0 B8R1.2 BrCC1=CC=NC=C1 B36897 [0,0,0,0,0,0|2,0,0]=2 1 B8R1.2 BrCC1=CN=CC=C1 B23879 [0,0,0,0,0,0|2,0,0]=2 2 B8R1.2 BrCC1=CN=CN=C1 B36879 [0,0,0,0,0,0|3,0,0]=3 3 B8R1.2 BrCC1=NC=CC=C1 B42841 [0,0,0,0,0,0|2,0,0]=2 4 B8R1.2 BrCC1=NC=CN=C1 B36766 [0,0,0,0,0,0|3,0,0]=3 5 B8R1.2 BrCC1=NC=NC=C1 B32305 [0,0,0,0,0,0|3,0,0]=3 6 B8R1.2 BrCC1=NN=CC=C1 B36818 [0,0,0,0,0,0|3,0,0]=3 7 B8R1.2 C#CC1=CC=CN=C1 E12479 [0,0,0,0,0,0|2,0,1]=3 8 B8R1.2 C#CC1=CC=CN=N1 E7489 [0,0,0,0,0,0|3,0,1]=4 9 B8R1.2 C#CC1=CC=NC=C1 E10312 [0,0,0,0,0,0|2,0,1]=3 10 B8R1.2 C#CC1=CC=NC=C1 E23238 [0,0,0,0,0,0|2,0,1]=3 11 B8R1.2 C#CC1=CN=CN=C1 E14435 [0,0,0,0,0,0|3,0,1]=4 12 B8R1.2 C#CC1=NC=CC=C1 E12434 [0,0,0,0,0,0|2,0,1]=3 13 B8R1.2 C#CC1=NC=CC=N1 E23392 [0,0,0,0,0,0|3,0,1]=4 14 B8R1.2 C#CC1=NC=CN=C1 E14588 [0,0,0,0,0,0|3,0,1]=4 15 B8R1.2 CCC1=NC=CN=C1 E43180 [0,0,0,0,0,0|3,0,0]=3 16 B8R1.2 CNC1=CC=CN=C1 M38086 [0,0,0,0,0,0|3,0,0]=3 17 B8R1.2 CNC1=CC=NC=C1 M68620 [0,0,0,0,0,0|3,0,0]=3 18 B8R1.2 CNC1=CN=CN=C1 M29839 [0,0,0,0,0,0|4,0,0]=4 19 B8R1.2 CNC1=CN=NC=C1 M38382 [0,0,0,0,0,0|4,0,0]=4 20 B8R1.2 CNC1=NC=CN=C1 M41140 [0,0,0,0,0,0|4,0,0]=4 21 B8R1.2 COC1=CC=NC=C1 M9391 [0,0,0,0,0,0|3,0,0]=3 22 B8R1.2 COC1=CN=CC=C1 M67978 [0,0,0,0,0,0|3,0,0]=3 23 B8R1.2 COC1=CN=NC=C1 M41023 [0,0,0,0,0,0|4,0,0]=4 24 B8R1.2 COC1=NC=CC=C1 M39277 [0,0,0,0,0,0|3,0,0]=3 25 B8R1.2 COC1=NC=CN=C1 M2768 [0,0,0,0,0,0|4,0,0]=4 26 B8R1.2 COC1=NN=CC=C1 M41021 [0,0,0,0,0,0|4,0,0]=4 27 B8R1.2 CSC1=NC=CC=N1 M2492 [0,0,0,0,0,0|4,0,0]=4 28 B8R1.2 ClCC1=CC=NC=C1 C68845 [0,0,0,0,0,0|2,0,0]=2 29 B8R1.2 ClCC1=CN=CN=C1 C10228 [0,0,0,0,0,0|3,0,0]=3 30 B8R1.2 ClCC1=NC=CC=C1 C67870 [0,0,0,0,0,0|2,0,0]=2 31 B8R1.2 ClCC1=NC=CC=N1 C0153 [0,0,0,0,0,0|3,0,0]=3 32 B8R1.2 ClCC1=NC=CC=N1 C40877 [0,0,0,0,0,0|3,0,0]=3 33 B8R1.2 ClCC1=NC=CN=C1 C0149 [0,0,0,0,0,0|3,0,0]=3 34 B8R1.2 ClCC1=NC=NC=C1 C40878 [0,0,0,0,0,0|3,0,0]=3 35 B8R1.2 ClCC1=NN=CC=C1 C0156 [0,0,0,0,0,0|3,0,0]=3 36 B8R1.2 N#CC1=CN=CN=C1 P0144 [0,0,0,0,0,0|3,0,1]=4 37 B8R1.2 N#CC1=CN=NC=C1 C10224 [0,0,0,0,0,0|3,0,1]=4 38 B8R1.2 N#CC1=NC=CC=N1 C12513 [0,0,0,0,0,0|3,0,1]=4 39 B8R1.2 N#CC1=NC=CN=C1 C68117 [0,0,0,0,0,0|3,0,1]=4 40 B8R1.2 N#CC1=NC=NC=C1 C12244 [0,0,0,0,0,0|3,0,1]=4 41 B8R1.2 N#CC1=NN=CC=C1 C7488 [0,0,0,0,0,0|3,0,1]=4 42 B8R1.2 NCC1=CC=CN=C1 A69257 [0,0,0,0,0,0|2,0,0]=2 43 B8R1.2 NCC1=CC=CN=N1 A0031 [0,0,0,0,0,0|3,0,0]=3 44 B8R1.2 NCC1=CC=CN=N1 P29569 [0,0,0,0,0,0|3,0,0]=3 45 B8R1.2 NCC1=CC=NC=C1 P67743 [0,0,0,0,0,0|2,0,0]=2 46 B8R1.2 NCC1=CN=CN=C1 P0028 [0,0,0,0,0,0|3,0,0]=3 47 B8R1.2 NCC1=CN=CN=C1 P29548 [0,0,0,0,0,0|3,0,0]=3 48 B8R1.2 NCC1=CN=NC=C1 A0027 [0,0,0,0,0,0|3,0,0]=3 49 B8R1.2 NCC1=CN=NC=C1 P41350 [0,0,0,0,0,0|3,0,0]=3 50 B8R1.2 NCC1=NC=CC=N1 A7421 [0,0,0,0,0,0|3,0,0]=3 51 B8R1.2 NCC1=NC=CC=N1 P0030 [0,0,0,0,0,0|3,0,0]=3 52 B8R1.2 NCC1=NC=CN=C1 P0029 [0,0,0,0,0,0|3,0,0]=3 53 B8R1.2 NCC1=NC=CN=C1 P4303 [0,0,0,0,0,0|3,0,0]=3 54 B8R1.2 NCC1=NC=NC=C1 A0032 [0,0,0,0,0,0|3,0,0]=3 55 B8R1.2 NCC1=NC=NC=C1 A10198 [0,0,0,0,0,0|3,0,0]=3 56 B8R1.2 NCC1=NC=NC=C1 P23754 [0,0,0,0,0,0|3,0,0]=3 57 B8R1.2 NNC1=CC=CC=C1 P68696 [0,0,0,0,0,0|2,0,0]=2 58 B8R1.2 NNC1=CC=CN=C1 H0043 [0,0,0,0,0,0|3,0,0]=3 59 B8R1.2 NNC1=CC=CN=C1 H41349 [0,0,0,0,0,0|3,0,0]=3 60 B8R1.2 NNC1=CC=NC=C1 H0042 [0,0,0,0,0,0|3,0,0]=3 61 B8R1.2 NNC1=NC=CC=C1 H38511 [0,0,0,0,0,0|3,0,0]=3 62 B8R1.2 NNC1=NC=CN=C1 H0220 [0,0,0,0,0,0|4,0,0]=4 63 B8R1.2 NOC1=CC=CC=C1 P43533 [0,0,0,0,0,0|2,0,0]=2 64 B8R1.2 O=CC1=CC=NC=C1 P42598 [0,0,0,0,0,0|1,0,2]=3 65 B8R1.2 O=CC1=CN=CC=C1 P13753 [0,0,0,0,0,0|1,0,2]=3 66 B8R1.2 O=CC1=CN=CN=C1 F2817 [0,0,0,0,0,0|2,0,2]=4 67 B8R1.2 O=CC1=CN=NC=C1 P7445 [0,0,0,0,0,0|2,0,2]=4 68 B8R1.2 O=CC1=NC=CC=C1 P67836 [0,0,0,0,0,0|1,0,2]=3 69 B8R1.2 O=CC1=NC=CC=N1 P0152 [0,0,0,0,0,0|2,0,2]=4 70 B8R1.2 O=CC1=NC=CN=C1 P0148 [0,0,0,0,0,0|2,0,2]=4 71 B8R1.2 O=CC1=NC=NC=C1 P40755 [0,0,0,0,0,0|2,0,2]=4 72 B8R1.2 OCC1=CC=NC=C1 P43429 [0,0,0,0,0,0|1,0,0]=1 73 B8R1.2 OCC1=CC=NC=C1 P67894 [0,0,0,0,0,0|1,0,0]=1 74 B8R1.2 OCC1=CN=CC=C1 P15946 [0,0,0,0,0,0|1,0,0]=1 75 B8R1.2 OCC1=CN=CN=C1 P0145 [0,0,0,0,0,0|2,0,0]=2 76 B8R1.2 OCC1=NC=CC=C1 P69303 [0,0,0,0,0,0|1,0,0]=1 77 B8R1.2 OCC1=NC=CC=N1 P0151 [0,0,0,0,0,0|2,0,0]=2 78 B8R1.2 OCC1=NC=CN=C1 P0147 [0,0,0,0,0,0|2,0,0]=2 79 B8R1.2 OCC1=NC=NC=C1 P0160 [0,0,0,0,0,0|2,0,0]=2 80 B8R1.2 OCC1=NN=CC=C1 P0155 [0,0,0,0,0,0|2,0,0]=2 81 B8R1.2 OC[C@@H]1CC=CCC1 C43800 [0,0,0,0,0,0|0,0,4]=4 82 B8R1.2 ONC1=CC=CC=C1 P67873 [0,0,0,0,0,0|1,0,0]=1 83 B7R1.3 BrC1=CC=NC=C1 B2747 [1,0,0,0,0,0|2,0,0]=3 84 B7R1.3 BrC1=CC=NC=C1 B65041 [1,0,0,0,0,0|2,0,0]=3 85 B7R1.3 BrC1=CN=CC=C1 B2746 [1,0,0,0,0,0|2,0,0]=3 86 B7R1.3 BrC1=CN=CN=C1 B2363 [1,0,0,0,0,0|3,0,0]=4 87 B7R1.3 BrC1=NC=CC=N1 B2474 [1,0,0,0,0,0|3,0,0]=4 88 B7R1.3 BrC1=NC=CN=C1 B40020 [1,0,0,0,0,0|3,0,0]=4 89 B7R1.3 BrC1=NC=NC=C1 B62457 [1,0,0,0,0,0|3,0,0]=4 90 B7R1.3 BrC1=NN=CC=C1 B26087 [1,0,0,0,0,0|3,0,0]=4 91 B7R1.3 CC1=CC=CN=N1 M0216 [1,0,0,0,0,0|2,0,0]=3 92 B7R1.3 CC1=CN=CN=C1 M41018 [1,0,0,0,0,0|2,0,0]=3 93 B7R1.3 CC1=CN=NC=C1 M3532 [1,0,0,0,0,0|2,0,0]=3 94 B7R1.3 CC1=NC=CC=N1 M68916 [1,0,0,0,0,0|2,0,0]=3 95 B7R1.3 CC1=NC=CN=C1 M61917 [1,0,0,0,0,0|2,0,0]=3 96 B7R1.3 CC1=NC=CN=N1 M36785 [1,0,0,0,0,0|3,0,0]=4 97 B7R1.3 CC1=NC=NC=C1 M7491 [1,0,0,0,0,0|2,0,0]=3 98 B7R1.3 C[N+]1=CC=CC=C1 M38728 [1,0,0,0,0,0|1,0,0]=2 99 B7R1.3 ClC1=CC=NC=C1 C39170 [1,0,0,0,0,0|2,0,0]=3 100 B7R1.3 ClC1=CN=CC=C1 C68367 [1,0,0,0,0,0|2,0,0]=3 101 B7R1.3 ClC1=CN=CN=C1 C40022 [1,0,0,0,0,0|3,0,0]=4 102 B7R1.3 ClC1=CN=NC=C1 C37590 [1,0,0,0,0,0|3,0,0]=4 103 B7R1.3 ClC1=NC=CN=C1 C5165 [1,0,0,0,0,0|3,0,0]=4 104 B7R1.3 ClC1=NC=NC=C1 C0425 [1,0,0,0,0,0|3,0,0]=4 105 B7R1.3 ClC1=NN=CC=C1 C7487 [1,0,0,0,0,0|3,0,0]=4 106 B7R1.3 FC1=CC=NC=C1 F2970 [1,0,0,0,0,0|2,0,0]=3 107 B7R1.3 FC1=CN=CC=C1 F1892 [1,0,0,0,0,0|2,0,0]=3 108 B7R1.3 FC1=NC=CC=C1 F4862 [1,0,0,0,0,0|2,0,0]=3 109 B7R1.3 FC1=NC=CC=N1 F69151 [1,0,0,0,0,0|3,0,0]=4 110 B7R1.3 FC1=NC=CN=C1 F40023 [1,0,0,0,0,0|3,0,0]=4 111 B7R1.3 IC1=CC=CC=C1 I38419 [1,0,0,0,0,0|1,0,0]=2 112 B7R1.3 IC1=CC=NC=C1 I3870 [1,0,0,0,0,0|2,0,0]=3 113 B7R1.3 IC1=CN=CC=C1 I16635 [1,0,0,0,0,0|2,0,0]=3 114 B7R1.3 IC1=CN=CN=C1 K22993 [1,0,0,0,0,0|3,0,0]=4 115 B7R1.3 IC1=NC=CC=C1 K67594 [1,0,0,0,0,0|2,0,0]=3 116 B7R1.3 IC1=NC=CC=N1 K40026 [1,0,0,0,0,0|3,0,0]=4 117 B7R1.3 IC1=NC=CN=C1 I2669 [1,0,0,0,0,0|3,0,0]=4 118 B7R1.3 NC1=CC=CN=N1 A6039 [1,0,0,0,0,0|3,0,0]=4 119 B7R1.3 NC1=CN=CN=C1 A5265 [1,0,0,0,0,0|3,0,0]=4 120 B7R1.3 NC1=CN=NC=C1 A3533 [1,0,0,0,0,0|3,0,0]=4 121 B7R1.3 NC1=CN=NC=C1 A7237 [1,0,0,0,0,0|3,0,0]=4 122 B7R1.3 NC1=NC=CC=C1 A23973 [1,0,0,0,0,0|2,0,0]=3 123 B7R1.3 NC1=NC=CN=C1 A15535 [1,0,0,0,0,0|3,0,0]=4 124 B7R1.3 NC1=NC=NC=C1 A12258 [1,0,0,0,0,0|3,0,0]=4 125 B7R1.3 O=C1C=CC=NN1 P5932 [1,0,0,0,0,0|2,0,1]=4 126 B7R1.3 O=C1C=CN=CN1 P0246 [1,0,0,0,0,0|2,0,1]=4 127 B7R1.3 O=C1C=COC=C1 P40862 [1,0,0,0,0,0|1,0,1]=3 128 B7R1.3 O=C1C=NC=CN1 H68630 [1,0,0,0,0,0|2,0,1]=4 129 B7R1.3 O=C1N=CC=CN1 P67458 [1,0,0,0,0,0|2,0,1]=4 130 B7R1.3 OC1=CC=NC=C1 H10331 [1,0,0,0,0,0|1,0,0]=2 131 B7R1.3 OC1=CN=CN=C1 H14432 [1,0,0,0,0,0|2,0,0]=3 132 B7R1.3 OC1=CN=NC=C1 H22270 [1,0,0,0,0,0|2,0,0]=3 133 B7R1.3 OC1=CN=NC=C1 P40299 [1,0,0,0,0,0|2,0,0]=3 134 B7R1.3 OC1=NC=CC=C1 P61113 [1,0,0,0,0,0|1,0,0]=2 135 B7R1.3 OC1=NC=NC=C1 P32223 [1,0,0,0,0,0|2,0,0]=3 136 B7R1.3 S=C1C=CN=CN1 P40081 [1,0,0,0,0,0|2,1,0]=4 137 B7R1.3 S=C1N=CC=CN1 P61565 [1,0,0,0,0,0|2,1,0]=4 138 B7R1.3 [Mg+]C1=CC=CC=C1 P31728 [1,0,0,0,0,0|1,0,0]=2 139 B7R1.3 [Mg+]C1=CN=CC=C1 P8350 [1,0,0,0,0,0|2,0,0]=3 140 B7R1.3 [Mg+]C1=NC=CC=C1 P8351 [1,0,0,0,0,0|2,0,0]=3 141 B9R1.1 BrCC1=CC=C(I)C=C1 B45171 [0,1,0,0,0,0|1,0,0]=2 142 B9R1.1 BrCC1=NC=C(Br)C=C1 B42521 [0,1,0,0,0,0|2,0,0]=3 143 B9R1.1 BrCC1=NC=C(Br)C=N1 B37593 [0,1,0,0,0,0|3,0,0]=4 144 B9R1.1 BrCC1=NN=C(Br)C=C1 B36805 [0,1,0,0,0,0|3,0,0]=4 145 B9R1.1 C#CC1=CC=C(Br)C=C1 B47528 [0,1,0,0,0,0|1,0,1]=3 146 B9R1.1 C#CC1=CC=C(C)C=C1 E68609 [0,1,0,0,0,0|1,0,1]=3 147 B9R1.1 C#CC1=CC=C(Cl)C=C1 C4938 [0,1,0,0,0,0|1,0,1]=3 148 B9R1.1 C#CC1=CC=C(F)C=C1 F2891 [0,1,0,0,0,0|1,0,1]=3 149 B9R1.1 C#CC1=CC=C(N)C=C1 E37919 [0,1,0,0,0,0|1,0,1]=3 150 B9R1.1 C#CC1=CN=C(Cl)C=C1 C38156 [0,1,0,0,0,0|2,0,1]=4 151 B9R1.1 C#CC1=CN=C(F)C=C1 E44436 [0,1,0,0,0,0|2,0,1]=4 152 B9R1.1 C#CC1=CN=C(N)C=C1 E36917 [0,1,0,0,0,0|2,0,1]=4 153 B9R1.1 C#CC1=CNC(=O)C=C1 E32387 [0,1,0,0,0,0|2,0,1]=4 154 B9R1.1 C#CC1=NC=C(Br)C=C1 B44410 [0,1,0,0,0,0|2,0,1]=4 155 B9R1.1 C#CC1=NC=C(Cl)C=C1 C44424 [0,1,0,0,0,0|2,0,1]=4 156 B9R1.1 C#CC1=NC=C(F)C=C1 E60834 [0,1,0,0,0,0|2,0,1]=4 157 B9R1.1 C#CC1=NC=C(N)C=C1 E45201 [0,1,0,0,0,0|2,0,1]=4 158 B9R1.1 C=CC1=CC=C(Br)C=C1 B68124 [0,1,0,0,0,0|1,0,1]=3 159 B9R1.1 C=CC1=CC=C(O)C=C1 V67697 [0,1,0,0,0,0|1,0,1]=3 160 B9R1.1 C=CC1=CN=C(C)C=C1 M11564 [0,1,0,0,0,0|2,0,1]=4 161 B9R1.1 C=CC1=CN=C(F)C=C1 E16703 [0,1,0,0,0,0|2,0,1]=4 162 B9R1.1 CC1=CC=C(C=O)C=C1 M68600 [0,1,0,0,0,0|0,0,2]=3 163 B9R1.1 CC1=CC=C(CN)C=C1 M69544 [0,1,0,0,0,0|1,0,0]=2 164 B9R1.1 CC1=CC=C(CN)N=N1 M0158 [0,1,0,0,0,0|3,0,0]=4 165 B9R1.1 CC1=CC=C(CN)N=N1 M27037 [0,1,0,0,0,0|3,0,0]=4 166 B9R1.1 CC1=CC=C(CO)C=C1 T37852 [0,1,0,0,0,0|0,0,0]=1 167 B9R1.1 CC1=CC=C(NN)C=C1 T68855 [0,1,0,0,0,0|2,0,0]=3 168 B9R1.1 CC1=CN=C(C#N)C=C1 C4792 [0,1,0,0,0,0|2,0,1]=4 169 B9R1.1 CC1=CN=C(C=O)C=C1 M3063 [0,1,0,0,0,0|1,0,2]=4 170 B9R1.1 CC1=CN=C(CCl)C=C1 C46107 [0,1,0,0,0,0|2,0,0]=3 171 B9R1.1 CC1=CN=C(CCl)C=N1 C11548 [0,1,0,0,0,0|3,0,0]=4 172 B9R1.1 CC1=CN=C(CCl)C=N1 C43004 [0,1,0,0,0,0|3,0,0]=4 173 B9R1.1 CC1=CN=C(CCl)N=C1 C14428 [0,1,0,0,0,0|3,0,0]=4 174 B9R1.1 CC1=CN=C(CCl)N=C1 C8015 [0,1,0,0,0,0|3,0,0]=4 175 B9R1.1 CC1=CN=C(CN)C=C1 M43622 [0,1,0,0,0,0|2,0,0]=3 176 B9R1.1 CC1=CN=C(CN)C=C1 M46461 [0,1,0,0,0,0|2,0,0]=3 177 B9R1.1 CC1=CN=C(CN)C=N1 A3139 [0,1,0,0,0,0|3,0,0]=4 178 B9R1.1 CC1=CN=C(CN)N=C1 M11333 [0,1,0,0,0,0|3,0,0]=4 179 B9R1.1 CC1=CN=C(CO)C=N1 M43210 [0,1,0,0,0,0|2,0,0]=3 180 B9R1.1 CC1=CN=C(CO)N=C1 H11473 [0,1,0,0,0,0|2,0,0]=3 181 B9R1.1 CC1=CN=C(NN)C=C1 H63578 [0,1,0,0,0,0|3,0,0]=4 182 B9R1.1 CC1=NC=C(C#N)C=C1 M12704 [0,1,0,0,0,0|2,0,1]=4 183 B9R1.1 CC1=NC=C(C=O)C=C1 M0419 [0,1,0,0,0,0|1,0,2]=4 184 B9R1.1 CC1=NC=C(CBr)C=C1 B46089 [0,1,0,0,0,0|2,0,0]=3 185 B9R1.1 CC1=NC=C(CBr)C=N1 B42978 [0,1,0,0,0,0|3,0,0]=4 186 B9R1.1 CC1=NC=C(CCl)C=C1 C46111 [0,1,0,0,0,0|2,0,0]=3 187 B9R1.1 CC1=NC=C(CCl)C=N1 C19650 [0,1,0,0,0,0|3,0,0]=4 188 B9R1.1 CC1=NC=C(CN)C=C1 M0572 [0,1,0,0,0,0|2,0,0]=3 189 B9R1.1 CC1=NC=C(CN)C=N1 A1723 [0,1,0,0,0,0|3,0,0]=4 190 B9R1.1 CC1=NC=C(CO)C=C1 M15722 [0,1,0,0,0,0|1,0,0]=2 191 B9R1.1 CC1=NC=C(CO)C=N1 H12381 [0,1,0,0,0,0|2,0,0]=3 192 B9R1.1 CC1=NC=C(NN)C=C1 H14024 [0,1,0,0,0,0|3,0,0]=4 193 B9R1.1 CCC1=CC=C(Br)C=C1 B68945 [0,1,0,0,0,0|1,0,0]=2 194 B9R1.1 CCC1=CC=C(Cl)C=C1 C49160 [0,1,0,0,0,0|1,0,0]=2 195 B9R1.1 CCC1=CC=C(I)C=C1 E49167 [0,1,0,0,0,0|1,0,0]=2 196 B9R1.1 CCC1=CC=C([Mg+])C=C1 E31741 [0,1,0,0,0,0|1,0,0]=2 197 B9R1.1 CCC1=CN=C(Cl)C=C1 C26331 [0,1,0,0,0,0|2,0,0]=3 198 B9R1.1 CCC1=CN=C(Cl)N=C1 E11897 [0,1,0,0,0,0|3,0,0]=4 199 B9R1.1 CCC1=CN=C(N)C=C1 E43600 [0,1,0,0,0,0|2,0,0]=3 200 B9R1.1 CCC1=CN=C(N)N=C1 E28664 [0,1,0,0,0,0|3,0,0]=4 201 B9R1.1 CCC1=NC=C(Br)C=C1 B1614 [0,1,0,0,0,0|2,0,0]=3 202 B9R1.1 CCC1=NC=C(Br)C=N1 B36933 [0,1,0,0,0,0|3,0,0]=4 203 B9R1.1 CCC1=NC=C(Cl)C=C1 C46096 [0,1,0,0,0,0|2,0,0]=3 204 B9R1.1 CCC1=NC=C(N)C=C1 E43602 [0,1,0,0,0,0|2,0,0]=3 205 B9R1.1 CCC1=NC=C(N)C=N1 A11320 [0,1,0,0,0,0|3,0,0]=4 206 B9R1.1 CNC1=CC=C(Br)C=C1 B61266 [0,1,0,0,0,0|2,0,0]=3 207 B9R1.1 CNC1=CC=C(C)C=C1 D39432 [0,1,0,0,0,0|2,0,0]=3 208 B9R1.1 CNC1=CC=C(I)C=C1 K46120 [0,1,0,0,0,0|2,0,0]=3 209 B9R1.1 CNC1=CC=C(N)C=C1 M69627 [0,1,0,0,0,0|2,0,0]=3 210 B9R1.1 CNC1=CN=C(C)C=C1 D43616 [0,1,0,0,0,0|3,0,0]=4 211 B9R1.1 CNC1=NC=C(Br)C=C1 B42975 [0,1,0,0,0,0|3,0,0]=4 212 B9R1.1 CNC1=NC=C(C)C=C1 D43614 [0,1,0,0,0,0|3,0,0]=4 213 B9R1.1 CNC1=NC=C(F)C=C1 F32100 [0,1,0,0,0,0|3,0,0]=4 214 B9R1.1 CNC1=NC=C(N)C=C1 M43342 [0,1,0,0,0,0|3,0,0]=4 215 B9R1.1 CNC1=NC=C(N)C=C1 M43545 [0,1,0,0,0,0|3,0,0]=4 216 B9R1.1 COC1=CC=C(S)C=C1 M46276 [0,1,0,0,0,0|2,0,0]=3 217 B9R1.1 COC1=CC=C([Mg+])C=C1 M31744 [0,1,0,0,0,0|2,0,0]=3 218 B9R1.1 COC1=CN=C(Br)C=C1 B5045 [0,1,0,0,0,0|3,0,0]=4 219 B9R1.1 COC1=CN=C(Cl)C=C1 C19386 [0,1,0,0,0,0|3,0,0]=4 220 B9R1.1 COC1=CN=C(F)C=C1 F42925 [0,1,0,0,0,0|3,0,0]=4 221 B9R1.1 COC1=CN=C(I)C=C1 I5931 [0,1,0,0,0,0|3,0,0]=4 222 B9R1.1 COC1=CN=C(N)C=C1 A10497 [0,1,0,0,0,0|3,0,0]=4 223 B9R1.1 COC1=NC=C(Br)C=C1 B9550 [0,1,0,0,0,0|3,0,0]=4 224 B9R1.1 COC1=NC=C(C)C=C1 M67554 [0,1,0,0,0,0|3,0,0]=4 225 B9R1.1 COC1=NC=C(Cl)C=C1 C42903 [0,1,0,0,0,0|3,0,0]=4 226 B9R1.1 COC1=NC=C(F)C=C1 F24011 [0,1,0,0,0,0|3,0,0]=4 227 B9R1.1 COC1=NC=C(I)C=C1 K42935 [0,1,0,0,0,0|3,0,0]=4 228 B9R1.1 COC1=NC=C(N)C=C1 A12692 [0,1,0,0,0,0|3,0,0]=4 229 B9R1.1 COC1=NC=C(O)C=C1 H43140 [0,1,0,0,0,0|3,0,0]=4 230 B9R1.1 CSC1=CC=C(I)C=C1 I38579 [0,1,0,0,0,0|2,0,0]=3 231 B9R1.1 CSC1=CC=C(O)C=C1 M67393 [0,1,0,0,0,0|2,0,0]=3 232 B9R1.1 CSC1=CC=C([Mg+])C=C1 M31771 [0,1,0,0,0,0|2,0,0]=3 233 B9R1.1 CSC1=CN=C(N)C=C1 A43262 [0,1,0,0,0,0|3,0,0]=4 234 B9R1.1 CSC1=NC=C(Br)C=C1 B2646 [0,1,0,0,0,0|3,0,0]=4 235 B9R1.1 ClC1=CC=C(CBr)C=C1 B45158 [0,1,0,0,0,0|1,0,0]=2 236 B9R1.1 ClC1=CN=C(CBr)C=C1 B42537 [0,1,0,0,0,0|2,0,0]=3 237 B9R1.1 ClCC1=CC=C(Br)C=C1 B45160 [0,1,0,0,0,0|1,0,0]=2 238 B9R1.1 ClCC1=CN=C(Br)C=C1 B42528 [0,1,0,0,0,0|2,0,0]=3 239 B9R1.1 ClCC1=CN=C(Br)C=C1 B42539 [0,1,0,0,0,0|2,0,0]=3 240 B9R1.1 ClCC1=CN=C(Cl)C=N1 C40730 [0,1,0,0,0,0|3,0,0]=4 241 B9R1.1 ClCC1=CN=C(Cl)N=C1 C11483 [0,1,0,0,0,0|3,0,0]=4 242 B9R1.1 ClCC1=NC=C(Br)C=C1 B42540 [0,1,0,0,0,0|2,0,0]=3 243 B9R1.1 ClCC1=NC=C(Br)C=C1 B61533 [0,1,0,0,0,0|2,0,0]=3 244 B9R1.1 ClCC1=NC=C(Br)C=N1 B14442 [0,1,0,0,0,0|3,0,0]=4 245 B9R1.1 ClCC1=NC=C(Cl)C=C1 C14676 [0,1,0,0,0,0|2,0,0]=3 246 B9R1.1 ClCC1=NC=C(Cl)C=C1 C42565 [0,1,0,0,0,0|2,0,0]=3 247 B9R1.1 ClCC1=NC=C(Cl)C=N1 C14440 [0,1,0,0,0,0|3,0,0]=4 248 B9R1.1 ClCC1=NN=C(Cl)C=C1 C14685 [0,1,0,0,0,0|3,0,0]=4 249 B9R1.1 ClCC1=NN=C(Cl)C=C1 C40731 [0,1,0,0,0,0|3,0,0]=4 250 B9R1.1 FC1=CC=C(C[Mg+])C=C1 F6777 [0,1,0,0,0,0|1,0,0]=2 251 B9R1.1 FC1=CN=C(CCl)N=C1 C31600 [0,1,0,0,0,0|3,0,0]=4 252 B9R1.1 FC1=NC=C(CBr)C=C1 B39061 [0,1,0,0,0,0|2,0,0]=3 253 B9R1.1 FC1=NC=C(CBr)C=C1 B7888 [0,1,0,0,0,0|2,0,0]=3 254 B9R1.1 FC1=NC=C(CCl)C=C1 C7887 [0,1,0,0,0,0|2,0,0]=3 255 B9R1.1 N#CC1=CC=C(Br)C=C1 B67636 [0,1,0,0,0,0|1,0,1]=3 256 B9R1.1 N#CC1=CC=C(Cl)C=C1 C37848 [0,1,0,0,0,0|1,0,1]=3 257 B9R1.1 N#CC1=CC=C(F)C=C1 F64969 [0,1,0,0,0,0|1,0,1]=3 258 B9R1.1 N#CC1=CC=C(I)C=C1 K44443 [0,1,0,0,0,0|1,0,1]=3 259 B9R1.1 N#CC1=CC=C(N)C=C1 A64955 [0,1,0,0,0,0|1,0,1]=3 260 B9R1.1 N#CC1=CC=C(O)C=C1 C64941 [0,1,0,0,0,0|1,0,1]=3 261 B9R1.1 N#CC1=CC=C(S)C=C1 M64870 [0,1,0,0,0,0|1,0,1]=3 262 B9R1.1 N#CC1=CN=C(Br)C=C1 B41817 [0,1,0,0,0,0|2,0,1]=4 263 B9R1.1 N#CC1=CN=C(Cl)C=C1 C4495 [0,1,0,0,0,0|2,0,1]=4 264 B9R1.1 N#CC1=CN=C(F)C=C1 F13172 [0,1,0,0,0,0|2,0,1]=4 265 B9R1.1 N#CC1=CN=C(N)C=C1 A0556 [0,1,0,0,0,0|2,0,1]=4 266 B9R1.1 N#CC1=CN=C(O)C=C1 H42087 [0,1,0,0,0,0|2,0,1]=4 267 B9R1.1 N#CC1=CNC(=O)C=C1 H12267 [0,1,0,0,0,0|2,0,1]=4 268 B9R1.1 N#CC1=NC=C(Br)C=C1 B4492 [0,1,0,0,0,0|2,0,1]=4 269 B9R1.1 N#CC1=NC=C(Cl)C=C1 C27293 [0,1,0,0,0,0|2,0,1]=4 270 B9R1.1 N#CC1=NC=C(F)C=C1 C38463 [0,1,0,0,0,0|2,0,1]=4 271 B9R1.1 N#CC1=NC=C(I)C=C1 C3011 [0,1,0,0,0,0|2,0,1]=4 272 B9R1.1 N#CC1=NC=C(N)C=C1 A12780 [0,1,0,0,0,0|2,0,1]=4 273 B9R1.1 N#CC1=NC=C(O)C=C1 C7985 [0,1,0,0,0,0|2,0,1]=4 274 B9R1.1 NC1=CC=C(CO)C=C1 A36619 [0,1,0,0,0,0|0,0,0]=1 275 B9R1.1 NC1=NC=C(C=O)C=C1 A12393 [0,1,0,0,0,0|1,0,2]=4 276 B9R1.1 NC1=NC=C(C=O)C=C1 A43519 [0,1,0,0,0,0|1,0,2]=4 277 B9R1.1 NC1=NC=C(CO)C=C1 A0345 [0,1,0,0,0,0|1,0,0]=2 278 B9R1.1 NC1=NC=C(CO)C=N1 A11298 [0,1,0,0,0,0|2,0,0]=3 279 B9R1.1 NCC1=CC=C(Br)C=C1 B36612 [0,1,0,0,0,0|1,0,0]=2 280 B9R1.1 NCC1=CC=C(Br)C=C1 B46090 [0,1,0,0,0,0|1,0,0]=2 281 B9R1.1 NCC1=CC=C(Cl)C=C1 C46099 [0,1,0,0,0,0|1,0,0]=2 282 B9R1.1 NCC1=CC=C(I)C=C1 I36689 [0,1,0,0,0,0|1,0,0]=2 283 B9R1.1 NCC1=CC=C(I)C=C1 K46123 [0,1,0,0,0,0|1,0,0]=2 284 B9R1.1 NCC1=CC=C(N)C=C1 A46581 [0,1,0,0,0,0|1,0,0]=2 285 B9R1.1 NCC1=CC=C(O)C=C1 A67587 [0,1,0,0,0,0|1,0,0]=2 286 B9R1.1 NCC1=CN=C(Br)C=C1 B42976 [0,1,0,0,0,0|2,0,0]=3 287 B9R1.1 NCC1=CN=C(Cl)C=C1 A0585 [0,1,0,0,0,0|2,0,0]=3 288 B9R1.1 NCC1=CN=C(Cl)N=C1 C7926 [0,1,0,0,0,0|3,0,0]=4 289 B9R1.1 NCC1=CN=C(F)C=C1 A13990 [0,1,0,0,0,0|2,0,0]=3 290 B9R1.1 NCC1=CNC(=O)C=C1 A1719 [0,1,0,0,0,0|2,0,0]=3 291 B9R1.1 NCC1=NC=C(Br)C=C1 B15775 [0,1,0,0,0,0|2,0,0]=3 292 B9R1.1 NCC1=NC=C(Br)C=C1 B42983 [0,1,0,0,0,0|2,0,0]=3 293 B9R1.1 NCC1=NC=C(Br)C=C1 B7021 [0,1,0,0,0,0|2,0,0]=3 294 B9R1.1 NCC1=NC=C(Br)C=N1 B11273 [0,1,0,0,0,0|3,0,0]=4 295 B9R1.1 NCC1=NC=C(Br)C=N1 B29572 [0,1,0,0,0,0|3,0,0]=4 296 B9R1.1 NCC1=NC=C(Br)C=N1 B41070 [0,1,0,0,0,0|3,0,0]=4 297 B9R1.1 NCC1=NC=C(Cl)C=C1 C43002 [0,1,0,0,0,0|2,0,0]=3 298 B9R1.1 NCC1=NC=C(Cl)C=C1 C43003 [0,1,0,0,0,0|2,0,0]=3 299 B9R1.1 NCC1=NC=C(F)C=N1 F14038 [0,1,0,0,0,0|3,0,0]=4 300 B9R1.1 NCC1=NC=C(F)C=N1 F29609 [0,1,0,0,0,0|3,0,0]=4 301 B9R1.1 NCC1=NC=C(N)C=C1 A36932 [0,1,0,0,0,0|2,0,0]=3 302 B9R1.1 NCC1=NN=C(Cl)C=C1 C36937 [0,1,0,0,0,0|3,0,0]=4 303 B9R1.1 NNC1=CC=C(Br)C=C1 B42962 [0,1,0,0,0,0|2,0,0]=3 304 B9R1.1 NNC1=CC=C(Br)C=C1 B42980 [0,1,0,0,0,0|2,0,0]=3 305 B9R1.1 NNC1=CC=C(Cl)C=C1 C61981 [0,1,0,0,0,0|2,0,0]=3 306 B9R1.1 NNC1=CC=C(Cl)C=C1 C68982 [0,1,0,0,0,0|2,0,0]=3 307 B9R1.1 NNC1=CC=C(F)C=C1 F25536 [0,1,0,0,0,0|2,0,0]=3 308 B9R1.1 NNC1=CC=C(I)C=C1 K43029 [0,1,0,0,0,0|2,0,0]=3 309 B9R1.1 NNC1=CN=C(Cl)C=C1 C41073 [0,1,0,0,0,0|3,0,0]=4 310 B9R1.1 NNC1=NC=C(Br)C=C1 B41060 [0,1,0,0,0,0|3,0,0]=4 311 B9R1.1 NNC1=NC=C(Cl)C=C1 C41075 [0,1,0,0,0,0|3,0,0]=4 312 B9R1.1 NNC1=NC=C(F)C=C1 F41395 [0,1,0,0,0,0|3,0,0]=4 313 B9R1.1 O=C1C=CC(CO)=CN1 H37111 [0,1,0,0,0,0|1,0,0]=2 314 B9R1.1 O=CC1=CC=C(Br)C=C1 B67400 [0,1,0,0,0,0|0,0,2]=3 315 B9R1.1 O=CC1=CC=C(Cl)C=C1 C37300 [0,1,0,0,0,0|0,0,2]=3 316 B9R1.1 O=CC1=CC=C(F)C=C1 F4631 [0,1,0,0,0,0|0,0,2]=3 317 B9R1.1 O=CC1=CC=C(I)C=C1 K20170 [0,1,0,0,0,0|0,0,2]=3 318 B9R1.1 O=CC1=CN=C(Br)C=C1 B2834 [0,1,0,0,0,0|1,0,2]=4 319 B9R1.1 O=CC1=CN=C(Cl)C=C1 C3215 [0,1,0,0,0,0|1,0,2]=4 320 B9R1.1 O=CC1=CN=C(F)C=C1 F13991 [0,1,0,0,0,0|1,0,2]=4 321 B9R1.1 O=CC1=CNC(=O)C=C1 X42601 [0,1,0,0,0,0|1,0,2]=4 322 B9R1.1 O=CC1=NC=C(Br)C=C1 B1678 [0,1,0,0,0,0|1,0,2]=4 323 B9R1.1 O=CC1=NC=C(Cl)C=C1 C5623 [0,1,0,0,0,0|1,0,2]=4 324 B9R1.1 O=CC1=NC=C(O)C=C1 H36846 [0,1,0,0,0,0|1,0,2]=4 325 B9R1.1 OCC1=CC=C(Br)C=C1 B67585 [0,1,0,0,0,0|0,0,0]=1 326 B9R1.1 OCC1=CC=C(Cl)C=C1 C39406 [0,1,0,0,0,0|0,0,0]=1 327 B9R1.1 OCC1=CC=C(F)C=C1 F39409 [0,1,0,0,0,0|0,0,0]=1 328 B9R1.1 OCC1=CC=C(I)C=C1 I36662 [0,1,0,0,0,0|0,0,0]=1 329 B9R1.1 OCC1=CN=C(Br)C=C1 B12392 [0,1,0,0,0,0|1,0,0]=2 330 B9R1.1 OCC1=CN=C(Cl)C=C1 C9389 [0,1,0,0,0,0|1,0,0]=2 331 B9R1.1 OCC1=CN=C(Cl)C=N1 C1534 [0,1,0,0,0,0|2,0,0]=3 332 B9R1.1 OCC1=CN=C(Cl)N=C1 C1532 [0,1,0,0,0,0|2,0,0]=3 333 B9R1.1 OCC1=CN=C(F)C=C1 F13989 [0,1,0,0,0,0|1,0,0]=2 334 B9R1.1 OCC1=NC=C(Br)C=C1 B3203 [0,1,0,0,0,0|1,0,0]=2 335 B9R1.1 OCC1=NC=C(Br)C=N1 B14040 [0,1,0,0,0,0|2,0,0]=3 336 B9R1.1 OCC1=NC=C(Cl)C=C1 C22297 [0,1,0,0,0,0|1,0,0]=2 337 B9R1.1 OCC1=NC=C(Cl)C=N1 C14437 [0,1,0,0,0,0|2,0,0]=3 338 B9R1.1 OCC1=NC=C(F)C=C1 F0644 [0,1,0,0,0,0|1,0,0]=2 339 B9R1.1 OCC1=NC=C(F)C=N1 F11272 [0,1,0,0,0,0|2,0,0]=3 340 B9R1.1 OCC1=NN=C(Cl)C=C1 C14684 [0,1,0,0,0,0|2,0,0]=3 341 B9R1.2 BrCC1=CC(Br)=NC=C1 B36914 [0,1,0,0,0,0|2,0,0]=3 342 B9R1.2 BrCC1=CC(Br)=NC=C1 B42520 [0,1,0,0,0,0|2,0,0]=3 343 B9R1.2 BrCC1=CC=CC(Br)=C1 B39369 [0,1,0,0,0,0|1,0,0]=2 344 B9R1.2 BrCC1=CC=CC(Br)=N1 B42519 [0,1,0,0,0,0|2,0,0]=3 345 B9R1.2 BrCC1=CC=CC(I)=C1 B45170 [0,1,0,0,0,0|1,0,0]=2 346 B9R1.2 C#CC1=CC(=O)NC=C1 E44924 [0,1,0,0,0,0|2,0,1]=4 347 B9R1.2 C#CC1=CC(C)=CC=C1 E51331 [0,1,0,0,0,0|1,0,1]=3 348 B9R1.2 C#CC1=CC(Cl)=CN=C1 C44423 [0,1,0,0,0,0|2,0,1]=4 349 B9R1.2 C#CC1=CC(Cl)=NC=C1 C44422 [0,1,0,0,0,0|2,0,1]=4 350 B9R1.2 C#CC1=CC(N)=NC=C1 E16539 [0,1,0,0,0,0|2,0,1]=4 351 B9R1.2 C#CC1=CC=CC(Br)=C1 B47527 [0,1,0,0,0,0|1,0,1]=3 352 B9R1.2 C#CC1=CC=CC(Cl)=C1 C25303 [0,1,0,0,0,0|1,0,1]=3 353 B9R1.2 C#CC1=CC=CC(F)=C1 F47538 [0,1,0,0,0,0|1,0,1]=3 354 B9R1.2 C#CC1=CC=CC(F)=N1 E32331 [0,1,0,0,0,0|2,0,1]=4 355 B9R1.2 C#CC1=CC=CC(N)=C1 E48307 [0,1,0,0,0,0|1,0,1]=3 356 B9R1.2 C#CC1=CC=CC(N)=C1 E49598 [0,1,0,0,0,0|1,0,1]=3 357 B9R1.2 C#CC1=CC=CC(O)=C1 E37627 [0,1,0,0,0,0|1,0,1]=3 358 B9R1.2 C#CC1=CN=CC(N)=C1 E45200 [0,1,0,0,0,0|2,0,1]=4 359 B9R1.2 C#CC1=NC(C)=CC=C1 E13754 [0,1,0,0,0,0|2,0,1]=4 360 B9R1.2 C#CC1=NC=CC(N)=C1 E45197 [0,1,0,0,0,0|2,0,1]=4 361 B9R1.2 C=CC1=CC(Br)=CN=C1 B38372 [0,1,0,0,0,0|2,0,1]=4 362 B9R1.2 C=CC1=CC(F)=CN=C1 E16704 [0,1,0,0,0,0|2,0,1]=4 363 B9R1.2 C=CC1=CC=CC(Br)=C1 B36635 [0,1,0,0,0,0|1,0,1]=3 364 B9R1.2 C=CC1=CC=CC(N)=C1 V49171 [0,1,0,0,0,0|1,0,1]=3 365 B9R1.2 C=CC1=NC(C)=CC=C1 M16640 [0,1,0,0,0,0|2,0,1]=4 366 B9R1.2 C=CC1=NC=CC(Br)=C1 B36792 [0,1,0,0,0,0|2,0,1]=4 367 B9R1.2 C=CC1=NC=CC(Cl)=C1 C45320 [0,1,0,0,0,0|2,0,1]=4 368 B9R1.2 C=CC1=NC=CC(N)=C1 V45970 [0,1,0,0,0,0|2,0,1]=4 369 B9R1.2 CC1=CC(C#N)=CN=C1 M45202 [0,1,0,0,0,0|2,0,1]=4 370 B9R1.2 CC1=CC(C#N)=NC=C1 M3710 [0,1,0,0,0,0|2,0,1]=4 371 B9R1.2 CC1=CC(C=O)=CN=C1 M12908 [0,1,0,0,0,0|1,0,2]=4 372 B9R1.2 CC1=CC(C=O)=NC=C1 M3027 [0,1,0,0,0,0|1,0,2]=4 373 B9R1.2 CC1=CC(CCl)=CN=C1 C46109 [0,1,0,0,0,0|2,0,0]=3 374 B9R1.2 CC1=CC(CCl)=NC=C1 C46106 [0,1,0,0,0,0|2,0,0]=3 375 B9R1.2 CC1=CC(CN)=NC=C1 A62602 [0,1,0,0,0,0|2,0,0]=3 376 B9R1.2 CC1=CC(CN)=NC=C1 M46587 [0,1,0,0,0,0|2,0,0]=3 377 B9R1.2 CC1=CC(CO)=CN=C1 H10516 [0,1,0,0,0,0|1,0,0]=2 378 B9R1.2 CC1=CC(CO)=NC=C1 M46387 [0,1,0,0,0,0|1,0,0]=2 379 B9R1.2 CC1=CC(CO)=NC=N1 M11486 [0,1,0,0,0,0|2,0,0]=3 380 B9R1.2 CC1=CC(CO)=NN=C1 M27710 [0,1,0,0,0,0|2,0,0]=3 381 B9R1.2 CC1=CC=CC(C#N)=N1 C7796 [0,1,0,0,0,0|2,0,1]=4 382 B9R1.2 CC1=CC=CC(C=O)=N1 M67935 [0,1,0,0,0,0|1,0,2]=4 383 B9R1.2 CC1=CC=CC(CBr)=N1 B46087 [0,1,0,0,0,0|2,0,0]=3 384 B9R1.2 CC1=CC=CC(CCl)=N1 C46103 [0,1,0,0,0,0|2,0,0]=3 385 B9R1.2 CC1=CC=CC(CN)=C1 M37355 [0,1,0,0,0,0|1,0,0]=2 386 B9R1.2 CC1=CC=CC(CN)=N1 M24786 [0,1,0,0,0,0|2,0,0]=3 387 B9R1.2 CC1=CC=CC(CN)=N1 M63579 [0,1,0,0,0,0|2,0,0]=3 388 B9R1.2 CC1=CC=CC(CO)=N1 M46384 [0,1,0,0,0,0|1,0,0]=2 389 B9R1.2 CC1=CC=CC(NN)=C1 M46458 [0,1,0,0,0,0|2,0,0]=3 390 B9R1.2 CC1=CC=CC(NN)=N1 H69493 [0,1,0,0,0,0|3,0,0]=4 391 B9R1.2 CC1=CC=NC(CCl)=N1 C11471 [0,1,0,0,0,0|3,0,0]=4 392 B9R1.2 CC1=CC=NC(CN)=N1 A14426 [0,1,0,0,0,0|3,0,0]=4 393 B9R1.2 CC1=CC=NC(CN)=N1 M29730 [0,1,0,0,0,0|3,0,0]=4 394 B9R1.2 CC1=CC=NC(CO)=N1 H11472 [0,1,0,0,0,0|2,0,0]=3 395 B9R1.2 CC1=CN=CC(CCl)=N1 C43005 [0,1,0,0,0,0|3,0,0]=4 396 B9R1.2 CC1=CN=NC(CN)=C1 A13026 [0,1,0,0,0,0|3,0,0]=4 397 B9R1.2 CC1=CN=NC(CN)=C1 M27097 [0,1,0,0,0,0|3,0,0]=4 398 B9R1.2 CC1=NC=CC(C=O)=C1 M36797 [0,1,0,0,0,0|1,0,2]=4 399 B9R1.2 CC1=NC=CC(CBr)=C1 B37231 [0,1,0,0,0,0|2,0,0]=3 400 B9R1.2 CC1=NC=CC(CN)=C1 M46586 [0,1,0,0,0,0|2,0,0]=3 401 B9R1.2 CC1=NC=CC(CO)=C1 M4019 [0,1,0,0,0,0|1,0,0]=2 402 B9R1.2 CCC1=CC(=O)NC=N1 E43198 [0,1,0,0,0,0|3,0,0]=4 403 B9R1.2 CCC1=CC(=O)NN=C1 E43197 [0,1,0,0,0,0|3,0,0]=4 404 B9R1.2 CCC1=CC(Br)=CN=C1 B46076 [0,1,0,0,0,0|2,0,0]=3 405 B9R1.2 CCC1=CC(Cl)=NC=N1 C69336 [0,1,0,0,0,0|3,0,0]=4 406 B9R1.2 CCC1=CC(N)=NC=C1 E4696 [0,1,0,0,0,0|2,0,0]=3 407 B9R1.2 CCC1=CC=CC(Br)=C1 B49158 [0,1,0,0,0,0|1,0,0]=2 408 B9R1.2 CCC1=CC=CC(Br)=N1 B46074 [0,1,0,0,0,0|2,0,0]=3 409 B9R1.2 CCC1=CC=CC(N)=C1 E68361 [0,1,0,0,0,0|1,0,0]=2 410 B9R1.2 CCC1=CC=CC(N)=N1 E43601 [0,1,0,0,0,0|2,0,0]=3 411 B9R1.2 CCC1=CC=CC([Mg+])=C1 E31740 [0,1,0,0,0,0|1,0,0]=2 412 B9R1.2 CCC1=CN=CC(N)=C1 E37485 [0,1,0,0,0,0|2,0,0]=3 413 B9R1.2 CCC1=NC=CC(Br)=C1 B46078 [0,1,0,0,0,0|2,0,0]=3 414 B9R1.2 CCC1=NC=CC(Cl)=N1 C29661 [0,1,0,0,0,0|3,0,0]=4 415 B9R1.2 CCC1=NC=CC(N)=C1 A15478 [0,1,0,0,0,0|2,0,0]=3 416 B9R1.2 CNC1=CC(Br)=NC=C1 B25633 [0,1,0,0,0,0|3,0,0]=4 417 B9R1.2 CNC1=CC(C)=CC=C1 D46861 [0,1,0,0,0,0|2,0,0]=3 418 B9R1.2 CNC1=CC=CC(Br)=C1 B46077 [0,1,0,0,0,0|2,0,0]=3 419 B9R1.2 CNC1=CC=CC(Br)=C1 B66504 [0,1,0,0,0,0|2,0,0]=3 420 B9R1.2 CNC1=CC=CC(Cl)=N1 C43001 [0,1,0,0,0,0|3,0,0]=4 421 B9R1.2 CNC1=NC(C)=CC=C1 D43615 [0,1,0,0,0,0|3,0,0]=4 422 B9R1.2 CNC1=NC=CC(Br)=C1 B23788 [0,1,0,0,0,0|3,0,0]=4 423 B9R1.2 CNC1=NC=CC(N)=C1 M43544 [0,1,0,0,0,0|3,0,0]=4 424 B9R1.2 COC1=CC(=O)NC=C1 M43139 [0,1,0,0,0,0|3,0,0]=4 425 B9R1.2 COC1=CC(Br)=CN=C1 B2876 [0,1,0,0,0,0|3,0,0]=4 426 B9R1.2 COC1=CC(Br)=NC=C1 B9053 [0,1,0,0,0,0|3,0,0]=4 427 B9R1.2 COC1=CC(C)=NC=C1 M22575 [0,1,0,0,0,0|3,0,0]=4 428 B9R1.2 COC1=CC(Cl)=NC=C1 C5269 [0,1,0,0,0,0|3,0,0]=4 429 B9R1.2 COC1=CC(F)=NC=C1 F21874 [0,1,0,0,0,0|3,0,0]=4 430 B9R1.2 COC1=CC(N)=NC=C1 A43189 [0,1,0,0,0,0|3,0,0]=4 431 B9R1.2 COC1=CC(O)=CC=C1 M27960 [0,1,0,0,0,0|2,0,0]=3 432 B9R1.2 COC1=CC=CC(Br)=N1 B2785 [0,1,0,0,0,0|3,0,0]=4 433 B9R1.2 COC1=CC=CC(Cl)=N1 