 M12937 [1,0,0,0,1,0|2,0,0]=4 1196 B8R1.1 CC1=CSC(C=O)=C1 M42959 [1,0,0,0,1,0|1,0,0]=3 1197 B8R1.1 CC1=CSC(C=O)=N1 M14992 [1,0,0,0,1,0|2,0,0]=4 1198 B8R1.1 CC1=NC(C=O)=CO1 M3278 [1,0,0,0,1,0|2,0,0]=4 1199 B8R1.1 CC1=NC(C=O)=CS1 F2075 [1,0,0,0,1,0|2,0,0]=4 1200 B8R1.1 CC1=NC=C(C=O)S1 F2897 [1,0,0,0,1,0|2,0,0]=4 1201 B8R1.1 CN1C=C(C=O)C=N1 M6127 [1,0,0,0,1,0|2,0,0]=4 1202 B8R1.1 CN1C=CC(C=O)=N1 M22764 [1,0,0,0,1,0|2,0,0]=4 1203 B8R1.1 CN1C=NC(C=O)=C1 M11287 [1,0,0,0,1,0|2,0,0]=4 1204 B8R1.1 COC1=CC(=O)CC1 M61379 [1,0,0,0,1,0|0,0,2]=4 1205 B8R1.1 COC1=CC(=O)NC1 M41169 [1,0,0,0,1,0|1,0,1]=4 1206 B8R1.1 O=CC1=CC(Br)=CN1 B38751 [1,0,0,0,1,0|2,0,0]=4 1207 B8R1.1 O=CC1=CC(Br)=CO1 B13537 [1,0,0,0,1,0|2,0,0]=4 1208 B8R1.1 O=CC1=CC(Br)=CS1 B12758 [1,0,0,0,1,0|2,0,0]=4 1209 B8R1.1 O=CC1=CC(Cl)=CN1 C14574 [1,0,0,0,1,0|2,0,0]=4 1210 B8R1.1 O=CC1=CC(Cl)=CS1 C12489 [1,0,0,0,1,0|2,0,0]=4 1211 B8R1.1 O=CC1=CC(I)=CN1 K40861 [1,0,0,0,1,0|2,0,0]=4 1212 B8R1.1 O=CC1=CC(I)=CS1 K40696 [1,0,0,0,1,0|2,0,0]=4 1213 B8R1.1 O=CC1=CC=C(Br)N1 B67724 [1,0,0,0,1,0|2,0,0]=4 1214 B8R1.1 O=CC1=CC=C(Br)O1 B67849 [1,0,0,0,1,0|2,0,0]=4 1215 B8R1.1 O=CC1=CC=C(Br)S1 B10476 [1,0,0,0,1,0|2,0,0]=4 1216 B8R1.1 O=CC1=CC=C(Cl)O1 C38278 [1,0,0,0,1,0|2,0,0]=4 1217 B8R1.1 O=CC1=CC=C(Cl)S1 C7717 [1,0,0,0,1,0|2,0,0]=4 1218 B8R1.1 O=CC1=CSC(Br)=C1 B12754 [1,0,0,0,1,0|2,0,0]=4 1219 B8R1.1 O=CC1=CSC(Cl)=C1 C1739 [1,0,0,0,1,0|2,0,0]=4 1220 B10R1.172 C#CC1=CC=CC(C=O)=C1 E50961 [0,0,0,0,1,1|1,0,1]=4 1221 B10R1.172 C#CC1=CC=CC(OC)=C1 E25312 [0,0,0,0,1,1|1,0,1]=4 1222 B10R1.172 CCC1=CC=CC(C=O)=C1 E49870 [0,0,0,0,1,1|1,0,0]=3 1223 B10R1.172 CCC1=CC=CC(C=O)=N1 E49258 [0,0,0,0,1,1|2,0,0]=4 1224 B10R1.172 CNC1=NC=CC(C=O)=N1 M64957 [0,0,0,0,1,1|2,0,0]=4 1225 B10R1.172 COC1=CC(C#N)=CC=C1 M65442 [0,0,0,0,1,1|1,0,1]=4 1226 B10R1.172 