C39269 [0,1,0,0,0,0|3,0,0]=4 434 B9R1.2 COC1=CC=CC(F)=C1 F45965 [0,1,0,0,0,0|2,0,0]=3 435 B9R1.2 COC1=CC=CC(F)=N1 F67375 [0,1,0,0,0,0|3,0,0]=4 436 B9R1.2 COC1=CC=CC(I)=C1 K45966 [0,1,0,0,0,0|2,0,0]=3 437 B9R1.2 COC1=CC=CC(I)=N1 K42932 [0,1,0,0,0,0|3,0,0]=4 438 B9R1.2 COC1=CC=CC([Mg+])=C1 M31743 [0,1,0,0,0,0|2,0,0]=3 439 B9R1.2 COC1=CN=CC(N)=C1 A14114 [0,1,0,0,0,0|3,0,0]=4 440 B9R1.2 COC1=CN=CC(N)=C1 A7930 [0,1,0,0,0,0|3,0,0]=4 441 B9R1.2 COC1=CN=CC(O)=C1 M43136 [0,1,0,0,0,0|3,0,0]=4 442 B9R1.2 COC1=NC(C)=CC=C1 M46380 [0,1,0,0,0,0|3,0,0]=4 443 B9R1.2 COC1=NC(N)=CC=C1 A43190 [0,1,0,0,0,0|3,0,0]=4 444 B9R1.2 COC1=NC=CC(Br)=C1 B3113 [0,1,0,0,0,0|3,0,0]=4 445 B9R1.2 COC1=NC=CC(C)=C1 M46379 [0,1,0,0,0,0|3,0,0]=4 446 B9R1.2 COC1=NC=CC(Cl)=C1 C42902 [0,1,0,0,0,0|3,0,0]=4 447 B9R1.2 COC1=NC=CC(F)=C1 F42927 [0,1,0,0,0,0|3,0,0]=4 448 B9R1.2 COC1=NC=CC(I)=C1 K60534 [0,1,0,0,0,0|3,0,0]=4 449 B9R1.2 COC1=NC=CC(N)=C1 M3947 [0,1,0,0,0,0|3,0,0]=4 450 B9R1.2 COC1=NC=CC(O)=C1 M38428 [0,1,0,0,0,0|3,0,0]=4 451 B9R1.2 CSC1=CC(N)=CC=C1 M46442 [0,1,0,0,0,0|2,0,0]=3 452 B9R1.2 CSC1=CC=CC(Br)=C1 B45613 [0,1,0,0,0,0|2,0,0]=3 453 B9R1.2 CSC1=CC=CC(Br)=N1 B2786 [0,1,0,0,0,0|3,0,0]=4 454 B9R1.2 CSC1=NC=CC(Cl)=C1 C42846 [0,1,0,0,0,0|3,0,0]=4 455 B9R1.2 ClC1=CC=CC(CBr)=C1 B39371 [0,1,0,0,0,0|1,0,0]=2 456 B9R1.2 ClC1=NC=CC(CBr)=C1 B42538 [0,1,0,0,0,0|2,0,0]=3 457 B9R1.2 ClCC1=CC(Br)=CN=C1 B15185 [0,1,0,0,0,0|2,0,0]=3 458 B9R1.2 ClCC1=CC(Cl)=CN=C1 C1777 [0,1,0,0,0,0|2,0,0]=3 459 B9R1.2 ClCC1=CC(Cl)=NC=C1 C12077 [0,1,0,0,0,0|2,0,0]=3 460 B9R1.2 ClCC1=CC=CC(Br)=C1 B45159 [0,1,0,0,0,0|1,0,0]=2 461 B9R1.2 ClCC1=CC=CC(Br)=N1 B27809 [0,1,0,0,0,0|2,0,0]=3 462 B9R1.2 ClCC1=CC=CC(Cl)=N1 C42562 [0,1,0,0,0,0|2,0,0]=3 463 B9R1.2 ClCC1=CC=CC(I)=C1 C45183 [0,1,0,0,0,0|1,0,0]=2 464 B9R1.2 ClCC1=NC=CC(Cl)=C1 C32395 [0,1,0,0,0,0|2,0,0]=3 465 B9R1.2 FC1=CC(CBr)=CN=C1 B37165 [0,1,0,0,0,0|2,0,0]=3 466 B9R1.2 FC1=CC(CCl)=CN=C1 C1821 [0,1,0,0,0,0|2,0,0]=3 467 B9R1.2 FC1=CC=CC(CBr)=C1 B45165 [0,1,0,0,0,0|1,0,0]=2 468 B9R1.2 FC1=CC=CC(CBr)=N1 B42547 [0,1,0,0,0,0|2,0,0]=3 469 B9R1.2 FC1=CC=CC(CCl)=N1 C42570 [0,1,0,0,0,0|2,0,0]=3 470 B9R1.2 N#CC1=CC(Br)=CN=C1 B12737 [0,1,0,0,0,0|2,0,1]=4 471 B9R1.2 N#CC1=CC(Br)=NC=C1 B32425 [0,1,0,0,0,0|2,0,1]=4 472 B9R1.2 N#CC1=CC(Cl)=CN=C1 C41827 [0,1,0,0,0,0|2,0,1]=4 473 B9R1.2 N#CC1=CC(F)=CN=C1 F41835 [0,1,0,0,0,0|2,0,1]=4 474 B9R1.2 N#CC1=CC(F)=NC=C1 C2804 [0,1,0,0,0,0|2,0,1]=4 475 B9R1.2 N#CC1=CC(N)=NC=C1 A2705 [0,1,0,0,0,0|2,0,1]=4 476 B9R1.2 N#CC1=CC(O)=CN=C1 H36685 [0,1,0,0,0,0|2,0,1]=4 477 B9R1.2 N#CC1=CC(O)=NC=C1 H12502 [0,1,0,0,0,0|2,0,1]=4 478 B9R1.2 N#CC1=CC=CC(Br)=C1 B67572 [0,1,0,0,0,0|1,0,1]=3 479 B9R1.2 N#CC1=CC=CC(Br)=N1 B0018 [0,1,0,0,0,0|2,0,1]=4 480 B9R1.2 N#CC1=CC=CC(Cl)=C1 C39326 [0,1,0,0,0,0|1,0,1]=3 481 B9R1.2 N#CC1=CC=CC(Cl)=N1 C4790 [0,1,0,0,0,0|2,0,1]=4 482 B9R1.2 N#CC1=CC=CC(F)=C1 F39329 [0,1,0,0,0,0|1,0,1]=3 483 B9R1.2 N#CC1=CC=CC(F)=N1 F38605 [0,1,0,0,0,0|2,0,1]=4 484 B9R1.2 N#CC1=CC=CC(I)=C1 K44442 [0,1,0,0,0,0|1,0,1]=3 485 B9R1.2 N#CC1=CC=CC(O)=C1 H64947 [0,1,0,0,0,0|1,0,1]=3 486 B9R1.2 N#CC1=CN=CC(N)=C1 A37387 [0,1,0,0,0,0|2,0,1]=4 487 B9R1.2 N#CC1=NC(N)=CC=C1 A23336 [0,1,0,0,0,0|2,0,1]=4 488 B9R1.2 N#CC1=NC=CC(Br)=C1 B0041 [0,1,0,0,0,0|2,0,1]=4 489 B9R1.2 N#CC1=NC=CC(Cl)=C1 C12276 [0,1,0,0,0,0|2,0,1]=4 490 B9R1.2 N#CC1=NC=CC(N)=C1 A0248 [0,1,0,0,0,0|2,0,1]=4 491 B9R1.2 N#CC1=NC=CC(O)=C1 H42086 [0,1,0,0,0,0|2,0,1]=4 492 B9R1.2 NC1=CC(C=O)=NC=C1 A37575 [0,1,0,0,0,0|1,0,2]=4 493 B9R1.2 NC1=CC(CO)=CN=C1 A43207 [0,1,0,0,0,0|1,0,0]=2 494 B9R1.2 NC1=CC(CO)=NC=C1 A15900 [0,1,0,0,0,0|1,0,0]=2 495 B9R1.2 NC1=CC=CC(C=O)=C1 A46548 [0,1,0,0,0,0|0,0,2]=3 496 B9R1.2 NC1=CC=CC(CO)=C1 A37868 [0,1,0,0,0,0|0,0,0]=1 497 B9R1.2 NC1=CC=CC(CO)=N1 A43208 [0,1,0,0,0,0|1,0,0]=2 498 B9R1.2 NC1=NC=CC(CO)=C1 A10460 [0,1,0,0,0,0|1,0,0]=2 499 B9R1.2 NC1=NC=CC(CO)=N1 A38214 [0,1,0,0,0,0|2,0,0]=3 500 B9R1.2 NCC1=CC(=O)N=CN1 A0948 [0,1,0,0,0,0|3,0,0]=4 501 B9R1.2 NCC1=CC(=O)NC=C1 A1717 [0,1,0,0,0,0|2,0,0]=3 502 B9R1.2 NCC1=CC(Br)=NC=C1 B25759 [0,1,0,0,0,0|2,0,0]=3 503 B9R1.2 NCC1=CC(Cl)=NC=C1 A10467 [0,1,0,0,0,0|2,0,0]=3 504 B9R1.2 NCC1=CC(Cl)=NC=C1 C30000 [0,1,0,0,0,0|2,0,0]=3 505 B9R1.2 NCC1=CC(F)=CN=C1 F5829 [0,1,0,0,0,0|2,0,0]=3 506 B9R1.2 NCC1=CC(F)=NC=C1 F43572 [0,1,0,0,0,0|2,0,0]=3 507 B9R1.2 NCC1=CC(F)=NC=C1 F61414 [0,1,0,0,0,0|2,0,0]=3 508 B9R1.2 NCC1=CC(N)=NC=C1 A43343 [0,1,0,0,0,0|2,0,0]=3 509 B9R1.2 NCC1=CC(N)=NC=N1 A0583 [0,1,0,0,0,0|3,0,0]=4 510 B9R1.2 NCC1=CC=CC(Br)=C1 B46079 [0,1,0,0,0,0|1,0,0]=2 511 B9R1.2 NCC1=CC=CC(Br)=N1 B42981 [0,1,0,0,0,0|2,0,0]=3 512 B9R1.2 NCC1=CC=CC(Cl)=C1 C46098 [0,1,0,0,0,0|1,0,0]=2 513 B9R1.2 NCC1=CC=CC(Cl)=N1 C43006 [0,1,0,0,0,0|2,0,0]=3 514 B9R1.2 NCC1=CC=CC(F)=C1 F15968 [0,1,0,0,0,0|1,0,0]=2 515 B9R1.2 NCC1=CC=CC(I)=C1 K46122 [0,1,0,0,0,0|1,0,0]=2 516 B9R1.2 NCC1=CC=CC(N)=C1 A43599 [0,1,0,0,0,0|1,0,0]=2 517 B9R1.2 NCC1=CC=NC(Cl)=N1 C29619 [0,1,0,0,0,0|3,0,0]=4 518 B9R1.2 NCC1=CN=CC(Cl)=N1 C18971 [0,1,0,0,0,0|3,0,0]=4 519 B9R1.2 NCC1=NC=CC(Br)=C1 A1747 [0,1,0,0,0,0|2,0,0]=3 520 B9R1.2 NCC1=NC=CC(Br)=C1 B42982 [0,1,0,0,0,0|2,0,0]=3 521 B9R1.2 NCC1=NC=CC(Cl)=C1 A14281 [0,1,0,0,0,0|2,0,0]=3 522 B9R1.2 NCC1=NC=CC(F)=C1 F43529 [0,1,0,0,0,0|2,0,0]=3 523 B9R1.2 NNC1=CC(=O)NC=C1 H41142 [0,1,0,0,0,0|3,0,0]=4 524 B9R1.2 NNC1=CC(Cl)=NC=C1 C68130 [0,1,0,0,0,0|3,0,0]=4 525 B9R1.2 NNC1=CC=CC(Br)=C1 B42979 [0,1,0,0,0,0|2,0,0]=3 526 B9R1.2 NNC1=CC=CC(Br)=N1 B41059 [0,1,0,0,0,0|3,0,0]=4 527 B9R1.2 NNC1=CC=CC(Cl)=N1 C4990 [0,1,0,0,0,0|3,0,0]=4 528 B9R1.2 NNC1=CC=CC(F)=C1 F43527 [0,1,0,0,0,0|2,0,0]=3 529 B9R1.2 NNC1=NC=CC(Cl)=C1 C41074 [0,1,0,0,0,0|3,0,0]=4 530 B9R1.2 O=C1C=C(CO)C=CN1 H0460 [0,1,0,0,0,0|1,0,0]=2 531 B9R1.2 O=C1C=CC=C(CO)N1 H23237 [0,1,0,0,0,0|1,0,0]=2 532 B9R1.2 O=C1C=CN=C(CCl)N1 C40934 [0,1,0,0,0,0|3,0,0]=4 533 B9R1.2 O=CC1=CC(Br)=CN=C1 B3012 [0,1,0,0,0,0|1,0,2]=4 534 B9R1.2 O=CC1=CC(Br)=NC=C1 B2598 [0,1,0,0,0,0|1,0,2]=4 535 B9R1.2 O=CC1=CC(Cl)=CN=C1 C15036 [0,1,0,0,0,0|1,0,2]=4 536 B9R1.2 O=CC1=CC(Cl)=NC=C1 C0408 [0,1,0,0,0,0|1,0,2]=4 537 B9R1.2 O=CC1=CC(F)=CN=C1 F15543 [0,1,0,0,0,0|1,0,2]=4 538 B9R1.2 O=CC1=CC(F)=NC=C1 F2753 [0,1,0,0,0,0|1,0,2]=4 539 B9R1.2 O=CC1=CC(O)=CC=C1 H15969 [0,1,0,0,0,0|0,0,2]=3 540 B9R1.2 O=CC1=CC(O)=NC=C1 H42599 [0,1,0,0,0,0|1,0,2]=4 541 B9R1.2 O=CC1=CC=CC(Br)=C1 B68146 [0,1,0,0,0,0|0,0,2]=3 542 B9R1.2 O=CC1=CC=CC(Br)=N1 B0253 [0,1,0,0,0,0|1,0,2]=4 543 B9R1.2 O=CC1=CC=CC(Cl)=C1 C69283 [0,1,0,0,0,0|0,0,2]=3 544 B9R1.2 O=CC1=CC=CC(Cl)=N1 C42296 [0,1,0,0,0,0|1,0,2]=4 545 B9R1.2 O=CC1=CC=CC(F)=C1 F45149 [0,1,0,0,0,0|0,0,2]=3 546 B9R1.2 O=CC1=CC=CC(F)=N1 F42303 [0,1,0,0,0,0|1,0,2]=4 547 B9R1.2 O=CC1=CC=CC(I)=C1 K45152 [0,1,0,0,0,0|0,0,2]=3 548 B9R1.2 O=CC1=CN=CC(O)=C1 H37579 [0,1,0,0,0,0|1,0,2]=4 549 B9R1.2 O=CC1=NC=CC(Br)=C1 B15000 [0,1,0,0,0,0|1,0,2]=4 550 B9R1.2 O=CC1=NC=CC(Cl)=C1 C10313 [0,1,0,0,0,0|1,0,2]=4 551 B9R1.2 O=CC1=NC=CC(F)=C1 F16335 [0,1,0,0,0,0|1,0,2]=4 552 B9R1.2 OC1=CC=CC(CBr)=C1 B38962 [0,1,0,0,0,0|1,0,0]=2 553 B9R1.2 OCC1=CC(Br)=CN=C1 B12503 [0,1,0,0,0,0|1,0,0]=2 554 B9R1.2 OCC1=CC(Br)=NC=C1 B42880 [0,1,0,0,0,0|1,0,0]=2 555 B9R1.2 OCC1=CC(Cl)=CN=C1 C42912 [0,1,0,0,0,0|1,0,0]=2 556 B9R1.2 OCC1=CC(Cl)=NC=C1 C12733 [0,1,0,0,0,0|1,0,0]=2 557 B9R1.2 OCC1=CC(Cl)=NC=N1 C11372 [0,1,0,0,0,0|2,0,0]=3 558 B9R1.2 OCC1=CC(F)=CN=C1 F0704 [0,1,0,0,0,0|1,0,0]=2 559 B9R1.2 OCC1=CC(O)=CN=C1 H39124 [0,1,0,0,0,0|1,0,0]=2 560 B9R1.2 OCC1=CC=CC(Br)=N1 B12271 [0,1,0,0,0,0|1,0,0]=2 561 B9R1.2 OCC1=CC=CC(Cl)=C1 C39405 [0,1,0,0,0,0|0,0,0]=1 562 B9R1.2 OCC1=CC=CC(Cl)=N1 C38619 [0,1,0,0,0,0|1,0,0]=2 563 B9R1.2 OCC1=CC=CC(Cl)=N1 C42916 [0,1,0,0,0,0|1,0,0]=2 564 B9R1.2 OCC1=CC=CC(F)=C1 F39408 [0,1,0,0,0,0|0,0,0]=1 565 B9R1.2 OCC1=CC=CC(F)=N1 F67771 [0,1,0,0,0,0|1,0,0]=2 566 B9R1.2 OCC1=CC=CC(I)=C1 H61971 [0,1,0,0,0,0|0,0,0]=1 567 B9R1.2 OCC1=CN=CC(Br)=N1 B40916 [0,1,0,0,0,0|2,0,0]=3 568 B9R1.2 OCC1=CN=CC(Cl)=N1 C14609 [0,1,0,0,0,0|2,0,0]=3 569 B9R1.2 OCC1=NC=CC(Br)=C1 B0602 [0,1,0,0,0,0|1,0,0]=2 570 B9R1.2 OCC1=NC=CC(Cl)=C1 C12436 [0,1,0,0,0,0|1,0,0]=2 571 B9R1.2 OCC1=NC=CC(F)=C1 F37340 [0,1,0,0,0,0|1,0,0]=2 572 B9R1.6 CC(C)C1=NC=CC=C1 I0627 [0,1,0,0,0,0|2,0,0]=3 573 B9R1.6 CN(C)C1=CC=NC=C1 P68104 [0,1,0,0,0,0|3,0,0]=4 574 B9R1.6 C[C@@H](N)C1=CC=CC=C1 P68072 [0,1,0,0,0,0|1,0,0]=2 575 B9R1.6 C[C@@H](N)C1=CC=CN=C1 P43620 [0,1,0,0,0,0|2,0,0]=3 576 B9R1.6 C[C@@H](N)C1=CC=NC=C1 P43606 [0,1,0,0,0,0|2,0,0]=3 577 B9R1.6 C[C@@H](N)C1=CC=NC=C1 P46584 [0,1,0,0,0,0|2,0,0]=3 578 B9R1.6 C[C@@H](N)C1=CN=CN=C1 A12922 [0,1,0,0,0,0|3,0,0]=4 579 B9R1.6 C[C@@H](N)C1=CN=CN=C1 P27095 [0,1,0,0,0,0|3,0,0]=4 580 B9R1.6 C[C@@H](N)C1=NC=CC=C1 P43619 [0,1,0,0,0,0|2,0,0]=3 581 B9R1.6 C[C@@H](N)C1=NC=CC=C1 P46583 [0,1,0,0,0,0|2,0,0]=3 582 B9R1.6 C[C@@H](O)C1=CC=CC=C1 P46824 [0,1,0,0,0,0|0,0,0]=1 583 B9R1.6 C[C@@H](O)C1=CC=NC=C1 P46383 [0,1,0,0,0,0|1,0,0]=2 584 B9R1.6 C[C@@H](O)C1=NC=CC=C1 P46382 [0,1,0,0,0,0|1,0,0]=2 585 B9R1.6 C[C@H](Br)C1=NC=CN=C1 B42963 [0,1,0,0,0,0|3,0,0]=4 586 B9R1.6 C[C@H](N)C1=CC=CC=C1 P68597 [0,1,0,0,0,0|1,0,0]=2 587 B9R1.6 C[C@H](N)C1=CC=CC=C1 P69271 [0,1,0,0,0,0|1,0,0]=2 588 B9R1.6 C[C@H](N)C1=CC=CN=C1 P43604 [0,1,0,0,0,0|2,0,0]=3 589 B9R1.6 C[C@H](N)C1=CC=CN=C1 P46585 [0,1,0,0,0,0|2,0,0]=3 590 B9R1.6 C[C@H](N)C1=CC=CN=C1 P61653 [0,1,0,0,0,0|2,0,0]=3 591 B9R1.6 C[C@H](N)C1=CC=NC=C1 P43607 [0,1,0,0,0,0|2,0,0]=3 592 B9R1.6 C[C@H](N)C1=CC=NC=C1 P46582 [0,1,0,0,0,0|2,0,0]=3 593 B9R1.6 C[C@H](N)C1=CN=CN=C1 A12921 [0,1,0,0,0,0|3,0,0]=4 594 B9R1.6 C[C@H](N)C1=CN=CN=C1 A7447 [0,1,0,0,0,0|3,0,0]=4 595 B9R1.6 C[C@H](N)C1=CN=NC=C1 P30996 [0,1,0,0,0,0|3,0,0]=4 596 B9R1.6 C[C@H](N)C1=NC=CC=C1 P43621 [0,1,0,0,0,0|2,0,0]=3 597 B9R1.6 C[C@H](N)C1=NC=CC=C1 P66366 [0,1,0,0,0,0|2,0,0]=3 598 B9R1.6 C[C@H](N)C1=NC=CC=N1 P36807 [0,1,0,0,0,0|3,0,0]=4 599 B9R1.6 C[C@H](N)C1=NC=CN=C1 P14583 [0,1,0,0,0,0|3,0,0]=4 600 B9R1.6 C[C@H](N)C1=NC=NC=C1 A12259 [0,1,0,0,0,0|3,0,0]=4 601 B9R1.6 C[C@H](O)C1=CC=CC=C1 P46823 [0,1,0,0,0,0|0,0,0]=1 602 B9R1.6 C[C@H](O)C1=CC=NC=C1 P38118 [0,1,0,0,0,0|1,0,0]=2 603 B9R1.6 C[C@H](O)C1=NC=CC=C1 P46375 [0,1,0,0,0,0|1,0,0]=2 604 B9R1.6 C[C@H](O)C1=NC=CN=C1 P43187 [0,1,0,0,0,0|2,0,0]=3 605 B9R1.6 C[S@](=O)C1=CC=CC=C1 M61814 [0,1,0,0,0,0|1,0,1]=3 606 B9R1.6 C[S@](=O)C1=NC=CC=C1 M43172 [0,1,0,0,0,0|2,0,1]=4 607 B9R1.6 N=C(N)C1=CC=CC=C1 B39428 [0,1,0,0,0,0|1,0,1]=3 608 B9R1.6 N=C(N)C1=CC=CN=C1 N43530 [0,1,0,0,0,0|2,0,1]=4 609 B9R1.6 N=C(N)C1=CC=NC=C1 N43531 [0,1,0,0,0,0|2,0,1]=4 610 B9R1.6 N=C(N)C1=NC=CC=C1 A3829 [0,1,0,0,0,0|2,0,1]=4 611 B9R1.6 N=C(N)C1=NC=CC=C1 P43087 [0,1,0,0,0,0|2,0,1]=4 612 B9R1.6 NC(=O)C1=CC=CC=C1 B69845 [0,1,0,0,0,0|0,0,2]=3 613 B9R1.6 NC(=O)C1=NC=CC=C1 P60877 [0,1,0,0,0,0|1,0,2]=4 614 B9R1.6 O=C(Cl)C1=CC=NC=C1 N39246 [0,1,0,0,0,0|1,0,2]=4 615 B9R1.6 O=C(Cl)C1=NC=CC=C1 P42299 [0,1,0,0,0,0|1,0,2]=4 616 B9R1.6 O=C(O)C1=CN=CN=C1 P2410 [0,1,0,0,0,0|2,0,1]=4 617 B9R1.6 O=C(O)C1=CN=NC=C1 P3453 [0,1,0,0,0,0|2,0,1]=4 618 B9R1.6 O=C(O)C1=NC=CC=C1 P62145 [0,1,0,0,0,0|1,0,1]=3 619 B9R1.6 O=C(O)C1=NC=CC=N1 P5589 [0,1,0,0,0,0|2,0,1]=4 620 B9R1.6 O=C(O)C1=NC=CN=C1 P2716 [0,1,0,0,0,0|2,0,1]=4 621 B9R1.6 O=C(O)C1=NC=NC=C1 P4579 [0,1,0,0,0,0|2,0,1]=4 622 B9R1.6 O=C(O)C1=NN=CC=C1 P3149 [0,1,0,0,0,0|2,0,1]=4 623 B9R1.6 O=[S@]([O-])C1=CC=CC=C1 S68689 [0,1,0,0,0,0|1,0,1]=3 624 B9R1.6 OB(O)C1=CC=NC=C1 P5100 [0,1,0,0,0,0|2,0,0]=3 625 B9R1.6 OB(O)C1=CN=CC=C1 P5080 [0,1,0,0,0,0|2,0,0]=3 626 B9R1.6 OB(O)C1=CN=CN=C1 P5106 [0,1,0,0,0,0|3,0,0]=4 627 B9R1.6 OB(O)C1=NC=CC=C1 P36680 [0,1,0,0,0,0|2,0,0]=3 628 B9R1.6 OB(O)C1=NC=CN=C1 P36936 [0,1,0,0,0,0|3,0,0]=4 629 B9R1.6 OB(O)C1=NC=NC=C1 P32118 [0,1,0,0,0,0|3,0,0]=4 630 B9R1.8 BrCCC1=CC=NC=C1 B46088 [0,1,0,0,0,0|2,0,0]=3 631 B9R1.8 CC#CC1=CC=CC=C1 P68608 [0,1,0,0,0,0|1,0,1]=3 632 B9R1.8 CCCC1=NC=CC=C1 P46859 [0,1,0,0,0,0|2,0,0]=3 633 B9R1.8 CCCC1=NC=CN=C1 P43598 [0,1,0,0,0,0|3,0,0]=4 634 B9R1.8 CCNC1=NC=CN=C1 E43330 [0,1,0,0,0,0|3,0,0]=4 635 B9R1.8 CCOC1=NC=CC=C1 E46369 [0,1,0,0,0,0|2,0,0]=3 636 B9R1.8 CNCC1=CC=NC=C1 M43623 [0,1,0,0,0,0|2,0,0]=3 637 B9R1.8 CNCC1=CN=CN=C1 N11436 [0,1,0,0,0,0|3,0,0]=4 638 B9R1.8 CNCC1=CN=NC=C1 M12238 [0,1,0,0,0,0|3,0,0]=4 639 B9R1.8 CNCC1=CN=NC=C1 M27035 [0,1,0,0,0,0|3,0,0]=4 640 B9R1.8 CNCC1=NC=CC=N1 M14362 [0,1,0,0,0,0|3,0,0]=4 641 B9R1.8 CNCC1=NC=CC=N1 M31227 [0,1,0,0,0,0|3,0,0]=4 642 B9R1.8 CNCC1=NC=CN=C1 M14584 [0,1,0,0,0,0|3,0,0]=4 643 B9R1.8 CNNC1=CC=CC=C1 M46459 [0,1,0,0,0,0|2,0,0]=3 644 B9R1.8 COCC1=NC=CC=C1 M46377 [0,1,0,0,0,0|1,0,0]=2 645 B9R1.8 C\C=C\C1=CC=CC=C1 P62367 [0,1,0,0,0,0|1,0,1]=3 646 B9R1.8 IC#CC1=CC=CC=C1 I1886 [0,1,0,0,0,0|1,0,1]=3 647 B9R1.8 N#CCC1=CN=CC=C1 P38543 [0,1,0,0,0,0|2,0,0]=3 648 B9R1.8 N#CCC1=CN=CN=C1 P1642 [0,1,0,0,0,0|3,0,0]=4 649 B9R1.8 N#CCC1=CN=NC=C1 P0143 [0,1,0,0,0,0|3,0,0]=4 650 B9R1.8 N#CCC1=NC=CC=C1 P45196 [0,1,0,0,0,0|2,0,0]=3 651 B9R1.8 N#CCC1=NC=CC=N1 P7449 [0,1,0,0,0,0|3,0,0]=4 652 B9R1.8 N#CCC1=NC=NC=C1 P7453 [0,1,0,0,0,0|3,0,0]=4 653 B9R1.8 N#CCC1=NN=CC=C1 P7452 [0,1,0,0,0,0|3,0,0]=4 654 B9R1.8 N#COC1=CC=CC=C1 P44923 [0,1,0,0,0,0|1,0,1]=3 655 B9R1.8 NCCC1=CC=CN=C1 P43605 [0,1,0,0,0,0|2,0,0]=3 656 B9R1.8 NCCC1=NC=CC=C1 P67673 [0,1,0,0,0,0|2,0,0]=3 657 B9R1.8 NCCC1=NC=NC=C1 P14666 [0,1,0,0,0,0|3,0,0]=4 658 B9R1.8 NCCC1=NC=NC=C1 P29961 [0,1,0,0,0,0|3,0,0]=4 659 B9R1.8 NNCC1=CC=CC=C1 B6123 [0,1,0,0,0,0|1,0,0]=2 660 B9R1.8 NNCC1=CC=CC=C1 B68081 [0,1,0,0,0,0|1,0,0]=2 661 B9R1.8 NNCC1=CC=CN=C1 H0097 [0,1,0,0,0,0|2,0,0]=3 662 B9R1.8 NNCC1=CC=CN=C1 H36962 [0,1,0,0,0,0|2,0,0]=3 663 B9R1.8 NNCC1=CC=CN=N1 H13970 [0,1,0,0,0,0|3,0,0]=4 664 B9R1.8 NNCC1=CC=NC=C1 H0096 [0,1,0,0,0,0|2,0,0]=3 665 B9R1.8 NNCC1=CC=NC=C1 H26285 [0,1,0,0,0,0|2,0,0]=3 666 B9R1.8 NNCC1=CN=CN=C1 H0219 [0,1,0,0,0,0|3,0,0]=4 667 B9R1.8 NNCC1=CN=NC=C1 H12257 [0,1,0,0,0,0|3,0,0]=4 668 B9R1.8 NNCC1=NC=CC=C1 H0098 [0,1,0,0,0,0|2,0,0]=3 669 B9R1.8 NNCC1=NC=CC=N1 H7463 [0,1,0,0,0,0|3,0,0]=4 670 B9R1.8 NNCC1=NC=CN=C1 H7534 [0,1,0,0,0,0|3,0,0]=4 671 B9R1.8 NOCC1=CC=CC=C1 B68114 [0,1,0,0,0,0|0,0,0]=1 672 B9R1.8 O=C=NC1=NC=CC=C1 C64750 [0,1,0,0,0,0|1,0,2]=4 673 B9R1.8 O=COC1=CC=CC=C1 P45508 [0,1,0,0,0,0|0,0,2]=3 674 B9R1.8 OCCC1=CC=NC=C1 H46381 [0,1,0,0,0,0|1,0,0]=2 675 B9R1.8 OCCC1=CN=CC=C1 P46376 [0,1,0,0,0,0|1,0,0]=2 676 B9R1.8 OCCC1=NC=CN=C1 P24824 [0,1,0,0,0,0|2,0,0]=3 677 B9R1.8 ON=CC1=NC=NC=C1 P40960 [0,1,0,0,0,0|2,0,1]=4 678 B9R1.8 ONCC1=CC=CC=C1 B36744 [0,1,0,0,0,0|0,0,0]=1 679 B9R1.8 ONCC1=CC=CC=C1 B46575 [0,1,0,0,0,0|0,0,0]=1 680 B9R1.8 O\N=C\C1=CC=CC=C1 B61148 [0,1,0,0,0,0|0,0,1]=2 681 B9R1.8 S=C=NC1=CC=CC=C1 T64712 [0,1,0,0,0,0|0,1,1]=3 682 B9R1.8 S=C=NC1=CC=NC=C1 T64211 [0,1,0,0,0,0|1,1,1]=4 683 B9R1.8 [C-]#[N+]CC1=CC=CC=C1 B66761 [0,1,0,0,0,0|1,0,0]=2 684 B9R1.8 [Mg+]CCC1=CC=CC=C1 P31723 [0,1,0,0,0,0|1,0,0]=2 685 B9R1.8 [N-]=[N+]=NC1=CN=CC=C1 A2019 [0,1,0,0,0,0|3,0,0]=4 686 B9R1.15 BrCC1=C(Br)C=CC=N1 B32048 [0,1,0,0,0,0|2,0,0]=3 687 B9R1.15 BrCC1=C(I)C=CC=C1 B37896 [0,1,0,0,0,0|1,0,0]=2 688 B9R1.15 C#CC1=C(Br)C=CC=C1 B38613 [0,1,0,0,0,0|1,0,1]=3 689 B9R1.15 C#CC1=C(Cl)C=CC=C1 C38576 [0,1,0,0,0,0|1,0,1]=3 690 B9R1.15 C#CC1=C(F)C=CC=C1 E47539 [0,1,0,0,0,0|1,0,1]=3 691 B9R1.15 C#CC1=C(N)C=CC=C1 E24087 [0,1,0,0,0,0|1,0,1]=3 692 B9R1.15 C#CC1=C(N)C=CN=C1 E37259 [0,1,0,0,0,0|2,0,1]=4 693 B9R1.15 C#CC1=C(N)C=NC=C1 E45199 [0,1,0,0,0,0|2,0,1]=4 694 B9R1.15 C#CC1=C(O)C=CC=C1 E48112 [0,1,0,0,0,0|1,0,1]=3 695 B9R1.15 C#CC1=CC=CN=C1F E44435 [0,1,0,0,0,0|2,0,1]=4 696 B9R1.15 C#CC1=CC=CN=C1N E45198 [0,1,0,0,0,0|2,0,1]=4 697 B9R1.15 C=CC1=C(Br)C=CC=C1 B48296 [0,1,0,0,0,0|1,0,1]=3 698 B9R1.15 C=CC1=C(Cl)C=CC=C1 C48303 [0,1,0,0,0,0|1,0,1]=3 699 B9R1.15 C=CC1=C(N)C=CC=C1 V36733 [0,1,0,0,0,0|1,0,1]=3 700 B9R1.15 CC1=C(C#N)C=CC=N1 C10623 [0,1,0,0,0,0|2,0,1]=4 701 B9R1.15 CC1=C(C#N)C=CN=C1 M14014 [0,1,0,0,0,0|2,0,1]=4 702 B9R1.15 CC1=C(C#N)C=NC=C1 M14105 [0,1,0,0,0,0|2,0,1]=4 703 B9R1.15 CC1=C(C=O)C=CC=N1 M1759 [0,1,0,0,0,0|1,0,2]=4 704 B9R1.15 CC1=C(C=O)C=NC=C1 M1852 [0,1,0,0,0,0|1,0,2]=4 705 B9R1.15 CC1=C(CBr)C=CC=N1 B15311 [0,1,0,0,0,0|2,0,0]=3 706 B9R1.15 CC1=C(CBr)C=NC=C1 B37536 [0,1,0,0,0,0|2,0,0]=3 707 B9R1.15 CC1=C(CCl)C=CC=N1 C14756 [0,1,0,0,0,0|2,0,0]=3 708 B9R1.15 CC1=C(CCl)C=CN=C1 C13917 [0,1,0,0,0,0|2,0,0]=3 709 B9R1.15 CC1=C(CCl)C=CN=C1 C46110 [0,1,0,0,0,0|2,0,0]=3 710 B9R1.15 CC1=C(CCl)C=NC=C1 C14757 [0,1,0,0,0,0|2,0,0]=3 711 B9R1.15 CC1=C(CCl)C=NC=C1 C46108 [0,1,0,0,0,0|2,0,0]=3 712 B9R1.15 CC1=C(CN)C=CC=C1 M65907 [0,1,0,0,0,0|1,0,0]=2 713 B9R1.15 CC1=C(CN)C=NC=C1 A11511 [0,1,0,0,0,0|2,0,0]=3 714 B9R1.15 CC1=C(CN)N=NC=C1 M60279 [0,1,0,0,0,0|3,0,0]=4 715 B9R1.15 CC1=C(CO)C=CN=C1 H1761 [0,1,0,0,0,0|1,0,0]=2 716 B9R1.15 CC1=C(CO)C=CN=N1 M63840 [0,1,0,0,0,0|2,0,0]=3 717 B9R1.15 CC1=C(CO)C=NC=C1 H11512 [0,1,0,0,0,0|1,0,0]=2 718 B9R1.15 CC1=C(NN)C=CC=C1 T39424 [0,1,0,0,0,0|2,0,0]=3 719 B9R1.15 CC1=CC=CN=C1C#N M29764 [0,1,0,0,0,0|2,0,1]=4 720 B9R1.15 CC1=CC=CN=C1C=O M1872 [0,1,0,0,0,0|1,0,2]=4 721 B9R1.15 CC1=CC=CN=C1CCl C14758 [0,1,0,0,0,0|2,0,0]=3 722 B9R1.15 CC1=CC=CN=C1CCl C46105 [0,1,0,0,0,0|2,0,0]=3 723 B9R1.15 CC1=CC=CN=C1CN M46460 [0,1,0,0,0,0|2,0,0]=3 724 B9R1.15 CC1=CC=CN=C1CO H46388 [0,1,0,0,0,0|1,0,0]=2 725 B9R1.15 CC1=CN=NC=C1CN A14785 [0,1,0,0,0,0|3,0,0]=4 726 B9R1.15 CC1=NC=CN=C1CCl C14615 [0,1,0,0,0,0|3,0,0]=4 727 B9R1.15 CC1=NC=CN=C1CN A11549 [0,1,0,0,0,0|3,0,0]=4 728 B9R1.15 CC1=NC=CN=C1CO H14616 [0,1,0,0,0,0|2,0,0]=3 729 B9R1.15 CCC1=C(Br)C=CC=C1 B68946 [0,1,0,0,0,0|1,0,0]=2 730 B9R1.15 CCC1=C(Br)C=CC=N1 B23432 [0,1,0,0,0,0|2,0,0]=3 731 B9R1.15 CCC1=C(Br)C=CN=C1 B10961 [0,1,0,0,0,0|2,0,0]=3 732 B9R1.15 CCC1=C(Br)C=CN=C1 B30062 [0,1,0,0,0,0|2,0,0]=3 733 B9R1.15 CCC1=C(Br)C=NC=C1 B23431 [0,1,0,0,0,0|2,0,0]=3 734 B9R1.15 CCC1=C(Br)C=NC=N1 B42964 [0,1,0,0,0,0|3,0,0]=4 735 B9R1.15 CCC1=C(C)C=CC=C1 E50165 [0,1,0,0,0,0|1,0,0]=2 736 B9R1.15 CCC1=C(F)C=NC=N1 E0673 [0,1,0,0,0,0|3,0,0]=4 737 B9R1.15 CCC1=C([Mg+])C=CC=C1 E31738 [0,1,0,0,0,0|1,0,0]=2 738 B9R1.15 CCC1=CC=NNC1=O E43195 [0,1,0,0,0,0|3,0,0]=4 739 B9R1.15 CCC1=CN=CN=C1Cl C42985 [0,1,0,0,0,0|3,0,0]=4 740 B9R1.15 CCC1=NC=CN=C1C E43603 [0,1,0,0,0,0|3,0,0]=4 741 B9R1.15 CCC1=NC=CN=C1Cl C38966 [0,1,0,0,0,0|3,0,0]=4 742 B9R1.15 CCC1=NC=CN=C1N E43328 [0,1,0,0,0,0|3,0,0]=4 743 B9R1.15 CCC1=NC=CNC1=O E43188 [0,1,0,0,0,0|3,0,0]=4 744 B9R1.15 CC[N+]1=C(Br)C=CC=C1 B46367 [0,1,0,0,0,0|2,0,0]=3 745 B9R1.15 CNC1=C(Br)C=CC=C1 B46075 [0,1,0,0,0,0|2,0,0]=3 746 B9R1.15 CNC1=C(C)C=CC=C1 D46860 [0,1,0,0,0,0|2,0,0]=3 747 B9R1.15 CNC1=C(C)C=CN=C1 D67183 [0,1,0,0,0,0|3,0,0]=4 748 B9R1.15 CNC1=C(Cl)C=CC=C1 C46094 [0,1,0,0,0,0|2,0,0]=3 749 B9R1.15 CNC1=C(Cl)C=CC=N1 C42995 [0,1,0,0,0,0|3,0,0]=4 750 B9R1.15 CNC1=C(F)C=CC=C1 M39414 [0,1,0,0,0,0|2,0,0]=3 751 B9R1.15 CNC1=C(N)C=CC=C1 M43618 [0,1,0,0,0,0|2,0,0]=3 752 B9R1.15 CNC1=C(N)C=CC=C1 M68814 [0,1,0,0,0,0|2,0,0]=3 753 B9R1.15 CNC1=C(N)C=CN=C1 M62812 [0,1,0,0,0,0|3,0,0]=4 754 B9R1.15 CNC1=C(O)C=CC=C1 M64657 [0,1,0,0,0,0|2,0,0]=3 755 B9R1.15 CNC1=CC=CN=C1Cl C42994 [0,1,0,0,0,0|3,0,0]=4 756 B9R1.15 CNC1=CC=CN=C1N M62813 [0,1,0,0,0,0|3,0,0]=4 757 B9R1.15 CNC1=NC=CC=C1N M43341 [0,1,0,0,0,0|3,0,0]=4 758 B9R1.15 COC1=C(Br)C=CC=C1 B67901 [0,1,0,0,0,0|2,0,0]=3 759 B9R1.15 COC1=C(Br)C=CC=N1 B12855 [0,1,0,0,0,0|3,0,0]=4 760 B9R1.15 COC1=C(Br)C=CN=C1 B61080 [0,1,0,0,0,0|3,0,0]=4 761 B9R1.15 COC1=C(Br)C=NC=C1 B9421 [0,1,0,0,0,0|3,0,0]=4 762 B9R1.15 COC1=C(Cl)C=CC=N1 C42900 [0,1,0,0,0,0|3,0,0]=4 763 B9R1.15 COC1=C(Cl)C=NC=C1 C42901 [0,1,0,0,0,0|3,0,0]=4 764 B9R1.15 COC1=C(F)C=CC=N1 F42926 [0,1,0,0,0,0|3,0,0]=4 765 B9R1.15 COC1=C(I)C=CC=C1 K68160 [0,1,0,0,0,0|2,0,0]=3 766 B9R1.15 COC1=C(I)C=CC=N1 K42933 [0,1,0,0,0,0|3,0,0]=4 767 B9R1.15 COC1=C(I)C=NC=C1 K42934 [0,1,0,0,0,0|3,0,0]=4 768 B9R1.15 COC1=C(N)C=NC=C1 A43191 [0,1,0,0,0,0|3,0,0]=4 769 B9R1.15 COC1=C(N)N=CC=C1 A69248 [0,1,0,0,0,0|3,0,0]=4 770 B9R1.15 COC1=C([Mg+])C=CC=C1 M31742 [0,1,0,0,0,0|2,0,0]=3 771 B9R1.15 COC1=CC=CN=C1Br B4536 [0,1,0,0,0,0|3,0,0]=4 772 B9R1.15 COC1=CC=CN=C1Cl C24085 [0,1,0,0,0,0|3,0,0]=4 773 B9R1.15 COC1=CC=CN=C1F F42924 [0,1,0,0,0,0|3,0,0]=4 774 B9R1.15 COC1=CC=CN=C1I K62151 [0,1,0,0,0,0|3,0,0]=4 775 B9R1.15 COC1=NC=CC=C1C M46378 [0,1,0,0,0,0|3,0,0]=4 776 B9R1.15 COC1=NC=CC=C1N A12743 [0,1,0,0,0,0|3,0,0]=4 777 B9R1.15 CSC1=C(F)N=CC=C1 F42849 [0,1,0,0,0,0|3,0,0]=4 778 B9R1.15 CSC1=C([Mg+])C=CC=C1 M31770 [0,1,0,0,0,0|2,0,0]=3 779 B9R1.15 ClCC1=C(Br)C=CC=N1 B42529 [0,1,0,0,0,0|2,0,0]=3 780 B9R1.15 ClCC1=C(Cl)C=CC=N1 C42563 [0,1,0,0,0,0|2,0,0]=3 781 B9R1.15 ClCC1=C(Cl)C=CC=N1 C42564 [0,1,0,0,0,0|2,0,0]=3 782 B9R1.15 ClCC1=CC=CN=C1Cl C7688 [0,1,0,0,0,0|2,0,0]=3 783 B9R1.15 ClCC1=NC=CN=C1Cl C12594 [0,1,0,0,0,0|3,0,0]=4 784 B9R1.15 FC1=C(C[Mg+])C=CC=C1 F6778 [0,1,0,0,0,0|1,0,0]=2 785 B9R1.15 FC1=CC=CN=C1CBr B19661 [0,1,0,0,0,0|2,0,0]=3 786 B9R1.15 FC1=CC=CN=C1CBr B7783 [0,1,0,0,0,0|2,0,0]=3 787 B9R1.15 FC1=CC=CN=C1CCl C13988 [0,1,0,0,0,0|2,0,0]=3 788 B9R1.15 N#CC1=C(Br)C=CC=C1 B67862 [0,1,0,0,0,0|1,0,1]=3 789 B9R1.15 N#CC1=C(Br)C=CC=N1 B14099 [0,1,0,0,0,0|2,0,1]=4 790 B9R1.15 N#CC1=C(Br)C=NC=C1 B19387 [0,1,0,0,0,0|2,0,1]=4 791 B9R1.15 N#CC1=C(Cl)C=CC=N1 C14306 [0,1,0,0,0,0|2,0,1]=4 792 B9R1.15 N#CC1=C(Cl)C=CN=C1 C41826 [0,1,0,0,0,0|2,0,1]=4 793 B9R1.15 N#CC1=C(Cl)C=NC=C1 C24886 [0,1,0,0,0,0|2,0,1]=4 794 B9R1.15 N#CC1=C(F)C=CC=C1 F68598 [0,1,0,0,0,0|1,0,1]=3 795 B9R1.15 N#CC1=C(F)C=CC=N1 C10406 [0,1,0,0,0,0|2,0,1]=4 796 B9R1.15 N#CC1=C(F)C=NC=C1 F16722 [0,1,0,0,0,0|2,0,1]=4 797 B9R1.15 N#CC1=C(I)C=CC=C1 K44441 [0,1,0,0,0,0|1,0,1]=3 798 B9R1.15 N#CC1=C(N)C=CC=C1 A68606 [0,1,0,0,0,0|1,0,1]=3 799 B9R1.15 N#CC1=C(N)C=NC=C1 A42467 [0,1,0,0,0,0|2,0,1]=4 800 B9R1.15 N#CC1=C(N)N=CC=C1 A67490 [0,1,0,0,0,0|2,0,1]=4 801 B9R1.15 N#CC1=C(O)C=CC=C1 H68602 [0,1,0,0,0,0|1,0,1]=3 802 B9R1.15 N#CC1=C(O)C=CC=N1 H26595 [0,1,0,0,0,0|2,0,1]=4 803 B9R1.15 N#CC1=CC=CN=C1Br B37950 [0,1,0,0,0,0|2,0,1]=4 804 B9R1.15 N#CC1=CC=CN=C1Cl C1772 [0,1,0,0,0,0|2,0,1]=4 805 B9R1.15 N#CC1=CC=CN=C1F F41834 [0,1,0,0,0,0|2,0,1]=4 806 B9R1.15 N#CC1=CC=CNC1=O H1679 [0,1,0,0,0,0|2,0,1]=4 807 B9R1.15 N#CC1=NC=CC=C1N A0534 [0,1,0,0,0,0|2,0,1]=4 808 B9R1.15 NC1=C(C=O)C=CC=C1 A32220 [0,1,0,0,0,0|0,0,2]=3 809 B9R1.15 NC1=C(C=O)C=CC=N1 A25218 [0,1,0,0,0,0|1,0,2]=4 810 B9R1.15 NC1=C(C=O)C=CN=C1 A12878 [0,1,0,0,0,0|1,0,2]=4 811 B9R1.15 NC1=C(C=O)C=NC=C1 A9624 [0,1,0,0,0,0|1,0,2]=4 812 B9R1.15 NC1=C(CO)C=CC=C1 A7795 [0,1,0,0,0,0|0,0,0]=1 813 B9R1.15 NC1=C(CO)C=CC=N1 A12467 [0,1,0,0,0,0|1,0,0]=2 814 B9R1.15 NC1=CC=CN=C1CO A24069 [0,1,0,0,0,0|1,0,0]=2 815 B9R1.15 NCC1=C(Br)C=CC=C1 B36643 [0,1,0,0,0,0|1,0,0]=2 816 B9R1.15 NCC1=C(Br)C=CN=C1 B63849 [0,1,0,0,0,0|2,0,0]=3 817 B9R1.15 NCC1=C(Br)C=NC=C1 B36920 [0,1,0,0,0,0|2,0,0]=3 818 B9R1.15 NCC1=C(Cl)C=CC=C1 C46097 [0,1,0,0,0,0|1,0,0]=2 819 B9R1.15 NCC1=C(Cl)C=CC=C1 C46104 [0,1,0,0,0,0|1,0,0]=2 820 B9R1.15 NCC1=C(Cl)C=CC=N1 A14307 [0,1,0,0,0,0|2,0,0]=3 821 B9R1.15 NCC1=C(Cl)C=CC=N1 C29809 [0,1,0,0,0,0|2,0,0]=3 822 B9R1.15 NCC1=C(F)C=CC=C1 F26320 [0,1,0,0,0,0|1,0,0]=2 823 B9R1.15 NCC1=C(F)C=CC=N1 A12648 [0,1,0,0,0,0|2,0,0]=3 824 B9R1.15 NCC1=C(F)C=CC=N1 A1712 [0,1,0,0,0,0|2,0,0]=3 825 B9R1.15 NCC1=C(F)C=CC=N1 F61824 [0,1,0,0,0,0|2,0,0]=3 826 B9R1.15 NCC1=C(F)C=NC=C1 F9408 [0,1,0,0,0,0|2,0,0]=3 827 B9R1.15 NCC1=C(I)C=CC=C1 I36799 [0,1,0,0,0,0|1,0,0]=2 828 B9R1.15 NCC1=C(O)C=CC=C1 A38718 [0,1,0,0,0,0|1,0,0]=2 829 B9R1.15 NCC1=C(O)C=CC=C1 A46574 [0,1,0,0,0,0|1,0,0]=2 830 B9R1.15 NCC1=C(O)C=CC=N1 A43199 [0,1,0,0,0,0|2,0,0]=3 831 B9R1.15 NCC1=C(O)C=NC=C1 A43200 [0,1,0,0,0,0|2,0,0]=3 832 B9R1.15 NCC1=CC=CN=C1Cl A10464 [0,1,0,0,0,0|2,0,0]=3 833 B9R1.15 NCC1=CC=CN=C1F F43528 [0,1,0,0,0,0|2,0,0]=3 834 B9R1.15 NCC1=CC=NNC1=O A14522 [0,1,0,0,0,0|3,0,0]=4 835 B9R1.15 NCC1=NC=CN=C1Cl C25893 [0,1,0,0,0,0|3,0,0]=4 836 B9R1.15 NCC1=NC=CN=C1Cl C26687 [0,1,0,0,0,0|3,0,0]=4 837 B9R1.15 NNC1=C(Br)C=CC=C1 B39273 [0,1,0,0,0,0|2,0,0]=3 838 B9R1.15 NNC1=C(Br)C=NC=C1 B61571 [0,1,0,0,0,0|3,0,0]=4 839 B9R1.15 NNC1=C(Cl)C=CC=C1 C39274 [0,1,0,0,0,0|2,0,0]=3 840 B9R1.15 NNC1=C(Cl)C=CC=N1 C5118 [0,1,0,0,0,0|3,0,0]=4 841 B9R1.15 NNC1=C(F)C=CC=C1 F39286 [0,1,0,0,0,0|2,0,0]=3 842 B9R1.15 NNC1=C(F)C=CC=N1 F41082 [0,1,0,0,0,0|3,0,0]=4 843 B9R1.15 NNC1=C(I)C=CC=C1 K43028 [0,1,0,0,0,0|2,0,0]=3 844 B9R1.15 O=CC1=C(Br)C=CC=C1 B38420 [0,1,0,0,0,0|0,0,2]=3 845 B9R1.15 O=CC1=C(Br)C=CC=N1 B23547 [0,1,0,0,0,0|1,0,2]=4 846 B9R1.15 O=CC1=C(Br)C=NC=C1 B5403 [0,1,0,0,0,0|1,0,2]=4 847 B9R1.15 O=CC1=C(Cl)C=CC=C1 C67575 [0,1,0,0,0,0|0,0,2]=3 848 B9R1.15 O=CC1=C(Cl)C=CC=N1 C42298 [0,1,0,0,0,0|1,0,2]=4 849 B9R1.15 O=CC1=C(Cl)C=CN=C1 C4985 [0,1,0,0,0,0|1,0,2]=4 850 B9R1.15 O=CC1=C(Cl)C=NC=C1 C42297 [0,1,0,0,0,0|1,0,2]=4 851 B9R1.15 O=CC1=C(F)C=CC=C1 F68099 [0,1,0,0,0,0|0,0,2]=3 852 B9R1.15 O=CC1=C(F)C=CC=N1 F12613 [0,1,0,0,0,0|1,0,2]=4 853 B9R1.15 O=CC1=C(F)C=NC=C1 F12612 [0,1,0,0,0,0|1,0,2]=4 