COC1=CC(C#N)=NC=C1 M9468 [0,0,0,0,1,1|1,0,1]=4 1227 B10R1.172 COC1=CC(C=O)=CN=C1 M2961 [0,0,0,0,1,1|0,0,0]=2 1228 B10R1.172 COC1=CC(C=O)=NC=C1 M38180 [0,0,0,0,1,1|0,0,0]=2 1229 B10R1.172 COC1=CC(CCl)=NC=C1 C46205 [0,0,0,0,1,1|1,0,1]=4 1230 B10R1.172 COC1=CC(CN)=CC=C1 M27985 [0,0,0,0,1,1|1,0,1]=4 1231 B10R1.172 COC1=CC(CN)=NC=C1 M36712 [0,0,0,0,1,1|1,0,1]=4 1232 B10R1.172 COC1=CC(CN)=NC=C1 M46591 [0,0,0,0,1,1|1,0,1]=4 1233 B10R1.172 COC1=CC(CO)=CC=C1 M39430 [0,0,0,0,1,1|0,0,2]=4 1234 B10R1.172 COC1=CC(CO)=NC=C1 M38100 [0,0,0,0,1,1|0,0,2]=4 1235 B10R1.172 COC1=CC(NN)=CC=C1 M69005 [0,0,0,0,1,1|2,0,0]=4 1236 B10R1.172 COC1=CC(OC)=NC=C1 D46390 [0,0,0,0,1,1|2,0,0]=4 1237 B10R1.172 COC1=CC=CC(C=O)=C1 M67838 [0,0,0,0,1,1|0,0,0]=2 1238 B10R1.172 COC1=CC=CC(C=O)=N1 M24168 [0,0,0,0,1,1|1,0,0]=3 1239 B10R1.172 COC1=CC=CC(CCl)=C1 C49452 [0,0,0,0,1,1|1,0,1]=4 1240 B10R1.172 COC1=CN=CC(C#N)=C1 M45213 [0,0,0,0,1,1|1,0,1]=4 1241 B10R1.172 COC1=CN=CC(CN)=C1 M11309 [0,0,0,0,1,1|1,0,1]=4 1242 B10R1.172 COC1=CN=CC(CO)=C1 M14136 [0,0,0,0,1,1|0,0,2]=4 1243 B10R1.172 COC1=CN=CC(OC)=C1 D28467 [0,0,0,0,1,1|2,0,0]=4 1244 B10R1.172 COC1=NC=CC(C#N)=C1 C12714 [0,0,0,0,1,1|1,0,1]=4 1245 B10R1.172 COC1=NC=CC(C=O)=C1 M3688 [0,0,0,0,1,1|0,0,0]=2 1246 B10R1.172 COC1=NC=CC(C=O)=N1 M67794 [0,0,0,0,1,1|1,0,0]=3 1247 B10R1.172 COC1=NC=CC(CN)=C1 M0578 [0,0,0,0,1,1|1,0,1]=4 1248 B10R1.172 COC1=NC=CC(CO)=C1 M0582 [0,0,0,0,1,1|0,0,2]=4 1249 B10R1.172 CSC1=NC(C=O)=CC=N1 M14445 [0,0,0,0,1,1|1,1,0]=4 1250 B10R1.172 N#CC1=CC(C=O)=CN=C1 F24986 [0,0,0,0,1,1|2,0,0]=4 1251 B10R1.172 N#CC1=CC(C=O)=NC=C1 F32149 [0,0,0,0,1,1|2,0,0]=4 1252 B10R1.172 N#CC1=CC=CC(C=O)=C1 C47711 [0,0,0,0,1,1|2,0,0]=4 1253 B10R1.172 O=CC1=CC(CO)=CC=C1 H36764 [0,0,0,0,1,1|2,0,0]=4 1254 B10R1.172 O=CC1=CC=CC(CBr)=C1 B48710 [0,0,0,0,1,1|2,0,0]=4