854 B9R1.15 O=CC1=C(I)C=CC=C1 I0665 [0,1,0,0,0,0|0,0,2]=3 855 B9R1.15 O=CC1=C(O)C=NC=C1 H67691 [0,1,0,0,0,0|1,0,2]=4 856 B9R1.15 O=CC1=CC=CN=C1Br B67403 [0,1,0,0,0,0|1,0,2]=4 857 B9R1.15 O=CC1=CC=CN=C1Cl C3459 [0,1,0,0,0,0|1,0,2]=4 858 B9R1.15 O=CC1=CC=CN=C1F F2386 [0,1,0,0,0,0|1,0,2]=4 859 B9R1.15 O=CC1=CC=CNC1=O X42600 [0,1,0,0,0,0|1,0,2]=4 860 B9R1.15 O=CC1=NC=CC=C1O H14795 [0,1,0,0,0,0|1,0,2]=4 861 B9R1.15 OCC1=C(Br)C=CC=C1 B39402 [0,1,0,0,0,0|0,0,0]=1 862 B9R1.15 OCC1=C(Br)C=CC=N1 B42889 [0,1,0,0,0,0|1,0,0]=2 863 B9R1.15 OCC1=C(Br)C=NC=C1 B9966 [0,1,0,0,0,0|1,0,0]=2 864 B9R1.15 OCC1=C(Cl)C=CC=C1 C68885 [0,1,0,0,0,0|0,0,0]=1 865 B9R1.15 OCC1=C(Cl)C=CC=N1 C42910 [0,1,0,0,0,0|1,0,0]=2 866 B9R1.15 OCC1=C(Cl)C=CN=C1 C42911 [0,1,0,0,0,0|1,0,0]=2 867 B9R1.15 OCC1=C(Cl)C=CN=C1 C42915 [0,1,0,0,0,0|1,0,0]=2 868 B9R1.15 OCC1=C(F)C=CC=C1 F39407 [0,1,0,0,0,0|0,0,0]=1 869 B9R1.15 OCC1=C(F)C=CC=N1 F1706 [0,1,0,0,0,0|1,0,0]=2 870 B9R1.15 OCC1=C(F)C=CN=C1 F30083 [0,1,0,0,0,0|1,0,0]=2 871 B9R1.15 OCC1=C(F)C=NC=C1 F10404 [0,1,0,0,0,0|1,0,0]=2 872 B9R1.15 OCC1=C(I)C=CC=C1 K45967 [0,1,0,0,0,0|0,0,0]=1 873 B9R1.15 OCC1=C(O)C=CC=N1 H60848 [0,1,0,0,0,0|1,0,0]=2 874 B9R1.15 OCC1=CC=CN=C1Br B69414 [0,1,0,0,0,0|1,0,0]=2 875 B9R1.15 OCC1=CC=CN=C1Cl C0580 [0,1,0,0,0,0|1,0,0]=2 876 B9R1.15 OCC1=CC=CN=C1F F42930 [0,1,0,0,0,0|1,0,0]=2 877 B9R1.15 OCC1=NC=CN=C1Cl C1612 [0,1,0,0,0,0|2,0,0]=3 878 B9R2.50 C1=CC2=C(C=C1)CC2 B68912 [0,0,0,1,0,0|1,0,0]=2 879 B7R1.1 BrCC1=CSC=C1 B60823 [0,0,0,0,1,0|2,0,0]=3 880 B7R1.1 BrCC1=NC=CN1 B40117 [0,0,0,0,1,0|3,0,0]=4 881 B7R1.1 C#CC1=CC=CS1 E42371 [0,0,0,0,1,0|2,0,1]=4 882 B7R1.1 C#CC1=CSC=C1 E42372 [0,0,0,0,1,0|2,0,1]=4 883 B7R1.1 C=CC1=CC=CS1 V38168 [0,0,0,0,1,0|2,0,1]=4 884 B7R1.1 CCC1=NC=CN1 E68629 [0,0,0,0,1,0|3,0,0]=4 885 B7R1.1 COC1=CC=CS1 M41123 [0,0,0,0,1,0|3,0,0]=4 886 B7R1.1 COC1=CSC=C1 M41124 [0,0,0,0,1,0|3,0,0]=4 887 B7R1.1 ClCC1=CN=CS1 C32421 [0,0,0,0,1,0|3,0,0]=4 888 B7R1.1 ClCC1=CNC=N1 C2088 [0,0,0,0,1,0|3,0,0]=4 889 B7R1.1 ClCC1=CSC=N1 C2334 [0,0,0,0,1,0|3,0,0]=4 890 B7R1.1 ClCC1=NC=CO1 C40107 [0,0,0,0,1,0|3,0,0]=4 891 B7R1.1 N#CC1=CC=CN1 P0691 [0,0,0,0,1,0|2,0,1]=4 892 B7R1.1 N#CC1=CC=CO1 F40652 [0,0,0,0,1,0|2,0,1]=4 893 B7R1.1 N#CC1=CC=CS1 T40685 [0,0,0,0,1,0|2,0,1]=4 894 B7R1.1 N#CC1=CNC=C1 P40700 [0,0,0,0,1,0|2,0,1]=4 895 B7R1.1 N#CC1=CSC=C1 C12829 [0,0,0,0,1,0|2,0,1]=4 896 B7R1.1 NCC1=CC=CN1 P41359 [0,0,0,0,1,0|2,0,0]=3 897 B7R1.1 NCC1=CC=CS1 A12813 [0,0,0,0,1,0|2,0,0]=3 898 B7R1.1 NCC1=CC=NO1 K40323 [0,0,0,0,1,0|3,0,0]=4 899 B7R1.1 NCC1=CN=CN1 A69377 [0,0,0,0,1,0|3,0,0]=4 900 B7R1.1 NCC1=CN=CO1 X11178 [0,0,0,0,1,0|3,0,0]=4 901 B7R1.1 NCC1=CN=CO1 X17340 [0,0,0,0,1,0|3,0,0]=4 902 B7R1.1 NCC1=CN=CS1 T11225 [0,0,0,0,1,0|3,0,0]=4 903 B7R1.1 NCC1=CN=CS1 T37607 [0,0,0,0,1,0|3,0,0]=4 904 B7R1.1 NCC1=CN=CS1 T40190 [0,0,0,0,1,0|3,0,0]=4 905 B7R1.1 NCC1=CNC=C1 P26218 [0,0,0,0,1,0|2,0,0]=3 906 B7R1.1 NCC1=CNC=N1 K40332 [0,0,0,0,1,0|3,0,0]=4 907 B7R1.1 NCC1=CNN=C1 A10475 [0,0,0,0,1,0|3,0,0]=4 908 B7R1.1 NCC1=CNN=C1 P17334 [0,0,0,0,1,0|3,0,0]=4 909 B7R1.1 NCC1=CNN=C1 P20267 [0,0,0,0,1,0|3,0,0]=4 910 B7R1.1 NCC1=COC=N1 A40322 [0,0,0,0,1,0|3,0,0]=4 911 B7R1.1 NCC1=COC=N1 O7924 [0,0,0,0,1,0|3,0,0]=4 912 B7R1.1 NCC1=COC=N1 X11296 [0,0,0,0,1,0|3,0,0]=4 913 B7R1.1 NCC1=CON=C1 A14706 [0,0,0,0,1,0|3,0,0]=4 914 B7R1.1 NCC1=CON=C1 I29534 [0,0,0,0,1,0|3,0,0]=4 915 B7R1.1 NCC1=CSC=C1 T41357 [0,0,0,0,1,0|2,0,0]=3 916 B7R1.1 NCC1=CSC=N1 T13924 [0,0,0,0,1,0|3,0,0]=4 917 B7R1.1 NCC1=CSC=N1 T29521 [0,0,0,0,1,0|3,0,0]=4 918 B7R1.1 NCC1=NC=CN1 A14237 [0,0,0,0,1,0|3,0,0]=4 919 B7R1.1 NCC1=NC=CN1 K40331 [0,0,0,0,1,0|3,0,0]=4 920 B7R1.1 NCC1=NC=CS1 A11223 [0,0,0,0,1,0|3,0,0]=4 921 B7R1.1 NCC1=NC=CS1 T11224 [0,0,0,0,1,0|3,0,0]=4 922 B7R1.1 NCC1=NC=CS1 T24256 [0,0,0,0,1,0|3,0,0]=4 923 B7R1.1 NCC1=NNC=C1 P9792 [0,0,0,0,1,0|3,0,0]=4 924 B7R1.1 NCC1=NOC=C1 I29536 [0,0,0,0,1,0|3,0,0]=4 925 B7R1.1 NCC1=NOC=C1 I7943 [0,0,0,0,1,0|3,0,0]=4 926 B7R1.1 NCC1=NSC=C1 I15218 [0,0,0,0,1,0|3,0,0]=4 927 B7R1.1 O=CC1=CC=CN1 P64891 [0,0,0,0,1,0|1,0,2]=4 928 B7R1.1 O=CC1=CC=CS1 T68614 [0,0,0,0,1,0|1,0,2]=4 929 B7R1.1 O=CC1=CNC=C1 P25022 [0,0,0,0,1,0|1,0,2]=4 930 B7R1.1 O=CC1=COC=C1 F65465 [0,0,0,0,1,0|1,0,2]=4 931 B7R1.1 O=CC1=CSC=C1 T12697 [0,0,0,0,1,0|1,0,2]=4 932 B7R1.1 OCC1=CC=CS1 T12815 [0,0,0,0,1,0|1,0,0]=2 933 B7R1.1 OCC1=CC=NO1 K40159 [0,0,0,0,1,0|2,0,0]=3 934 B7R1.1 OCC1=CN=CN1 I14077 [0,0,0,0,1,0|2,0,0]=3 935 B7R1.1 OCC1=CN=CO1 X14033 [0,0,0,0,1,0|2,0,0]=3 936 B7R1.1 OCC1=CN=CS1 T2166 [0,0,0,0,1,0|2,0,0]=3 937 B7R1.1 OCC1=CNC=N1 H2067 [0,0,0,0,1,0|2,0,0]=3 938 B7R1.1 OCC1=CNN=C1 H1729 [0,0,0,0,1,0|2,0,0]=3 939 B7R1.1 OCC1=COC=C1 F41115 [0,0,0,0,1,0|1,0,0]=2 940 B7R1.1 OCC1=COC=N1 O7923 [0,0,0,0,1,0|2,0,0]=3 941 B7R1.1 OCC1=CON=C1 H14705 [0,0,0,0,1,0|2,0,0]=3 942 B7R1.1 OCC1=CSC=C1 T12827 [0,0,0,0,1,0|1,0,0]=2 943 B7R1.1 OCC1=CSC=N1 T2165 [0,0,0,0,1,0|2,0,0]=3 944 B7R1.1 OCC1=NC=CN1 I38716 [0,0,0,0,1,0|2,0,0]=3 945 B7R1.1 OCC1=NC=CO1 X14019 [0,0,0,0,1,0|2,0,0]=3 946 B7R1.1 OCC1=NC=CS1 H3028 [0,0,0,0,1,0|2,0,0]=3 947 B7R1.1 OCC1=NC=NN1 T39912 [0,0,0,0,1,0|3,0,0]=4 948 B7R1.1 OCC1=NNC=C1 H7696 [0,0,0,0,1,0|2,0,0]=3 949 B7R1.1 OCC1=NOC=C1 I11321 [0,0,0,0,1,0|2,0,0]=3 950 B7R1.1 OCC1CC=CC1 C11867 [0,0,0,0,1,0|0,0,3]=4 951 B7R1.1 OCN1C=CC=N1 P9800 [0,0,0,0,1,0|2,0,0]=3 952 B7R1.1 OCN1C=NC=N1 T39855 [0,0,0,0,1,0|3,0,0]=4 953 B6R0.6 C\C=C\C=C\CO H69109 [1,0,1,0,0,0|0,0,1]=3 954 B6R0.4 C=C\C=C/C(=O)O P41118 [1,0,1,0,0,0|1,0,0]=3 955 B6R1.1 C1=CC=CC=C1 B62491 [2,0,0,0,0,0|0,0,0]=2 956 B6R1.1 C1=CC=NC=C1 M38695 [2,0,0,0,0,0|1,0,0]=3 957 B6R1.1 C1=CC=NC=C1 P60750 [2,0,0,0,0,0|1,0,0]=3 958 B6R1.1 C1=CC=NC=C1 P60758 [2,0,0,0,0,0|1,0,0]=3 959 B6R1.1 C1=CC=NC=C1 P69056 [2,0,0,0,0,0|1,0,0]=3 960 B6R1.1 C1=CN=CC=N1 P39150 [2,0,0,0,0,0|2,0,0]=4 961 B6R1.1 C1=CN=NC=C1 P40319 [2,0,0,0,0,0|2,0,0]=4 962 B6R1.1 C1=CN=NC=C1 P67868 [2,0,0,0,0,0|2,0,0]=4 963 B8R1.3 BrC1=CC=C(I)C=C1 B39232 [1,1,0,0,0,0|1,0,0]=3 964 B8R1.3 BrC1=CN=C(Br)C=C1 D4497 [1,1,0,0,0,0|2,0,0]=4 965 B8R1.3 BrC1=CN=C(I)C=C1 B1586 [1,1,0,0,0,0|2,0,0]=4 966 B8R1.3 BrC1=NC=C(I)C=C1 B12390 [1,1,0,0,0,0|2,0,0]=4 967 B8R1.3 CC1=CC=C(C)N=N1 D43182 [1,1,0,0,0,0|2,0,0]=4 968 B8R1.3 CC1=CC=C(I)C=C1 K68149 [1,1,0,0,0,0|0,0,0]=2 969 B8R1.3 CC1=CC=C(N)N=N1 A0340 [1,1,0,0,0,0|2,0,0]=4 970 B8R1.3 CC1=CC=C([Mg+])C=C1 M31731 [1,1,0,0,0,0|0,0,0]=2 971 B8R1.3 CC1=CN=C(Br)C=C1 B4672 [1,1,0,0,0,0|1,0,0]=3 972 B8R1.3 CC1=CN=C(Br)C=N1 B14614 [1,1,0,0,0,0|2,0,0]=4 973 B8R1.3 CC1=CN=C(Br)N=C1 B67690 [1,1,0,0,0,0|2,0,0]=4 974 B8R1.3 CC1=CN=C(Cl)C=C1 C21968 [1,1,0,0,0,0|1,0,0]=3 975 B8R1.3 CC1=CN=C(Cl)C=N1 C40876 [1,1,0,0,0,0|2,0,0]=4 976 B8R1.3 CC1=CN=C(Cl)N=C1 C4929 [1,1,0,0,0,0|2,0,0]=4 977 B8R1.3 CC1=CN=C(F)C=C1 F22553 [1,1,0,0,0,0|1,0,0]=3 978 B8R1.3 CC1=CN=C(N)C=C1 M20542 [1,1,0,0,0,0|1,0,0]=3 979 B8R1.3 CC1=CN=C(N)C=N1 M14592 [1,1,0,0,0,0|2,0,0]=4 980 B8R1.3 CC1=CN=C(N)N=C1 A0080 [1,1,0,0,0,0|2,0,0]=4 981 B8R1.3 CC1=CN=C(N)N=C1 M38708 [1,1,0,0,0,0|2,0,0]=4 982 B8R1.3 CC1=CN=C(O)C=C1 M63706 [1,1,0,0,0,0|1,0,0]=3 983 B8R1.3 CC1=CNC(=O)C=C1 M68372 [1,1,0,0,0,0|1,0,0]=3 984 B8R1.3 CC1=CNC(=O)C=N1 M68091 [1,1,0,0,0,0|2,0,0]=4 985 B8R1.3 CC1=NC=C(Br)C=C1 B5402 [1,1,0,0,0,0|1,0,0]=3 986 B8R1.3 CC1=NC=C(Br)C=N1 B0659 [1,1,0,0,0,0|2,0,0]=4 987 B8R1.3 CC1=NC=C(Cl)C=C1 C42845 [1,1,0,0,0,0|1,0,0]=3 988 B8R1.3 CC1=NC=C(Cl)C=N1 C40879 [1,1,0,0,0,0|2,0,0]=4 989 B8R1.3 CC1=NC=C(F)C=C1 F1117 [1,1,0,0,0,0|1,0,0]=3 990 B8R1.3 CC1=NC=C(F)C=N1 F40883 [1,1,0,0,0,0|2,0,0]=4 991 B8R1.3 CC1=NC=C(I)C=C1 I36966 [1,1,0,0,0,0|1,0,0]=3 992 B8R1.3 CC1=NC=C(N)C=C1 A1121 [1,1,0,0,0,0|1,0,0]=3 993 B8R1.3 CC1=NC=C(N)C=N1 A10293 [1,1,0,0,0,0|2,0,0]=4 994 B8R1.3 CC1=NC=C(O)C=C1 H4553 [1,1,0,0,0,0|1,0,0]=3 995 B8R1.3 CC1=NC=C(O)C=N1 M23235 [1,1,0,0,0,0|2,0,0]=4 996 B8R1.3 CC1=NN=C(Br)C=C1 B10633 [1,1,0,0,0,0|2,0,0]=4 997 B8R1.3 CC1=NN=C(Cl)C=C1 C3219 [1,1,0,0,0,0|2,0,0]=4 998 B8R1.3 CC1=NN=C(I)C=C1 I10435 [1,1,0,0,0,0|2,0,0]=4 999 B8R1.3 CC1=NNC(=O)C=C1 M0242 [1,1,0,0,0,0|2,0,0]=4 1000 B8R1.3 CC1=NNC(=O)C=C1 M25029 [1,1,0,0,0,0|2,0,0]=4 1001 B8R1.3 CC1=NNC(=O)C=C1 M41309 [1,1,0,0,0,0|2,0,0]=4 1002 B8R1.3 ClC1=CC=C(I)C=C1 C67848 [1,1,0,0,0,0|1,0,0]=3 1003 B8R1.3 ClC1=CN=C(Br)C=C1 B4976 [1,1,0,0,0,0|2,0,0]=4 1004 B8R1.3 ClC1=CN=C(Cl)C=C1 D4510 [1,1,0,0,0,0|2,0,0]=4 1005 B8R1.3 ClC1=CN=C(I)C=C1 I4551 [1,1,0,0,0,0|2,0,0]=4 1006 B8R1.3 ClC1=NC=C(Br)C=C1 B3973 [1,1,0,0,0,0|2,0,0]=4 1007 B8R1.3 ClC1=NC=C(I)C=C1 C24918 [1,1,0,0,0,0|2,0,0]=4 1008 B8R1.3 FC1=CC=C(Br)C=C1 B39231 [1,1,0,0,0,0|1,0,0]=3 1009 B8R1.3 FC1=CC=C(I)C=C1 F39236 [1,1,0,0,0,0|1,0,0]=3 1010 B8R1.3 FC1=CC=C(S)C=C1 F42373 [1,1,0,0,0,0|0,1,0]=3 1011 B8R1.3 FC1=CC=C([Mg+])C=C1 F31733 [1,1,0,0,0,0|1,0,0]=3 1012 B8R1.3 FC1=CN=C(Br)C=C1 B40635 [1,1,0,0,0,0|2,0,0]=4 1013 B8R1.3 FC1=CN=C(Cl)C=C1 C40641 [1,1,0,0,0,0|2,0,0]=4 1014 B8R1.3 FC1=CN=C(F)C=C1 D40649 [1,1,0,0,0,0|2,0,0]=4 1015 B8R1.3 FC1=CN=C(I)C=C1 F38230 [1,1,0,0,0,0|2,0,0]=4 1016 B8R1.3 FC1=NC=C(Br)C=C1 B4730 [1,1,0,0,0,0|2,0,0]=4 1017 B8R1.3 FC1=NC=C(Cl)C=C1 C40644 [1,1,0,0,0,0|2,0,0]=4 1018 B8R1.3 FC1=NC=C(I)C=C1 F40650 [1,1,0,0,0,0|2,0,0]=4 1019 B8R1.3 IC1=CC=C(I)C=C1 D39237 [1,1,0,0,0,0|1,0,0]=3 1020 B8R1.3 NC1=CC=C(I)C=C1 K68110 [1,1,0,0,0,0|1,0,0]=3 1021 B8R1.3 NC1=CN=C(Br)C=C1 A4783 [1,1,0,0,0,0|2,0,0]=4 1022 B8R1.3 NC1=CN=C(Cl)C=C1 C39174 [1,1,0,0,0,0|2,0,0]=4 1023 B8R1.3 NC1=CN=C(F)C=C1 A12653 [1,1,0,0,0,0|2,0,0]=4 1024 B8R1.3 NC1=CN=C(I)C=C1 A40889 [1,1,0,0,0,0|2,0,0]=4 1025 B8R1.3 NC1=NC=C(Br)C=C1 A5382 [1,1,0,0,0,0|2,0,0]=4 1026 B8R1.3 NC1=NC=C(F)C=C1 A3607 [1,1,0,0,0,0|2,0,0]=4 1027 B8R1.3 NC1=NC=C(I)C=C1 K4516 [1,1,0,0,0,0|2,0,0]=4 1028 B8R1.3 NC1=NC=C(O)C=N1 A4017 [1,1,0,0,0,0|2,0,0]=4 1029 B8R1.3 O=C1C=CC(Cl)=CN1 C68182 [1,1,0,0,0,0|1,0,1]=4 1030 B8R1.3 O=C1C=CC(I)=CN1 K40860 [1,1,0,0,0,0|1,0,1]=4 1031 B8R1.3 O=C1C=CC(O)=CN1 H67757 [1,1,0,0,0,0|1,0,0]=3 1032 B8R1.3 OC1=CC=C(F)C=C1 F68080 [1,1,0,0,0,0|0,0,0]=2 1033 B8R1.3 OC1=CN=C(Br)C=C1 B0344 [1,1,0,0,0,0|1,0,0]=3 1034 B8R1.3 OC1=CN=C(Br)C=N1 B14598 [1,1,0,0,0,0|2,0,0]=4 1035 B8R1.3 OC1=CN=C(Br)N=C1 B7907 [1,1,0,0,0,0|2,0,0]=4 1036 B8R1.3 OC1=CN=C(Cl)C=C1 C4788 [1,1,0,0,0,0|1,0,0]=3 1037 B8R1.3 OC1=CN=C(Cl)C=N1 C38694 [1,1,0,0,0,0|2,0,0]=4 1038 B8R1.3 OC1=CN=C(Cl)N=C1 C0498 [1,1,0,0,0,0|2,0,0]=4 1039 B8R1.3 OC1=CN=C(F)C=C1 F5147 [1,1,0,0,0,0|1,0,0]=3 1040 B8R1.3 OC1=NC=C(Br)C=C1 B39171 [1,1,0,0,0,0|1,0,0]=3 1041 B8R1.3 OC1=NC=C(Br)C=C1 B39172 [1,1,0,0,0,0|1,0,0]=3 1042 B8R1.3 OC1=NC=C(Br)C=N1 B2618 [1,1,0,0,0,0|2,0,0]=4 1043 B8R1.3 OC1=NC=C(F)C=C1 F36674 [1,1,0,0,0,0|1,0,0]=3 1044 B8R1.3 OC1=NC=C(I)C=C1 K40858 [1,1,0,0,0,0|1,0,0]=3 1045 B8R1.3 OC1=NN=C(Cl)C=C1 C3188 [1,1,0,0,0,0|2,0,0]=4 1046 B8R1.3 SC1=CC=C(Br)C=C1 B60845 [1,1,0,0,0,0|0,1,0]=3 1047 B8R1.3 SC1=CC=C(S)C=C1 B63577 [1,1,0,0,0,0|0,1,0]=3 1048 B8R1.3 SC1=NC=C(Br)C=C1 B40822 [1,1,0,0,0,0|1,1,0]=4 1049 B8R1.3 [Mg+]C1=CC=C(Cl)C=C1 C31752 [1,1,0,0,0,0|1,0,0]=3 1050 B8R1.3 [O-][N+]1=CC=C(Br)C=C1 B40840 [1,1,0,0,0,0|1,0,1]=4 1051 B8R1.3 [O-][N+]1=CC=C(F)C=C1 F11009 [1,1,0,0,0,0|1,0,1]=4 1052 B8R1.4 BrC1=CC(Br)=NC=C1 D2494 [1,1,0,0,0,0|2,0,0]=4 1053 B8R1.4 BrC1=CC(I)=CN=C1 B22533 [1,1,0,0,0,0|2,0,0]=4 1054 B8R1.4 BrC1=CC=CC(Br)=N1 D24616 [1,1,0,0,0,0|2,0,0]=4 1055 B8R1.4 BrC1=CC=CC(I)=C1 B24425 [1,1,0,0,0,0|1,0,0]=3 1056 B8R1.4 BrC1=CC=CC(I)=N1 B40637 [1,1,0,0,0,0|2,0,0]=4 1057 B8R1.4 BrC1=CN=CC(Br)=C1 D2466 [1,1,0,0,0,0|2,0,0]=4 1058 B8R1.4 BrC1=NC=CC(I)=C1 B15186 [1,1,0,0,0,0|2,0,0]=4 1059 B8R1.4 CC1=CC(=O)NC=N1 M41027 [1,1,0,0,0,0|2,0,0]=4 1060 B8R1.4 CC1=CC(=O)NN=C1 M5789 [1,1,0,0,0,0|2,0,0]=4 1061 B8R1.4 CC1=CC(=S)NC=N1 M41054 [1,1,0,0,0,0|2,0,0]=4 1062 B8R1.4 CC1=CC(Br)=CN=C1 B10806 [1,1,0,0,0,0|1,0,0]=3 1063 B8R1.4 CC1=CC(Br)=NC=C1 B5404 [1,1,0,0,0,0|1,0,0]=3 1064 B8R1.4 CC1=CC(Br)=NC=N1 B40871 [1,1,0,0,0,0|2,0,0]=4 1065 B8R1.4 CC1=CC(C)=NC=N1 D7855 [1,1,0,0,0,0|2,0,0]=4 1066 B8R1.4 CC1=CC(Cl)=CN=C1 C22076 [1,1,0,0,0,0|1,0,0]=3 1067 B8R1.4 CC1=CC(Cl)=NC=C1 C4515 [1,1,0,0,0,0|1,0,0]=3 1068 B8R1.4 CC1=CC(Cl)=NC=N1 C11796 [1,1,0,0,0,0|2,0,0]=4 1069 B8R1.4 CC1=CC(Cl)=NN=C1 C2948 [1,1,0,0,0,0|2,0,0]=4 1070 B8R1.4 CC1=CC(F)=CN=C1 F42848 [1,1,0,0,0,0|1,0,0]=3 1071 B8R1.4 CC1=CC(N)=NC=C1 M67573 [1,1,0,0,0,0|1,0,0]=3 1072 B8R1.4 CC1=CC(N)=NC=N1 M8922 [1,1,0,0,0,0|2,0,0]=4 1073 B8R1.4 CC1=CC(O)=CN=C1 H23648 [1,1,0,0,0,0|1,0,0]=3 1074 B8R1.4 CC1=CC(O)=NC=C1 M18825 [1,1,0,0,0,0|1,0,0]=3 1075 B8R1.4 CC1=CC=CC(=O)N1 M23064 [1,1,0,0,0,0|1,0,0]=3 1076 B8R1.4 CC1=CC=CC(Br)=N1 B39267 [1,1,0,0,0,0|1,0,0]=3 1077 B8R1.4 CC1=CC=CC(Cl)=N1 C4547 [1,1,0,0,0,0|1,0,0]=3 1078 B8R1.4 CC1=CC=CC(F)=N1 F39268 [1,1,0,0,0,0|1,0,0]=3 1079 B8R1.4 CC1=CC=CC(I)=C1 K68735 [1,1,0,0,0,0|0,0,0]=2 1080 B8R1.4 CC1=CC=CC(I)=N1 K42850 [1,1,0,0,0,0|1,0,0]=3 1081 B8R1.4 CC1=CC=CC(N)=N1 A13755 [1,1,0,0,0,0|1,0,0]=3 1082 B8R1.4 CC1=CC=CC(S)=N1 M38177 [1,1,0,0,0,0|1,0,0]=3 1083 B8R1.4 CC1=CC=CC([Mg+])=C1 M31730 [1,1,0,0,0,0|0,0,0]=2 1084 B8R1.4 CC1=CC=NC(Br)=N1 B40870 [1,1,0,0,0,0|2,0,0]=4 1085 B8R1.4 CC1=CC=NC(C)=N1 D43181 [1,1,0,0,0,0|2,0,0]=4 1086 B8R1.4 CC1=CC=NC(Cl)=N1 C3497 [1,1,0,0,0,0|2,0,0]=4 1087 B8R1.4 CC1=CC=NC(I)=N1 I37139 [1,1,0,0,0,0|2,0,0]=4 1088 B8R1.4 CC1=CC=NC(N)=N1 M41141 [1,1,0,0,0,0|2,0,0]=4 1089 B8R1.4 CC1=CC=NC(O)=N1 M68180 [1,1,0,0,0,0|2,0,0]=4 1090 B8R1.4 CC1=CN=CC(Br)=N1 B38752 [1,1,0,0,0,0|2,0,0]=4 1091 B8R1.4 CC1=CN=CC(C)=N1 D69480 [1,1,0,0,0,0|2,0,0]=4 1092 B8R1.4 CC1=CN=CC(Cl)=N1 C37906 [1,1,0,0,0,0|2,0,0]=4 1093 B8R1.4 CC1=CN=CC(N)=C1 A4718 [1,1,0,0,0,0|1,0,0]=3 1094 B8R1.4 CC1=CN=CC(N)=N1 M41139 [1,1,0,0,0,0|2,0,0]=4 1095 B8R1.4 CC1=CN=CC(O)=N1 M67557 [1,1,0,0,0,0|2,0,0]=4 1096 B8R1.4 CC1=NC=CC(=O)N1 M41026 [1,1,0,0,0,0|2,0,0]=4 1097 B8R1.4 CC1=NC=CC(Br)=C1 B1746 [1,1,0,0,0,0|1,0,0]=3 1098 B8R1.4 CC1=NC=CC(Br)=N1 B32286 [1,1,0,0,0,0|2,0,0]=4 1099 B8R1.4 CC1=NC=CC(Cl)=C1 C42842 [1,1,0,0,0,0|1,0,0]=3 1100 B8R1.4 CC1=NC=CC(Cl)=N1 C11598 [1,1,0,0,0,0|2,0,0]=4 1101 B8R1.4 CC1=NC=CC(F)=C1 F67675 [1,1,0,0,0,0|1,0,0]=3 1102 B8R1.4 CC1=NC=CC(I)=C1 K42851 [1,1,0,0,0,0|1,0,0]=3 1103 B8R1.4 CC1=NC=CC(N)=C1 A12847 [1,1,0,0,0,0|1,0,0]=3 1104 B8R1.4 CC1=NC=CC(N)=N1 M9010 [1,1,0,0,0,0|2,0,0]=4 1105 B8R1.4 CC1=NC=CC(O)=C1 H1019 [1,1,0,0,0,0|1,0,0]=3 1106 B8R1.4 CC1=NC=CC(O)=N1 M69189 [1,1,0,0,0,0|2,0,0]=4 1107 B8R1.4 ClC1=CC(Br)=CN=C1 B5214 [1,1,0,0,0,0|2,0,0]=4 1108 B8R1.4 ClC1=CC(Br)=NC=C1 B2615 [1,1,0,0,0,0|2,0,0]=4 1109 B8R1.4 ClC1=CC(Cl)=NC=C1 D31097 [1,1,0,0,0,0|2,0,0]=4 1110 B8R1.4 ClC1=CC(I)=CN=C1 C40646 [1,1,0,0,0,0|2,0,0]=4 1111 B8R1.4 ClC1=CC(I)=NC=C1 C37780 [1,1,0,0,0,0|2,0,0]=4 1112 B8R1.4 ClC1=CC=CC(Br)=C1 B68310 [1,1,0,0,0,0|1,0,0]=3 1113 B8R1.4 ClC1=CC=CC(Br)=N1 B4770 [1,1,0,0,0,0|2,0,0]=4 1114 B8R1.4 ClC1=CC=CC(Cl)=N1 D69309 [1,1,0,0,0,0|2,0,0]=4 1115 B8R1.4 ClC1=CC=CC(I)=C1 C39234 [1,1,0,0,0,0|1,0,0]=3 1116 B8R1.4 ClC1=CC=CC(I)=N1 C36686 [1,1,0,0,0,0|2,0,0]=4 1117 B8R1.4 ClC1=CN=CC(Cl)=C1 D22607 [1,1,0,0,0,0|2,0,0]=4 1118 B8R1.4 ClC1=NC=CC(Br)=C1 B2879 [1,1,0,0,0,0|2,0,0]=4 1119 B8R1.4 ClC1=NC=CC(I)=C1 C2347 [1,1,0,0,0,0|2,0,0]=4 1120 B8R1.4 FC1=CC(Br)=CN=C1 B4562 [1,1,0,0,0,0|2,0,0]=4 1121 B8R1.4 FC1=CC(Br)=NC=C1 B4916 [1,1,0,0,0,0|2,0,0]=4 1122 B8R1.4 FC1=CC(Cl)=CN=C1 C40642 [1,1,0,0,0,0|2,0,0]=4 1123 B8R1.4 FC1=CC(Cl)=NC=C1 C40640 [1,1,0,0,0,0|2,0,0]=4 1124 B8R1.4 FC1=CC(F)=NC=C1 D12477 [1,1,0,0,0,0|2,0,0]=4 1125 B8R1.4 FC1=CC(I)=CN=C1 F40651 [1,1,0,0,0,0|2,0,0]=4 1126 B8R1.4 FC1=CC=CC(Br)=N1 B2593 [1,1,0,0,0,0|2,0,0]=4 1127 B8R1.4 FC1=CC=CC(Cl)=N1 C39168 [1,1,0,0,0,0|2,0,0]=4 1128 B8R1.4 FC1=CC=CC(F)=N1 D5153 [1,1,0,0,0,0|2,0,0]=4 1129 B8R1.4 FC1=CC=CC(I)=C1 F39235 [1,1,0,0,0,0|1,0,0]=3 1130 B8R1.4 FC1=CC=CC([Mg+])=C1 F31732 [1,1,0,0,0,0|1,0,0]=3 1131 B8R1.4 FC1=CN=CC(F)=C1 D2972 [1,1,0,0,0,0|2,0,0]=4 1132 B8R1.4 FC1=NC=CC(Br)=C1 B2295 [1,1,0,0,0,0|2,0,0]=4 1133 B8R1.4 FC1=NC=CC(Cl)=C1 C40643 [1,1,0,0,0,0|2,0,0]=4 1134 B8R1.4 FC1=NC=CC(I)=C1 F2382 [1,1,0,0,0,0|2,0,0]=4 1135 B8R1.4 IC1=CC=CC(I)=C1 D36613 [1,1,0,0,0,0|1,0,0]=3 1136 B8R1.4 IC1=CN=CC(I)=C1 D7814 [1,1,0,0,0,0|2,0,0]=4 1137 B8R1.4 NC1=CC(=O)NC=C1 A0052 [1,1,0,0,0,0|1,0,1]=4 1138 B8R1.4 NC1=CC(Br)=CN=C1 A4523 [1,1,0,0,0,0|2,0,0]=4 1139 B8R1.4 NC1=CC(Br)=NC=C1 A2493 [1,1,0,0,0,0|2,0,0]=4 1140 B8R1.4 NC1=CC(Cl)=CN=C1 C22457 [1,1,0,0,0,0|2,0,0]=4 1141 B8R1.4 NC1=CC(Cl)=NC=C1 A4859 [1,1,0,0,0,0|2,0,0]=4 1142 B8R1.4 NC1=CC(F)=CN=C1 F40881 [1,1,0,0,0,0|2,0,0]=4 1143 B8R1.4 NC1=CC(F)=NC=C1 A10494 [1,1,0,0,0,0|2,0,0]=4 1144 B8R1.4 NC1=CC(O)=CN=C1 A41024 [1,1,0,0,0,0|1,0,0]=3 1145 B8R1.4 NC1=CC(O)=CN=C1 A41394 [1,1,0,0,0,0|1,0,0]=3 1146 B8R1.4 NC1=CC(O)=NC=C1 A41022 [1,1,0,0,0,0|1,0,0]=3 1147 B8R1.4 NC1=CC(O)=NC=N1 A37595 [1,1,0,0,0,0|2,0,0]=4 1148 B8R1.4 NC1=CC=CC(Br)=N1 A1106 [1,1,0,0,0,0|2,0,0]=4 1149 B8R1.4 NC1=CC=CC(Cl)=N1 A1775 [1,1,0,0,0,0|2,0,0]=4 1150 B8R1.4 NC1=CC=CC(F)=N1 A40882 [1,1,0,0,0,0|2,0,0]=4 1151 B8R1.4 NC1=CC=CC(I)=C1 I37843 [1,1,0,0,0,0|1,0,0]=3 1152 B8R1.4 NC1=CC=CC(I)=N1 K40888 [1,1,0,0,0,0|2,0,0]=4 1153 B8R1.4 NC1=CC=CC(N)=N1 P69294 [1,1,0,0,0,0|2,0,0]=4 1154 B8R1.4 NC1=CC=CC(O)=N1 A3198 [1,1,0,0,0,0|1,0,0]=3 1155 B8R1.4 NC1=CN=CC(N)=C1 P41138 [1,1,0,0,0,0|2,0,0]=4 1156 B8R1.4 NC1=NC=CC(Br)=C1 A4983 [1,1,0,0,0,0|2,0,0]=4 1157 B8R1.4 NC1=NC=CC(Cl)=C1 A1518 [1,1,0,0,0,0|2,0,0]=4 1158 B8R1.4 NC1=NC=CC(F)=C1 A2971 [1,1,0,0,0,0|2,0,0]=4 1159 B8R1.4 NC1=NC=CC(I)=C1 A8059 [1,1,0,0,0,0|2,0,0]=4 1160 B8R1.4 NC1=NC=CC(O)=C1 A41020 [1,1,0,0,0,0|1,0,0]=3 1161 B8R1.4 O=C1C=C(Br)C=CN1 B11835 [1,1,0,0,0,0|1,0,1]=4 1162 B8R1.4 O=C1C=C(F)C=CN1 F32104 [1,1,0,0,0,0|1,0,1]=4 1163 B8R1.4 O=C1C=C(I)C=CN1 K40859 [1,1,0,0,0,0|1,0,1]=4 1164 B8R1.4 O=C1C=C(O)C=CN1 H69391 [1,1,0,0,0,0|1,0,0]=3 1165 B8R1.4 O=C1C=CC=C(Br)N1 B13719 [1,1,0,0,0,0|1,0,1]=4 1166 B8R1.4 O=C1C=CC=C(Cl)N1 C40846 [1,1,0,0,0,0|1,0,1]=4 1167 B8R1.4 OC1=CC(Br)=CN=C1 B13207 [1,1,0,0,0,0|1,0,0]=3 1168 B8R1.4 OC1=CC(Br)=NC=C1 B9469 [1,1,0,0,0,0|1,0,0]=3 1169 B8R1.4 OC1=CC(Br)=NC=N1 B40039 [1,1,0,0,0,0|2,0,0]=4 1170 B8R1.4 OC1=CC(Cl)=CN=C1 C40849 [1,1,0,0,0,0|1,0,0]=3 1171 B8R1.4 OC1=CC(Cl)=NC=C1 C4756 [1,1,0,0,0,0|1,0,0]=3 1172 B8R1.4 OC1=CC(F)=CN=C1 F40851 [1,1,0,0,0,0|1,0,0]=3 1173 B8R1.4 OC1=CC(O)=NC=C1 P61417 [1,1,0,0,0,0|1,0,0]=3 1174 B8R1.4 OC1=CC=CC(F)=C1 F69298 [1,1,0,0,0,0|0,0,0]=2 1175 B8R1.4 OC1=CC=CC(F)=N1 F40852 [1,1,0,0,0,0|1,0,0]=3 1176 B8R1.4 OC1=CC=CC(I)=C1 K42723 [1,1,0,0,0,0|0,0,0]=2 1177 B8R1.4 OC1=CC=NC(Cl)=N1 C24271 [1,1,0,0,0,0|2,0,0]=4 1178 B8R1.4 OC1=CN=CC(Cl)=N1 C40042 [1,1,0,0,0,0|2,0,0]=4 1179 B8R1.4 OC1=CN=CC(O)=C1 P28714 [1,1,0,0,0,0|1,0,0]=3 1180 B8R1.4 OC1=NC=CC(Cl)=C1 C40848 [1,1,0,0,0,0|1,0,0]=3 1181 B8R1.4 [Mg+]C1=CC=CC(Cl)=C1 C31751 [1,1,0,0,0,0|1,0,0]=3 1182 B8R1.4 [O-][N+]1=CC=CC(F)=C1 F0791 [1,1,0,0,0,0|1,0,1]=4 1183 B8R1.5 BrC1=C(Br)C=NC=C1 D37531 [1,1,0,0,0,0|2,0,0]=4 1184 B8R1.5 BrC1=C(I)C=CC=C1 B38417 [1,1,0,0,0,0|1,0,0]=3 1185 B8R1.5 BrC1=C(I)C=CC=N1 B40636 [1,1,0,0,0,0|2,0,0]=4 1186 B8R1.5 BrC1=C(I)C=CN=C1 B40638 [1,1,0,0,0,0|2,0,0]=4 1187 B8R1.5 BrC1=C(I)C=NC=C1 B38878 [1,1,0,0,0,0|2,0,0]=4 1188 B8R1.5 CC1=C(Br)C=CC=N1 B10407 [1,1,0,0,0,0|1,0,0]=3 1189 B8R1.5 CC1=C(Br)C=CN=C1 B10400 [1,1,0,0,0,0|1,0,0]=3 1190 B8R1.5 CC1=C(Br)C=NC=C1 B3515 [1,1,0,0,0,0|1,0,0]=3 1191 B8R1.5 CC1=C(Br)C=NC=N1 B14434 [1,1,0,0,0,0|2,0,0]=4 1192 B8R1.5 CC1=C(Cl)C=CC=N1 C42843 [1,1,0,0,0,0|1,0,0]=3 1193 B8R1.5 CC1=C(Cl)C=CN=C1 C68326 [1,1,0,0,0,0|1,0,0]=3 1194 B8R1.5 CC1=C(Cl)C=NC=C1 C42844 [1,1,0,0,0,0|1,0,0]=3 1195 B8R1.5 CC1=C(F)C=CC=N1 F69193 [1,1,0,0,0,0|1,0,0]=3 1196 B8R1.5 CC1=C(F)C=CN=C1 F43525 [1,1,0,0,0,0|1,0,0]=3 1197 B8R1.5 CC1=C(F)C=NC=C1 F3668 [1,1,0,0,0,0|1,0,0]=3 1198 B8R1.5 CC1=C(I)C=CC=C1 K67847 [1,1,0,0,0,0|0,0,0]=2 1199 B8R1.5 CC1=C(I)C=NC=N1 K40890 [1,1,0,0,0,0|2,0,0]=4 1200 B8R1.5 CC1=C(N)C=CN=C1 A4667 [1,1,0,0,0,0|1,0,0]=3 1201 B8R1.5 CC1=C(N)C=NC=C1 A14314 [1,1,0,0,0,0|1,0,0]=3 1202 B8R1.5 CC1=C(O)C=CC=N1 H10468 [1,1,0,0,0,0|1,0,0]=3 1203 B8R1.5 CC1=C(O)C=CN=C1 M43132 [1,1,0,0,0,0|1,0,0]=3 1204 B8R1.5 CC1=C(O)C=NC=C1 H12910 [1,1,0,0,0,0|1,0,0]=3 1205 B8R1.5 CC1=C([Mg+])C=CC=C1 M31729 [1,1,0,0,0,0|0,0,0]=2 1206 B8R1.5 CC1=CC=CN=C1Br B13771 [1,1,0,0,0,0|1,0,0]=3 1207 B8R1.5 CC1=CC=CN=C1C L68373 [1,1,0,0,0,0|1,0,0]=3 1208 B8R1.5 CC1=CC=CN=C1Cl C21969 [1,1,0,0,0,0|1,0,0]=3 1209 B8R1.5 CC1=CC=CN=C1F F42847 [1,1,0,0,0,0|1,0,0]=3 1210 B8R1.5 CC1=CC=CN=C1N M20541 [1,1,0,0,0,0|1,0,0]=3 1211 B8R1.5 CC1=CC=CNC1=O M68618 [1,1,0,0,0,0|1,0,0]=3 1212 B8R1.5 CC1=CC=NN=C1Cl C20457 [1,1,0,0,0,0|2,0,0]=4 1213 B8R1.5 CC1=CC=NN=C1Cl C2949 [1,1,0,0,0,0|2,0,0]=4 1214 B8R1.5 CC1=CC=NNC1=O M5790 [1,1,0,0,0,0|2,0,0]=4 1215 B8R1.5 CC1=CN=CN=C1Cl C24055 [1,1,0,0,0,0|2,0,0]=4 1216 B8R1.5 CC1=CN=CN=C1N A38299 [1,1,0,0,0,0|2,0,0]=4 1217 B8R1.5 CC1=CN=CN=C1O H41028 [1,1,0,0,0,0|2,0,0]=4 1218 B8R1.5 CC1=CN=NC=C1N M60072 [1,1,0,0,0,0|2,0,0]=4 1219 B8R1.5 CC1=NC=CN=C1Br B14599 [1,1,0,0,0,0|2,0,0]=4 1220 B8R1.5 CC1=NC=CN=C1Cl C14608 [1,1,0,0,0,0|2,0,0]=4 1221 B8R1.5 CC1=NC=CN=C1I I14601 [1,1,0,0,0,0|2,0,0]=4 1222 B8R1.5 CC1=NC=CN=C1N A14593 [1,1,0,0,0,0|2,0,0]=4 1223 B8R1.5 CC1=NC=CN=C1O H14600 [1,1,0,0,0,0|2,0,0]=4 1224 B8R1.5 CC1=NC=NC=C1N A14334 [1,1,0,0,0,0|2,0,0]=4 1225 B8R1.5 CN1C=CC=CC1=O M62252 [1,1,0,0,0,0|1,0,0]=3 1226 B8R1.5 C[N+]1=C(Cl)C=CC=C1 C39196 [1,1,0,0,0,0|1,0,0]=3 1227 B8R1.5 ClC1=C(Br)C=CC=C1 B67579 [1,1,0,0,0,0|1,0,0]=3 1228 B8R1.5 ClC1=C(Br)C=CC=N1 B9483 [1,1,0,0,0,0|2,0,0]=4 1229 B8R1.5 ClC1=C(Br)C=CN=C1 B3024 [1,1,0,0,0,0|2,0,0]=4 1230 B8R1.5 ClC1=C(Br)C=NC=C1 B23333 [1,1,0,0,0,0|2,0,0]=4 1231 B8R1.5 ClC1=C(Br)C=NC=C1 B5671 [1,1,0,0,0,0|2,0,0]=4 1232 B8R1.5 ClC1=C(Cl)C=NC=C1 D40639 [1,1,0,0,0,0|2,0,0]=4 1233 B8R1.5 ClC1=C(I)C=CC=C1 C39233 [1,1,0,0,0,0|1,0,0]=3 1234 B8R1.5 ClC1=C(I)C=CC=N1 C3030 [1,1,0,0,0,0|2,0,0]=4 1235 B8R1.5 ClC1=C(I)C=CN=C1 C40645 [1,1,0,0,0,0|2,0,0]=4 1236 B8R1.5 ClC1=C(I)C=NC=C1 C26241 [1,1,0,0,0,0|2,0,0]=4 1237 B8R1.5 ClC1=C(I)C=NC=C1 C40647 [1,1,0,0,0,0|2,0,0]=4 1238 B8R1.5 ClC1=CC=CN=C1Br B40634 [1,1,0,0,0,0|2,0,0]=4 1239 B8R1.5 ClC1=CC=CN=C1Cl D5123 [1,1,0,0,0,0|2,0,0]=4 1240 B8R1.5 ClC1=CC=CN=C1I C25332 [1,1,0,0,0,0|2,0,0]=4 1241 B8R1.5 FC1=C(Br)C=CC=C1 B42063 [1,1,0,0,0,0|1,0,0]=3 1242 B8R1.5 FC1=C(Br)C=CC=N1 B2291 [1,1,0,0,0,0|2,0,0]=4 1243 B8R1.5 FC1=C(Br)C=CN=C1 B7643 [1,1,0,0,0,0|2,0,0]=4 1244 B8R1.5 FC1=C(Br)C=NC=C1 B4918 [1,1,0,0,0,0|2,0,0]=4 1245 B8R1.5 FC1=C(Cl)C=CC=N1 C3434 [1,1,0,0,0,0|2,0,0]=4 1246 B8R1.5 FC1=C(Cl)C=CN=C1 C22665 [1,1,0,0,0,0|2,0,0]=4 1247 B8R1.5 FC1=C(Cl)C=CN=C1 C5574 [1,1,0,0,0,0|2,0,0]=4 1248 B8R1.5 FC1=C(F)C=NC=C1 D36882 [1,1,0,0,0,0|2,0,0]=4 1249 B8R1.5 FC1=C(I)C=CC=N1 F2381 [1,1,0,0,0,0|2,0,0]=4 1250 B8R1.5 FC1=C(I)C=CN=C1 F12620 [1,1,0,0,0,0|2,0,0]=4 1251 B8R1.5 FC1=CC=CN=C1Br B3502 [1,1,0,0,0,0|2,0,0]=4 1252 B8R1.5 FC1=CC=CN=C1Cl C3353 [1,1,0,0,0,0|2,0,0]=4 1253 B8R1.5 FC1=CC=CN=C1F D40648 [1,1,0,0,0,0|2,0,0]=4 1254 B8R1.5 FC1=CC=CN=C1I F10819 [1,1,0,0,0,0|2,0,0]=4 1255 B8R1.5 IC1=C(I)C=CC=C1 D38439 [1,1,0,0,0,0|1,0,0]=3 1256 B8R1.5 NC1=C(Br)C=CC=N1 A12591 [1,1,0,0,0,0|2,0,0]=4 1257 B8R1.5 NC1=C(Br)C=CN=C1 A8893 [1,1,0,0,0,0|2,0,0]=4 1258 B8R1.5 NC1=C(Br)C=NC=C1 A40869 [1,1,0,0,0,0|2,0,0]=4 1259 B8R1.5 NC1=C(Cl)C=CC=N1 A3433 [1,1,0,0,0,0|2,0,0]=4 1260 B8R1.5 NC1=C(Cl)C=CN=C1 A22240 [1,1,0,0,0,0|2,0,0]=4 1261 B8R1.5 NC1=C(Cl)C=NC=C1 A8881 [1,1,0,0,0,0|2,0,0]=4 1262 B8R1.5 NC1=C(F)C=CC=C1 F66698 [1,1,0,0,0,0|1,0,0]=3 1263 B8R1.5 NC1=C(F)C=CC=N1 A37908 [1,1,0,0,0,0|2,0,0]=4 1264 B8R1.5 NC1=C(F)C=NC=C1 A2815 [1,1,0,0,0,0|2,0,0]=4 1265 B8R1.5 NC1=C(I)C=CC=C1 K67831 [1,1,0,0,0,0|1,0,0]=3 1266 B8R1.5 NC1=C(I)C=CC=N1 I0599 [1,1,0,0,0,0|2,0,0]=4 1267 B8R1.5 NC1=C(I)C=CN=C1 I12632 [1,1,0,0,0,0|2,0,0]=4 1268 B8R1.5 NC1=C(I)C=NC=C1 A3436 [1,1,0,0,0,0|2,0,0]=4 1269 B8R1.5 NC1=C(N)C=NC=C1 P24217 [1,1,0,0,0,0|2,0,0]=4 1270 B8R1.5 NC1=C(O)C=CC=N1 A31053 [1,1,0,0,0,0|1,0,0]=3 1271 B8R1.5 NC1=C(O)C=CN=C1 A4768 [1,1,0,0,0,0|1,0,0]=3 1272 B8R1.5 NC1=C(O)C=NC=C1 A38212 [1,1,0,0,0,0|1,0,0]=3 1273 B8R1.5 NC1=C(O)C=NC=C1 A62454 [1,1,0,0,0,0|1,0,0]=3 1274 B8R1.5 NC1=C(O)C=NC=N1 A40129 [1,1,0,0,0,0|2,0,0]=4 1275 B8R1.5 NC1=C(S)C=NC=C1 A21808 [1,1,0,0,0,0|1,1,0]=4 1276 B8R1.5 NC1=CC=CN=C1Br A4535 [1,1,0,0,0,0|2,0,0]=4 1277 B8R1.5 NC1=CC=CN=C1Cl C0716 [1,1,0,0,0,0|2,0,0]=4 1278 B8R1.5 NC1=CC=CN=C1F F9484 [1,1,0,0,0,0|2,0,0]=4 1279 B8R1.5 NC1=CC=CN=C1I K40887 [1,1,0,0,0,0|2,0,0]=4 1280 B8R1.5 NC1=CC=CN=C1O A0666 [1,1,0,0,0,0|1,0,0]=3 1281 B8R1.5 NC1=CC=CNC1=S A23408 [1,1,0,0,0,0|1,1,0]=4 1282 B8R1.5 NC1=CNC=CC1=O A41025 [1,1,0,0,0,0|1,0,1]=4 1283 B8R1.5 O=C1C=COC=C1O H23906 [1,1,0,0,0,0|1,0,0]=3 1284 B8R1.5 O=C1NC=CC=C1Br B12634 [1,1,0,0,0,0|1,0,1]=4 1285 B8R1.5 O=C1NC=NC=C1O H40075 [1,1,0,0,0,0|2,0,0]=4 1286 B8R1.5 O=C1NC=NC=C1O H40320 [1,1,0,0,0,0|2,0,0]=4 1287 B8R1.5 O=C1OC=CC=C1O H39075 [1,1,0,0,0,0|1,0,0]=3 1288 B8R1.5 OC1=C(Br)C=CN=C1 B37993 [1,1,0,0,0,0|1,0,0]=3 1289 B8R1.5 OC1=C(Br)C=NC=N1 B0421 [1,1,0,0,0,0|2,0,0]=4 1290 B8R1.5 OC1=C(Br)C=NN=C1 B62949 [1,1,0,0,0,0|2,0,0]=4 1291 B8R1.5 OC1=C(Cl)C=CC=N1 C40847 [1,1,0,0,0,0|1,0,0]=3 1292 B8R1.5 OC1=C(Cl)C=CN=C1 C36961 [1,1,0,0,0,0|1,0,0]=3 1293 B8R1.5 OC1=C(Cl)C=NC=C1 C39064 [1,1,0,0,0,0|1,0,0]=3 1294 B8R1.5 OC1=C(Cl)C=NN=C1 C37229 [1,1,0,0,0,0|2,0,0]=4 1295 B8R1.5 OC1=C(F)C=CC=C1 F60817 [1,1,0,0,0,0|0,0,0]=2 1296 B8R1.5 OC1=C(F)C=CC=N1 F40853 [1,1,0,0,0,0|1,0,0]=3 1297 B8R1.5 OC1=C(F)C=NC=C1 F22449 [1,1,0,0,0,0|1,0,0]=3 1298 B8R1.5 OC1=C(I)C=CC=C1 K68101 [1,1,0,0,0,0|0,0,0]=2 1299 B8R1.5 OC1=C(I)C=CC=N1 K40856 [1,1,0,0,0,0|1,0,0]=3 1300 B8R1.5 OC1=C(I)C=CN=C1 I38060 [1,1,0,0,0,0|1,0,0]=3 1301 B8R1.5 OC1=C(I)C=NC=C1 K40857 [1,1,0,0,0,0|1,0,0]=3 1302 B8R1.5 OC1=CC=CN=C1Br B12744 [1,1,0,0,0,0|1,0,0]=3 1303 B8R1.5 OC1=CC=CN=C1Cl C10469 [1,1,0,0,0,0|1,0,0]=3 1304 B8R1.5 OC1=CC=CN=C1F F40850 [1,1,0,0,0,0|1,0,0]=3 1305 B8R1.5 OC1=CC=CN=C1I H23528 [1,1,0,0,0,0|1,0,0]=3 1306 B8R1.5 OC1=NC=CN=C1Br B40038 [1,1,0,0,0,0|2,0,0]=4 1307 B8R1.5 OC1=NC=CN=C1O P40073 [1,1,0,0,0,0|2,0,0]=4 1308 B8R1.5 SC1=C(Br)C=NC=C1 B67001 [1,1,0,0,0,0|1,1,0]=4 1309 B8R1.1 CC1=CC=C(CN)O1 M37131 [0,1,0,0,1,0|2,0,0]=4 1310 B8R1.1 CC1=CC=C(CO)O1 M43304 [0,1,0,0,1,0|1,0,0]=3 1311 B8R1.1 CC1=CN=C(CO)S1 M41173 [0,1,0,0,1,0|2,0,0]=4 1312 B8R1.1 CC1=NC=C(CO)O1 M37561 [0,1,0,0,1,0|2,0,0]=4 1313 B8R1.1 CC1=NC=C(CO)S1 M1967 [0,1,0,0,1,0|2,0,0]=4 1314 B8R1.1 CCC1=CC=C(C)S1 E43745 [0,1,0,0,1,0|2,0,0]=4 1315 B8R1.1 CN1C=C(CO)C=N1 M10343 [0,1,0,0,1,0|2,0,0]=4 1316 B8R1.1 CN1C=CC(CO)=N1 M9953 [0,1,0,0,1,0|2,0,0]=4 1317 B8R1.1 CN1C=NC(CO)=C1 M12982 [0,1,0,0,1,0|2,0,0]=4 1318 B8R1.1 ClCC1=CC=C(Cl)S1 C40699 [0,1,0,0,1,0|2,0,0]=4 1319 B8R1.1 NC1=NC(CO)=CS1 A40186 [0,1,0,0,1,0|2,0,0]=4 1320 B8R1.1 NC1=NC=C(CO)S1 A40187 [0,1,0,0,1,0|2,0,0]=4 1321 B8R1.1 NC1=NNC(CO)=C1 A14738 [0,1,0,0,1,0|2,0,0]=4 1322 B8R1.1 NCC1=CC(Br)=CS1 B41112 [0,1,0,0,1,0|2,0,0]=4 1323 B8R1.1 NCC1=CC=C(Br)S1 A12757 [0,1,0,0,1,0|2,0,0]=4 1324 B8R1.1 NCC1=CC=C(Cl)S1 A12836 [0,1,0,0,1,0|2,0,0]=4 1325 B8R1.1 NCC1=CC=C(Cl)S1 C27089 [0,1,0,0,1,0|2,0,0]=4 1326 B8R1.1 NCC1=CC=C(F)S1 F8124 [0,1,0,0,1,0|2,0,0]=4 1327 B8R1.1 NCC1=CSC(Br)=C1 B16484 [0,1,0,0,1,0|2,0,0]=4 1328 B8R1.1 NCC1=CSC(Cl)=C1 C7665 [0,1,0,0,1,0|2,0,0]=4 1329 B8R1.1 O=C1C=C(CO)CO1 H1535 [0,1,0,0,1,0|1,0,1]=4 1330 B8R1.1 OCC1=CC(Br)=CS1 B12759 [0,1,0,0,1,0|1,0,0]=3 1331 B8R1.1 OCC1=CC(Br)=NO1 B2177 [0,1,0,0,1,0|2,0,0]=4 1332 B8R1.1 OCC1=CC(Cl)=CS1 C7722 [0,1,0,0,1,0|1,0,0]=3 1333 B8R1.1 OCC1=CC=C(Br)S1 B12756 [0,1,0,0,1,0|1,0,0]=3 1334 B8R1.1 OCC1=CC=C(Br)S1 B41016 [0,1,0,0,1,0|1,0,0]=3 1335 B8R1.1 OCC1=CC=C(Cl)S1 C1567 [0,1,0,0,1,0|1,0,0]=3 1336 B8R1.1 OCC1=CC=C(F)S1 F8123 [0,1,0,0,1,0|1,0,0]=3 1337 B8R1.1 OCC1=CN=C(Br)S1 B2127 [0,1,0,0,1,0|2,0,0]=4 1338 B8R1.1 OCC1=CN=C(Cl)S1 C2061 [0,1,0,0,1,0|2,0,0]=4 1339 B8R1.1 OCC1=COC(Br)=N1 B3572 [0,1,0,0,1,0|2,0,0]=4 1340 B8R1.1 OCC1=CSC(Br)=N1 B2126 [0,1,0,0,1,0|2,0,0]=4 1341 B8R1.1 OCC1=CSC(Cl)=C1 C7721 [0,1,0,0,1,0|1,0,0]=3 1342 B8R1.1 OCC1=CSC(Cl)=N1 C2782 [0,1,0,0,1,0|2,0,0]=4 1343 B8R1.1 OCC1=NC(Br)=CN1 B32450 [0,1,0,0,1,0|2,0,0]=4 1344 B8R1.1 OCC1=NC(Br)=CS1 B10817 [0,1,0,0,1,0|2,0,0]=4 1345 B8R1.1 OCC1=NC=C(Br)S1 B10575 [0,1,0,0,1,0|2,0,0]=4 1346 B8R1.1 OCC1=NC=C(Cl)S1 C13054 [0,1,0,0,1,0|2,0,0]=4 1347 B8R1.7 CC(C)C1=CC=CO1 P43710 [0,1,0,0,1,0|2,0,0]=4 1348 B8R1.7 C[C@@H](N)C1=CC=CS1 T43397 [0,1,0,0,1,0|2,0,0]=4 1349 B8R1.7 C[C@@H](O)C1=CC=CO1 F43302 [0,1,0,0,1,0|1,0,0]=3 1350 B8R1.7 C[C@H](N)C1=CC=CS1 T43555 [0,1,0,0,1,0|2,0,0]=4 1351 B8R1.7 O=C(O)C1=CC=CN1 P24658 [0,1,0,0,1,0|1,0,1]=4 1352 B8R1.7 O=C(O)C1=CC=CO1 F38499 [0,1,0,0,1,0|1,0,1]=4 1353 B8R1.7 O=C(O)C1=CC=CS1 T69312 [0,1,0,0,1,0|1,0,1]=4 1354 B8R1.7 O=C(O)C1=COC=C1 F14351 [0,1,0,0,1,0|1,0,1]=4 1355 B8R1.7 O=C(O)C1=CSC=C1 T12825 [0,1,0,0,1,0|1,0,1]=4 1356 B8R1.7 OB(O)C1=CC=CO1 F3580 [0,1,0,0,1,0|2,0,0]=4 1357 B8R1.7 OB(O)C1=COC=C1 F3600 [0,1,0,0,1,0|2,0,0]=4 1358 B8R1.7 OB(O)C1=CSC=C1 T5200 [0,1,0,0,1,0|2,0,0]=4 1359 B8R1.8 CCCC1=CC=CS1 P43744 [0,1,0,0,1,0|2,0,0]=4 1360 B8R1.8 CNCC1=CC=CS1 M43398 [0,1,0,0,1,0|2,0,0]=4 1361 B8R1.8 CNCC1=CSC=C1 M43396 [0,1,0,0,1,0|2,0,0]=4 1362 B8R1.8 COCN1C=CN=C1 M41195 [0,1,0,0,1,0|2,0,0]=4 1363 B8R1.8 N#CCC1=CC=CS1 T39260 [0,1,0,0,1,0|2,0,0]=4 1364 B8R1.8 N#CCC1=CSC=C1 T12833 [0,1,0,0,1,0|2,0,0]=4 1365 B8R1.8 NCCC1=CC=CS1 T12818 [0,1,0,0,1,0|2,0,0]=4 1366 B8R1.8 NCCC1=CSC=C1 T1049 [0,1,0,0,1,0|2,0,0]=4 1367 B8R1.8 NCCC1=CSC=C1 T10491 [0,1,0,0,1,0|2,0,0]=4 1368 B8R1.8 NCCN1C=CC=C1 P41427 [0,1,0,0,1,0|2,0,0]=4 1369 B8R1.8 NNCC1=CC=CS1 H13973 [0,1,0,0,1,0|2,0,0]=4 1370 B8R1.8 NNCC1=CSC=C1 H13972 [0,1,0,0,1,0|2,0,0]=4 1371 B8R1.8 OCCC1=CC=CS1 T12817 [0,1,0,0,1,0|1,0,0]=3 1372 B8R1.8 OCCC1=CN=CN1 K41362 [0,1,0,0,1,0|2,0,0]=4 1373 B8R1.8 OCCC1=CNC=N1 I10449 [0,1,0,0,1,0|2,0,0]=4 1374 B8R1.8 OCCC1=CNN=C1 P41192 [0,1,0,0,1,0|2,0,0]=4 1375 B8R1.8 OCCC1=CSC=C1 T12832 [0,1,0,0,1,0|1,0,0]=3 1376 B8R1.8 OCCN1C=CC=N1 P41188 [0,1,0,0,1,0|2,0,0]=4 1377 B8R1.8 OCCN1C=CN=C1 K41193 [0,1,0,0,1,0|2,0,0]=4 1378 B8R1.11 BrCC1=C(Br)SC=C1 B7575 [0,1,0,0,1,0|2,0,0]=4 1379 B8R1.11 CC1=C(CO)NC=N1 H2822 [0,1,0,0,1,0|2,0,0]=4 1380 B8R1.11 CC1=CNN=C1CO M63844 [0,1,0,0,1,0|2,0,0]=4 1381 B8R1.11 CN1C=CC=C1CN M41429 [0,1,0,0,1,0|2,0,0]=4 1382 B8R1.11 CN1C=CN=C1CO M41198 [0,1,0,0,1,0|2,0,0]=4 1383 B8R1.11 CN1C=NC=C1CO H14300 [0,1,0,0,1,0|2,0,0]=4 1384 B8R1.11 ClCC1=C(Cl)SC=C1 C37492 [0,1,0,0,1,0|2,0,0]=4 1385 B8R1.11 NCC1=C(Cl)C=CS1 A7919 [0,1,0,0,1,0|2,0,0]=4 1386 B8R1.11 OCC1=C(Br)C=CS1 B14083 [0,1,0,0,1,0|1,0,0]=3 1387 B8R1.11 OCC1=C(Br)N=CS1 B38277 [0,1,0,0,1,0|2,0,0]=4 1388 B8R1.11 OCC1=C(Br)SC=C1 B41017 [0,1,0,0,1,0|1,0,0]=3 1389 B8R1.11 OCC1=C(Cl)C=CS1 C11289 [0,1,0,0,1,0|1,0,0]=3 1390 B10R1.1 CC1=CC=C(CC#N)C=C1 M39574 [0,2,0,0,0,0|1,0,0]=3 1391 B10R1.1 CC1=CC=C(CCBr)C=C1 B0463 [0,2,0,0,0,0|1,0,0]=3 1392 B10R1.1 CC1=CC=C(CCO)C=C1 T50265 [0,2,0,0,0,0|0,0,0]=2 1393 B10R1.1 CC1=CC=C(CC[Mg+])C=C1 M31724 [0,2,0,0,0,0|1,0,0]=3 1394 B10R1.1 CC1=CC=C(CNN)C=C1 M49662 [0,2,0,0,0,0|1,0,0]=3 1395 B10R1.1 CC1=CN=C(CC#N)C=C1 M48792 [0,2,0,0,0,0|2,0,0]=4 1396 B10R1.1 CC1=NC=C(CCO)C=C1 M15913 [0,2,0,0,0,0|1,0,0]=3 1397 B10R1.1 CCCC1=CC=C(Br)C=C1 B39542 [0,2,0,0,0,0|1,0,0]=3 1398 B10R1.1 CCCC1=CC=C(N)C=C1 P68566 [0,2,0,0,0,0|1,0,0]=3 1399 B10R1.1 CCCC1=CC=C([Mg+])C=C1 P31760 [0,2,0,0,0,0|1,0,0]=3 1400 B10R1.1 CCNC1=CC=C(F)C=C1 E46759 [0,2,0,0,0,0|1,0,0]=3 1401 B10R1.1 CCOC1=CC=C(I)C=C1 E49468 [0,2,0,0,0,0|1,0,0]=3 1402 B10R1.1 CCOC1=CC=C(O)C=C1 E68898 [0,2,0,0,0,0|1,0,0]=3 1403 B10R1.1 CCOC1=CC=C([Mg+])C=C1 E31767 [0,2,0,0,0,0|1,0,0]=3 1404 B10R1.1 CCOC1=CN=C(Br)C=C1 B46151 [0,2,0,0,0,0|2,0,0]=4 1405 B10R1.1 CCOC1=CN=C(Cl)C=C1 C46184 [0,2,0,0,0,0|2,0,0]=4 1406 B10R1.1 CCOC1=CN=C(N)C=C1 E43625 [0,2,0,0,0,0|2,0,0]=4 1407 B10R1.1 CCOC1=NC=C(Br)C=C1 B4568 [0,2,0,0,0,0|2,0,0]=4 1408 B10R1.1 CCOC1=NC=C(I)C=C1 E46226 [0,2,0,0,0,0|2,0,0]=4 1409 B10R1.1 CCSC1=CC=C([Mg+])C=C1 E31791 [0,2,0,0,0,0|1,0,0]=3 1410 B10R1.1 CNCC1=CC=C(Br)C=C1 B46738 [0,2,0,0,0,0|1,0,0]=3 1411 B10R1.1 CNCC1=CC=C(Br)C=C1 M46740 [0,2,0,0,0,0|1,0,0]=3 1412 B10R1.1 CNCC1=CC=C(C)C=C1 M50315 [0,2,0,0,0,0|1,0,0]=3 1413 B10R1.1 CNCC1=CC=C(C)C=C1 M52163 [0,2,0,0,0,0|1,0,0]=3 1414 B10R1.1 CNCC1=CC=C(Cl)C=C1 C46755 [0,2,0,0,0,0|1,0,0]=3 1415 B10R1.1 CNCC1=CC=C(Cl)C=C1 M46757 [0,2,0,0,0,0|1,0,0]=3 1416 B10R1.1 COCC1=CC=C(N)C=C1 M46895 [0,2,0,0,0,0|0,0,0]=2 1417 B10R1.1 COCC1=NC=C(Br)C=N1 B20026 [0,2,0,0,0,0|2,0,0]=4 1418 B10R1.1 ClC1=CC=C(C#CI)C=C1 C1891 [0,2,0,0,0,0|1,0,1]=4 1419 B10R1.1 ClC1=CC=C(CCBr)C=C1 B48760 [0,2,0,0,0,0|1,0,0]=3 1420 B10R1.1 FC1=CC=C(C#CI)C=C1 F1901 [0,2,0,0,0,0|1,0,1]=4 1421 B10R1.1 FC1=CC=C(CCBr)C=C1 B13769 [0,2,0,0,0,0|1,0,0]=3 1422 B10R1.1 FC1=CC=C(CC[Mg+])C=C1 F31725 [0,2,0,0,0,0|1,0,0]=3 1423 B10R1.1 N#CCC1=CC=C(Cl)C=C1 C69078 [0,2,0,0,0,0|1,0,0]=3 1424 B10R1.1 N#CCC1=CC=C(I)C=C1 K47988 [0,2,0,0,0,0|1,0,0]=3 1425 B10R1.1 N#CCC1=CC=C(N)C=C1 A67449 [0,2,0,0,0,0|1,0,0]=3 1426 B10R1.1 N#CCC1=CC=C(O)C=C1 H68900 [0,2,0,0,0,0|1,0,0]=3 1427 B10R1.1 N#CCC1=CN=C(Cl)C=C1 C44776 [0,2,0,0,0,0|2,0,0]=4 1428 B10R1.1 N#CCC1=NC=C(Br)C=C1 B10483 [0,2,0,0,0,0|2,0,0]=4 1429 B10R1.1 N#CCC1=NC=C(Cl)C=C1 C44783 [0,2,0,0,0,0|2,0,0]=4 1430 B10R1.1 N#CCC1=NC=C(N)C=C1 A61010 [0,2,0,0,0,0|2,0,0]=4 1431 B10R1.1 NCCC1=CC=C(Cl)C=C1 C67656 [0,2,0,0,0,0|1,0,0]=3 1432 B10R1.1 NCCC1=CC=C(F)C=C1 F69101 [0,2,0,0,0,0|1,0,0]=3 1433 B10R1.1 NCCC1=NC=C(Br)C=C1 A1731 [0,2,0,0,0,0|2,0,0]=4 1434 B10R1.1 NNCC1=CC=C(Br)C=C1 B0093 [0,2,0,0,0,0|1,0,0]=3 1435 B10R1.1 NNCC1=CC=C(Br)C=C1 B12215 [0,2,0,0,0,0|1,0,0]=3 1436 B10R1.1 NNCC1=CC=C(Cl)C=C1 C0094 [0,2,0,0,0,0|1,0,0]=3 1437 B10R1.1 NNCC1=CC=C(Cl)C=C1 C10206 [0,2,0,0,0,0|1,0,0]=3 1438 B10R1.1 NNCC1=CC=C(F)C=C1 F0090 [0,2,0,0,0,0|1,0,0]=3 1439 B10R1.1 NOCC1=CC=C(Cl)C=C1 C64524 [0,2,0,0,0,0|0,0,0]=2 1440 B10R1.1 NOCC1=CC=C(F)C=C1 F46562 [0,2,0,0,0,0|0,0,0]=2 1441 B10R1.1 O=CCC1=CC=C(Br)C=C1 B48709 [0,2,0,0,0,0|0,0,1]=3 1442 B10R1.1 O=CCC1=CC=C(Cl)C=C1 C48725 [0,2,0,0,0,0|0,0,1]=3 1443 B10R1.1 OC1=CC=C(CCBr)C=C1 B49426 [0,2,0,0,0,0|1,0,0]=3 1444 B10R1.1 OCCC1=CC=C(Br)C=C1 B36776 [0,2,0,0,0,0|0,0,0]=2 1445 B10R1.1 OCCC1=CC=C(Cl)C=C1 C39522 [0,2,0,0,0,0|0,0,0]=2 1446 B10R1.1 OCCC1=CC=C(F)C=C1 F49459 [0,2,0,0,0,0|0,0,0]=2 1447 B10R1.1 OCCC1=CC=C(I)C=C1 K49469 [0,2,0,0,0,0|0,0,0]=2 1448 B10R1.1 OCCC1=CN=C(Cl)C=C1 C37718 [0,2,0,0,0,0|1,0,0]=3 1449 B10R1.1 OCCC1=NC=C(Br)C=C1 B7705 [0,2,0,0,0,0|1,0,0]=3 1450 B10R1.1 ON=CC1=CC=C(O)C=C1 H45817 [0,2,0,0,0,0|0,0,1]=3 1451 B10R1.1 O\N=C\C1=CC=C(F)C=C1 F64667 [0,2,0,0,0,0|0,0,1]=3 1452 B10R1.1 [Mg+]CCC1=CC=C(Cl)C=C1 C31726 [0,2,0,0,0,0|1,0,0]=3 1453 B10R1.3 BrCC1=CC=C(CBr)C=C1 B48752 [0,2,0,0,0,0|1,0,0]=3 1454 B10R1.3 C#CC1=CC=C(C#N)C=C1 E36850 [0,2,0,0,0,0|1,0,1]=4 1455 B10R1.3 C#CC1=CC=C(C=O)C=C1 E38050 [0,2,0,0,0,0|0,0,2]=4 1456 B10R1.3 C#CC1=CC=C(CC)C=C1 E52271 [0,2,0,0,0,0|1,0,0]=3 1457 B10R1.3 C#CC1=CC=C(CN)C=C1 E38189 [0,2,0,0,0,0|1,0,0]=3 1458 B10R1.3 C#CC1=CC=C(CO)C=C1 E51546 [0,2,0,0,0,0|0,0,0]=2 1459 B10R1.3 C#CC1=CC=C(OC)C=C1 E51542 [0,2,0,0,0,0|1,0,1]=4 1460 B10R1.3 C=CC1=CC=C(CO)C=C1 V32337 [0,2,0,0,0,0|0,0,0]=2 1461 B10R1.3 C=CC1=CC=C(OC)C=C1 M68575 [0,2,0,0,0,0|1,0,1]=4 1462 B10R1.3 CCC1=CC=C(NN)C=C1 E49533 [0,2,0,0,0,0|1,0,0]=3 1463 B10R1.3 CCC1=CC=C(OC)C=C1 E50270 [0,2,0,0,0,0|1,0,0]=3 1464 B10R1.3 CCC1=CN=C(C=O)C=C1 E49257 [0,2,0,0,0,0|2,0,0]=4 1465 B10R1.3 CNC1=CC=C(C#N)C=C1 M67463 [0,2,0,0,0,0|1,0,1]=4 1466 B10R1.3 COC1=CC=C(C#N)C=C1 M68579 [0,2,0,0,0,0|1,0,1]=4 1467 B10R1.3 COC1=CC=C(CN)C=C1 M4627 [0,2,0,0,0,0|1,0,0]=3 1468 B10R1.3 COC1=CC=C(CO)C=C1 M68895 [0,2,0,0,0,0|0,0,0]=2 1469 B10R1.3 COC1=CC=C(NN)C=C1 M46462 [0,2,0,0,0,0|2,0,0]=4 1470 B10R1.3 COC1=CC=C(OC)C=C1 D68896 [0,2,0,0,0,0|2,0,0]=4 1471 B10R1.3 COC1=CN=C(CCl)C=C1 C15224 [0,2,0,0,0,0|2,0,0]=4 1472 B10R1.3 COC1=CN=C(CO)C=C1 H15223 [0,2,0,0,0,0|1,0,0]=3 1473 B10R1.3 COC1=NC=C(CBr)C=C1 B37014 [0,2,0,0,0,0|2,0,0]=4 1474 B10R1.3 COC1=NC=C(CCl)C=C1 C46199 [0,2,0,0,0,0|2,0,0]=4 1475 B10R1.3 COC1=NC=C(CN)C=C1 A10463 [0,2,0,0,0,0|2,0,0]=4 1476 B10R1.3 COC1=NC=C(CN)C=C1 M29962 [0,2,0,0,0,0|2,0,0]=4 1477 B10R1.3 COC1=NC=C(CN)C=C1 M46593 [0,2,0,0,0,0|2,0,0]=4 1478 B10R1.3 COC1=NC=C(CO)C=C1 M0584 [0,2,0,0,0,0|1,0,0]=3 1479 B10R1.3 COC1=NC=C(CO)C=N1 M16831 [0,2,0,0,0,0|2,0,0]=4 1480 B10R1.3 COC1=NC=C(CO)N=C1 M61572 [0,2,0,0,0,0|2,0,0]=4 1481 B10R1.3 CSC1=CC=C(C=O)C=C1 M49157 [0,2,0,0,0,0|0,0,2]=4 1482 B10R1.3 CSC1=NC=C(CO)C=N1 M36801 [0,2,0,0,0,0|2,0,0]=4 1483 B10R1.3 N#CC1=CC=C(C#N)C=C1 B60782 [0,2,0,0,0,0|1,0,1]=4 1484 B10R1.3 N#CC1=CC=C(CBr)C=C1 C47942 [0,2,0,0,0,0|1,0,0]=3 1485 B10R1.3 N#CC1=CC=C(CCl)C=C1 C47959 [0,2,0,0,0,0|1,0,0]=3 1486 B10R1.3 N#CC1=CC=C(CN)C=C1 A37021 [0,2,0,0,0,0|1,0,0]=3 1487 B10R1.3 N#CC1=CC=C(CN)C=C1 A49611 [0,2,0,0,0,0|1,0,0]=3 1488 B10R1.3 N#CC1=CC=C(CO)C=C1 H48443 [0,2,0,0,0,0|0,0,0]=2 1489 B10R1.3 N#CC1=CC=C(NN)C=C1 H46544 [0,2,0,0,0,0|1,0,1]=4 1490 B10R1.3 N#CC1=CN=C(CBr)C=C1 B44748 [0,2,0,0,0,0|2,0,0]=4 1491 B10R1.3 N#CC1=CN=C(CCl)C=C1 C25620 [0,2,0,0,0,0|2,0,0]=4 1492 B10R1.3 N#CC1=CN=C(CO)C=C1 H45222 [0,2,0,0,0,0|1,0,0]=3 1493 B10R1.3 N#CC1=NC=C(CBr)C=C1 B44747 [0,2,0,0,0,0|2,0,0]=4 1494 B10R1.3 N#CC1=NC=C(CCl)C=C1 C44785 [0,2,0,0,0,0|2,0,0]=4 1495 B10R1.3 N#CC1=NC=C(CO)C=C1 H24396 [0,2,0,0,0,0|1,0,0]=3 1496 B10R1.3 NCC1=CC=C(CN)C=C1 P46958 [0,2,0,0,0,0|1,0,0]=3 1497 B10R1.3 NCC1=CC=C(CO)C=C1 A37992 [0,2,0,0,0,0|0,0,0]=2 1498 B10R1.3 O=CC1=CC=C(C=O)C=C1 T69290 [0,2,0,0,0,0|0,0,2]=4 1499 B10R1.3 O=CC1=CC=C(CBr)C=C1 B24021 [0,2,0,0,0,0|1,0,0]=3 1500 B10R1.3 O=CC1=CC=C(CCl)C=C1 C38746 [0,2,0,0,0,0|1,0,0]=3 1501 B10R1.3 O=CC1=CC=C(CO)C=C1 H49069 [0,2,0,0,0,0|0,0,0]=2 1502 B10R1.3 OCC1=CC=C(CBr)C=C1 B38754 [0,2,0,0,0,0|0,0,0]=2 1503 B10R1.3 OCC1=CC=C(CCl)C=C1 C49451 [0,2,0,0,0,0|0,0,0]=2 1504 B10R1.3 OCC1=CC=C(CO)C=C1 B68897 [0,2,0,0,0,0|0,0,0]=2 1505 B10R1.13 C=C(C)C1=CC=C(F)C=C1 F51670 [0,2,0,0,0,0|1,0,1]=4 1506 B10R1.13 C=C(C)C1=CC=C(O)C=C1 P49877 [0,2,0,0,0,0|1,0,1]=4 1507 B10R1.13 CC(=O)C1=CC=C(C)C=C1 M68572 [0,2,0,0,0,0|0,0,2]=4 1508 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 C68865 [0,2,0,0,0,0|0,0,2]=4 1509 B10R1.13 CC(=O)C1=CC=C(F)C=C1 F38426 [0,2,0,0,0,0|0,0,2]=4 1510 B10R1.13 CC(=O)C1=CC=C(I)C=C1 K39500 [0,2,0,0,0,0|0,0,2]=4 1511 B10R1.13 CC(=O)C1=CC=C(N)C=C1 A68181 [0,2,0,0,0,0|0,0,2]=4 1512 B10R1.13 CC(=O)C1=CC=C(O)C=C1 H64899 [0,2,0,0,0,0|0,0,2]=4 1513 B10R1.13 CC(C)C1=CC=C(Br)C=C1 B49963 [0,2,0,0,0,0|1,0,0]=3 1514 B10R1.13 CC(C)C1=CC=C(N)C=C1 P69319 [0,2,0,0,0,0|1,0,0]=3 1515 B10R1.13 CC(C)C1=CC=C(O)C=C1 P60863 [0,2,0,0,0,0|1,0,0]=3 1516 B10R1.13 CC(C)C1=CC=C([Mg+])C=C1 P31759 [0,2,0,0,0,0|1,0,0]=3 1517 B10R1.13 CC(C)C1=CN=C(Br)C=C1 B46728 [0,2,0,0,0,0|2,0,0]=4 1518 B10R1.13 CC(C)C1=CN=C(N)C=C1 P24474 [0,2,0,0,0,0|2,0,0]=4 1519 B10R1.13 CC(C)C1=NC=C(Br)C=C1 B32058 [0,2,0,0,0,0|2,0,0]=4 1520 B10R1.13 CC(C)C1=NC=C(N)C=C1 A12160 [0,2,0,0,0,0|2,0,0]=4 1521 B10R1.13 CC1=CC=C(B(O)O)C=C1 T5215 [0,2,0,0,0,0|1,0,0]=3 1522 B10R1.13 CC1=CC=C(C(=N)N)C=C1 M38078 [0,2,0,0,0,0|1,0,1]=4 1523 B10R1.13 CC1=CC=C(C(=O)O)C=C1 M64877 [0,2,0,0,0,0|0,0,1]=3 1524 B10R1.13 CC1=CC=C(C(C)C)C=C1 D60786 [0,2,0,0,0,0|1,0,0]=3 1525 B10R1.13 CC1=CC=C(C(N)=O)C=C1 M39514 [0,2,0,0,0,0|0,0,2]=4 1526 B10R1.13 CC1=CC=C([C@@H](C)N)C=C1 T52161 [0,2,0,0,0,0|1,0,0]=3 1527 B10R1.13 CC1=CC=C([C@@H](C)N)C=C1 T60511 [0,2,0,0,0,0|1,0,0]=3 1528 B10R1.13 CC1=CC=C([C@@H](C)O)C=C1 T50271 [0,2,0,0,0,0|0,0,0]=2 1529 B10R1.13 CC1=CC=C([S@](=O)[O-])C=C1 S38423 [0,2,0,0,0,0|1,0,1]=4 1530 B10R1.13 CC1=CC=C([S@](C)=O)C=C1 M65785 [0,2,0,0,0,0|1,0,1]=4 1531 B10R1.13 CC1=CC=C([S@](N)=O)C=C1 M36646 [0,2,0,0,0,0|1,0,1]=4 1532 B10R1.13 CC1=CN=C(C(=O)O)C=C1 M23707 [0,2,0,0,0,0|1,0,1]=4 1533 B10R1.13 CC1=CN=C(C(=O)O)C=C1 M46550 [0,2,0,0,0,0|1,0,1]=4 1534 B10R1.13 CC1=CN=C([C@H](C)N)C=C1 M49667 [0,2,0,0,0,0|2,0,0]=4 1535 B10R1.13 CC1=NC=C(B(O)O)C=C1 M24773 [0,2,0,0,0,0|2,0,0]=4 1536 B10R1.13 CC1=NC=C(C(=O)O)C=C1 M10933 [0,2,0,0,0,0|1,0,1]=4 1537 B10R1.13 CC1=NC=C([C@H](C)O)C=C1 H64312 [0,2,0,0,0,0|1,0,0]=3 1538 B10R1.13 CN(C)C1=CC=C(Cl)C=C1 C46751 [0,2,0,0,0,0|2,0,0]=4 1539 B10R1.13 CN(C)C1=CC=C(I)C=C1 K46770 [0,2,0,0,0,0|2,0,0]=4 1540 B10R1.13 CN(C)C1=CC=C([Mg+])C=C1 D31762 [0,2,0,0,0,0|2,0,0]=4 1541 B10R1.13 C[C@@H](N)C1=CC=C(Br)C=C1 B38580 [0,2,0,0,0,0|1,0,0]=3 1542 B10R1.13 C[C@@H](N)C1=CC=C(Cl)C=C1 C64533 [0,2,0,0,0,0|1,0,0]=3 1543 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 F46766 [0,2,0,0,0,0|1,0,0]=3 1544 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 F49509 [0,2,0,0,0,0|1,0,0]=3 1545 B10R1.13 C[C@@H](N)C1=CN=C(Br)C=C1 B63698 [0,2,0,0,0,0|2,0,0]=4 1546 B10R1.13 C[C@@H](N)C1=NC=C(F)C=C1 F46566 [0,2,0,0,0,0|2,0,0]=4 1547 B10R1.13 C[C@@H](O)C1=CC=C(Br)C=C1 B49428 [0,2,0,0,0,0|0,0,0]=2 1548 B10R1.13 C[C@@H](O)C1=CC=C(Cl)C=C1 C49454 [0,2,0,0,0,0|0,0,0]=2 1549 B10R1.13 C[C@@H](O)C1=CC=C(F)C=C1 F49461 [0,2,0,0,0,0|0,0,0]=2 1550 B10R1.13 C[C@H](Br)C1=CC=C(F)C=C1 B36983 [0,2,0,0,0,0|1,0,0]=3 1551 B10R1.13 C[C@H](N)C1=CC=C(Br)C=C1 B46724 [0,2,0,0,0,0|1,0,0]=3 1552 B10R1.13 C[C@H](N)C1=CC=C(Br)C=C1 B46735 [0,2,0,0,0,0|1,0,0]=3 1553 B10R1.13 C[C@H](N)C1=CC=C(Br)C=C1 B65383 [0,2,0,0,0,0|1,0,0]=3 1554 B10R1.13 C[C@H](N)C1=CC=C(F)C=C1 F36974 [0,2,0,0,0,0|1,0,0]=3 1555 B10R1.13 C[C@H](N)C1=CC=C(F)C=C1 F64415 [0,2,0,0,0,0|1,0,0]=3 1556 B10R1.13 C[C@H](N)C1=CC=C(I)C=C1 K46768 [0,2,0,0,0,0|1,0,0]=3 1557 B10R1.13 C[C@H](N)C1=CC=C(I)C=C1 K46771 [0,2,0,0,0,0|1,0,0]=3 1558 B10R1.13 C[C@H](N)C1=CC=C(N)C=C1 A46957 [0,2,0,0,0,0|1,0,0]=3 1559 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 B46292 [0,2,0,0,0,0|2,0,0]=4 1560 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 B46296 [0,2,0,0,0,0|2,0,0]=4 1561 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 F0635 [0,2,0,0,0,0|2,0,0]=4 1562 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 F46612 [0,2,0,0,0,0|2,0,0]=4 1563 B10R1.13 C[C@H](O)C1=CC=C(Br)C=C1 B49431 [0,2,0,0,0,0|0,0,0]=2 1564 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 C49442 [0,2,0,0,0,0|0,0,0]=2 1565 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 C49449 [0,2,0,0,0,0|0,0,0]=2 1566 B10R1.13 C[C@H](O)C1=CC=C(F)C=C1 F49463 [0,2,0,0,0,0|0,0,0]=2 1567 B10R1.13 C[C@H](O)C1=CC=C(O)C=C1 H46826 [0,2,0,0,0,0|0,0,0]=2 1568 B10R1.13 C[S@](=O)C1=CC=C(Br)C=C1 B63199 [0,2,0,0,0,0|1,0,1]=4 1569 B10R1.13 FC(F)C1=CC=C(Cl)C=C1 C44732 [0,2,0,0,0,0|1,0,0]=3 1570 B10R1.13 FC(F)C1=CC=C(I)C=C1 D44733 [0,2,0,0,0,0|1,0,0]=3 1571 B10R1.13 FC(F)C1=NC=C(Br)C=C1 B28701 [0,2,0,0,0,0|2,0,0]=4 1572 B10R1.13 N=C(N)C1=CC=C(Br)C=C1 B45615 [0,2,0,0,0,0|1,0,1]=4 1573 B10R1.13 N=C(N)C1=CC=C(Br)C=C1 B45619 [0,2,0,0,0,0|1,0,1]=4 1574 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 C45622 [0,2,0,0,0,0|1,0,1]=4 1575 B10R1.13 N=C(N)C1=CC=C(F)C=C1 F46534 [0,2,0,0,0,0|1,0,1]=4 1576 B10R1.13 N=C(N)C1=CC=C(F)C=C1 F9396 [0,2,0,0,0,0|1,0,1]=4 1577 B10R1.13 N=C(N)C1=CC=C(N)C=C1 A4675 [0,2,0,0,0,0|1,0,1]=4 1578 B10R1.13 N=C(N)C1=CC=C(O)C=C1 H46554 [0,2,0,0,0,0|1,0,1]=4 1579 B10R1.13 NC(=O)C1=CC=C(Br)C=C1 B45467 [0,2,0,0,0,0|0,0,2]=4 1580 B10R1.13 NC(=O)C1=CC=C(Cl)C=C1 C45478 [0,2,0,0,0,0|0,0,2]=4 1581 B10R1.13 NC(=O)C1=CC=C(N)C=C1 A37818 [0,2,0,0,0,0|0,0,2]=4 1582 B10R1.13 NC(=S)C1=CC=C(Cl)C=C1 C64929 [0,2,0,0,0,0|0,1,1]=4 1583 B10R1.13 NC(=S)C1=CC=C(O)C=C1 H39401 [0,2,0,0,0,0|0,1,1]=4 1584 B10R1.13 NC1=CC=C(B(O)O)C=C1 A1420 [0,2,0,0,0,0|1,0,0]=3 1585 B10R1.13 NC1=CC=C(C(F)F)C=C1 D46546 [0,2,0,0,0,0|1,0,0]=3 1586 B10R1.13 NC1=CN=C(C(=O)O)C=C1 A1119 [0,2,0,0,0,0|1,0,1]=4 1587 B10R1.13 NC1=CN=C(C(F)F)C=C1 D36896 [0,2,0,0,0,0|2,0,0]=4 1588 B10R1.13 NC1=NC=C(B(O)O)C=C1 A63168 [0,2,0,0,0,0|2,0,0]=4 1589 B10R1.13 NC1=NC=C(B(O)O)C=C1 A7476 [0,2,0,0,0,0|2,0,0]=4 1590 B10R1.13 NC1=NC=C(C(=O)O)C=C1 A4758 [0,2,0,0,0,0|1,0,1]=4 1591 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 C67273 [0,2,0,0,0,0|0,0,1]=3 1592 B10R1.13 O=C(O)C1=CC=C(I)C=C1 K39365 [0,2,0,0,0,0|0,0,1]=3 1593 B10R1.13 O=C(O)C1=CC=C(S)C=C1 M69070 [0,2,0,0,0,0|0,0,1]=3 1594 B10R1.13 O=C(O)C1=CN=C(Br)C=C1 B4499 [0,2,0,0,0,0|1,0,1]=4 1595 B10R1.13 O=C(O)C1=CN=C(Cl)C=C1 C24114 [0,2,0,0,0,0|1,0,1]=4 1596 B10R1.13 O=C(O)C1=CN=C(F)C=C1 F2849 [0,2,0,0,0,0|1,0,1]=4 1597 B10R1.13 O=C(O)C1=NC=C(Br)C=C1 B4511 [0,2,0,0,0,0|1,0,1]=4 1598 B10R1.13 O=C(O)C1=NC=C(F)C=C1 F13767 [0,2,0,0,0,0|1,0,1]=4 1599 B10R1.13 O=C(O)C1=NC=C(I)C=C1 I38885 [0,2,0,0,0,0|1,0,1]=4 1600 B10R1.13 O=C(O)C1=NC=C(O)C=C1 H8151 [0,2,0,0,0,0|1,0,1]=4 1601 B10R1.13 O=C1C=CC(C(=O)O)=CN1 H12738 [0,2,0,0,0,0|1,0,1]=4 1602 B10R1.13 O=C1C=CC(C(=O)O)=CO1 C7780 [0,2,0,0,0,0|1,0,1]=4 1603 B10R1.13 O=[N+]([O-])C1=CC=C(F)C=C1 F68090 [0,2,0,0,0,0|1,0,1]=4 1604 B10R1.13 O=[S@](O)C1=CC=C(Br)C=C1 B42696 [0,2,0,0,0,0|1,0,0]=3 1605 B10R1.13 O=[S@]([O-])C1=CC=C(F)C=C1 S42324 [0,2,0,0,0,0|1,0,1]=4 1606 B10R1.13 OB(O)C1=CC=C(Br)C=C1 B1940 [0,2,0,0,0,0|1,0,0]=3 1607 B10R1.13 OB(O)C1=CC=C(Cl)C=C1 C2280 [0,2,0,0,0,0|1,0,0]=3 1608 B10R1.13 OB(O)C1=CC=C(F)C=C1 F3380 [0,2,0,0,0,0|1,0,0]=3 1609 B10R1.13 OB(O)C1=CN=C(Br)C=C1 B1950 [0,2,0,0,0,0|2,0,0]=4 1610 B10R1.13 OB(O)C1=CN=C(Cl)C=C1 C2288 [0,2,0,0,0,0|2,0,0]=4 1611 B10R1.13 OB(O)C1=CN=C(F)C=C1 F3388 [0,2,0,0,0,0|2,0,0]=4 1612 B10R1.13 OB(O)C1=CN=C(O)C=C1 H26341 [0,2,0,0,0,0|2,0,0]=4 1613 B10R1.13 OB(O)C1=NC=C(Cl)C=C1 C40992 [0,2,0,0,0,0|2,0,0]=4 1614 B10R1.13 OB(O)C1=NC=C(F)C=C1 F61886 [0,2,0,0,0,0|2,0,0]=4 1615 B10R1.13 OC1=CN=C(C(F)F)C=C1 D43514 [0,2,0,0,0,0|2,0,0]=4 1616 B10R1.25 BrCC1=C(I)C=C(Br)C=C1 B44700 [0,2,0,0,0,0|1,0,0]=3 1617 B10R1.25 C#CC1=C(Cl)C=C(N)C=C1 C38927 [0,2,0,0,0,0|1,0,1]=4 1618 B10R1.25 CC1=C(C#N)C=CC(Br)=C1 B47950 [0,2,0,0,0,0|1,0,1]=4 1619 B10R1.25 CC1=C(C#N)C=CC(Cl)=C1 C47964 [0,2,0,0,0,0|1,0,1]=4 1620 B10R1.25 CC1=C(C#N)C=CC(F)=C1 F47978 [0,2,0,0,0,0|1,0,1]=4 1621 B10R1.25 CC1=C(C#N)C=CC(N)=C1 A38779 [0,2,0,0,0,0|1,0,1]=4 1622 B10R1.25 CC1=C(C#N)C=CC(O)=C1 H48449 [0,2,0,0,0,0|1,0,1]=4 1623 B10R1.25 CC1=C(C=O)C=CC(Br)=C1 B48716 [0,2,0,0,0,0|0,0,2]=4 1624 B10R1.25 CC1=C(C=O)C=CC(Cl)=C1 C23512 [0,2,0,0,0,0|0,0,2]=4 1625 B10R1.25 CC1=C(C=O)C=CC(F)=C1 F48741 [0,2,0,0,0,0|0,0,2]=4 1626 B10R1.25 CC1=C(C=O)C=CC(O)=C1 H49073 [0,2,0,0,0,0|0,0,2]=4 1627 B10R1.25 CC1=C(CBr)C=CC(Br)=C1 B48758 [0,2,0,0,0,0|1,0,0]=3 1628 B10R1.25 CC1=C(CF)C=CC(Br)=C1 B48770 [0,2,0,0,0,0|1,0,0]=3 1629 B10R1.25 CC1=C(CN)C=CC(Br)=C1 B46736 [0,2,0,0,0,0|1,0,0]=3 1630 B10R1.25 CC1=C(CN)C=CC(Br)=C1 B46744 [0,2,0,0,0,0|1,0,0]=3 1631 B10R1.25 CC1=C(CO)C=CC(Br)=C1 B61046 [0,2,0,0,0,0|0,0,0]=2 1632 B10R1.25 CC1=C(CO)C=CC(F)=N1 F46222 [0,2,0,0,0,0|1,0,0]=3 1633 B10R1.25 CC1=C(CO)C=CC(N)=C1 A39080 [0,2,0,0,0,0|0,0,0]=2 1634 B10R1.25 CC1=C(NN)C=CC(F)=C1 F46564 [0,2,0,0,0,0|2,0,0]=4 1635 B10R1.25 CC1=CC(Br)=C(C#N)C=C1 B47945 [0,2,0,0,0,0|1,0,1]=4 1636 B10R1.25 CC1=CC(Br)=C(C=O)C=C1 B48711 [0,2,0,0,0,0|0,0,2]=4 1637 B10R1.25 CC1=CC(Br)=CN=C1CN B46293 [0,2,0,0,0,0|2,0,0]=4 1638 B10R1.25 CC1=CC(C)=C(C=O)C=C1 D49874 [0,2,0,0,0,0|0,0,2]=4 1639 B10R1.25 CC1=CC(C)=C(CBr)C=C1 B49966 [0,2,0,0,0,0|1,0,0]=3 1640 B10R1.25 CC1=CC(C)=C(CO)C=C1 D50273 [0,2,0,0,0,0|0,0,0]=2 1641 B10R1.25 CC1=CC(C)=C(NN)C=C1 D49534 [0,2,0,0,0,0|2,0,0]=4 1642 B10R1.25 CC1=CC(Cl)=C(C#N)C=C1 C47960 [0,2,0,0,0,0|1,0,1]=4 1643 B10R1.25 CC1=CC(Cl)=C(C=O)C=C1 C48726 [0,2,0,0,0,0|0,0,2]=4 1644 B10R1.25 CC1=CC(Cl)=C(CN)C=C1 C46753 [0,2,0,0,0,0|1,0,0]=3 1645 B10R1.25 CC1=CC(F)=C(C#N)C=C1 F47972 [0,2,0,0,0,0|1,0,1]=4 1646 B10R1.25 CC1=CC(F)=C(C=O)C=C1 F48737 [0,2,0,0,0,0|0,0,2]=4 1647 B10R1.25 CC1=CC(N)=C(C#N)C=C1 A48781 [0,2,0,0,0,0|1,0,1]=4 1648 B10R1.25 CC1=CC(N)=C(CO)C=C1 A46913 [0,2,0,0,0,0|0,0,0]=2 1649 B10R1.25 CC1=CC(N)=C(CO)C=N1 A43644 [0,2,0,0,0,0|1,0,0]=3 1650 B10R1.25 CC1=CC(O)=C(C#N)C=C1 H48444 [0,2,0,0,0,0|1,0,1]=4 1651 B10R1.25 CC1=CC(O)=C(C=O)C=C1 H38560 [0,2,0,0,0,0|0,0,2]=4 1652 B10R1.25 CC1=CC=C(CBr)C(Br)=N1 B45763 [0,2,0,0,0,0|2,0,0]=4 1653 B10R1.25 CC1=CN=C(CCl)C(C)=C1 C38639 [0,2,0,0,0,0|2,0,0]=4 1654 B10R1.25 CC1=CN=C(CO)C(C)=C1 D46914 [0,2,0,0,0,0|1,0,0]=3 1655 B10R1.25 CC1=NC(=O)C(CO)=CN1 H43232 [0,2,0,0,0,0|2,0,0]=4 1656 B10R1.25 CC1=NC(C)=C(CO)C=C1 D64003 [0,2,0,0,0,0|1,0,0]=3 1657 B10R1.25 CC1=NC(N)=C(CO)C=N1 A67768 [0,2,0,0,0,0|2,0,0]=4 1658 B10R1.25 CCC1=C(Cl)C=C(N)C=C1 C46746 [0,2,0,0,0,0|1,0,0]=3 1659 B10R1.25 CCC1=C(F)C=C(O)C=C1 E65621 [0,2,0,0,0,0|1,0,0]=3 1660 B10R1.25 CCC1=C(N)C=C(Br)C=C1 B46721 [0,2,0,0,0,0|1,0,0]=3 1661 B10R1.25 CCC1=C(N)C=C(Cl)C=C1 C46745 [0,2,0,0,0,0|1,0,0]=3 1662 B10R1.25 CCC1=NC=C(Br)C=C1N A11260 [0,2,0,0,0,0|2,0,0]=4 1663 B10R1.25 CCN1C=CC(Br)=CC1=O B15236 [0,2,0,0,0,0|2,0,0]=4 1664 B10R1.25 CCN1C=CC(N)=CC1=O A27174 [0,2,0,0,0,0|2,0,0]=4 1665 B10R1.25 CCN1C=CC(N)=CC1=O A7787 [0,2,0,0,0,0|2,0,0]=4 1666 B10R1.25 CNC1=C(Br)C=C(C)C=C1 B46730 [0,2,0,0,0,0|2,0,0]=4 1667 B10R1.25 CNC1=C(N)C=C(Br)C=C1 B46287 [0,2,0,0,0,0|2,0,0]=4 1668 B10R1.25 CNC1=C(N)C=C(Cl)C=C1 C46303 [0,2,0,0,0,0|2,0,0]=4 1669 B10R1.25 COC1=C(Br)C=C(Cl)C=C1 B39392 [0,2,0,0,0,0|2,0,0]=4 1670 B10R1.25 COC1=C(Br)C=C(F)C=C1 B39393 [0,2,0,0,0,0|2,0,0]=4 1671 B10R1.25 COC1=C(Br)C=C(I)C=C1 B45584 [0,2,0,0,0,0|2,0,0]=4 1672 B10R1.25 COC1=C(Br)C=C(N)C=C1 B46154 [0,2,0,0,0,0|2,0,0]=4 1673 B10R1.25 COC1=C(Br)C=C(O)C=C1 B45899 [0,2,0,0,0,0|2,0,0]=4 1674 B10R1.25 COC1=C(C)C=C(Br)C=C1 B49440 [0,2,0,0,0,0|2,0,0]=4 1675 B10R1.25 COC1=C(C)C=C(C)C=C1 D50266 [0,2,0,0,0,0|2,0,0]=4 1676 B10R1.25 COC1=C(C)C=C(F)C=C1 F49467 [0,2,0,0,0,0|2,0,0]=4 1677 B10R1.25 COC1=C(C)C=C(I)C=C1 K49474 [0,2,0,0,0,0|2,0,0]=4 1678 B10R1.25 COC1=C(C)C=C(N)C=C1 M46909 [0,2,0,0,0,0|2,0,0]=4 1679 B10R1.25 COC1=C(C)C=C(O)C=C1 M38275 [0,2,0,0,0,0|2,0,0]=4 1680 B10R1.25 COC1=C(C)C=C([Mg+])C=C1 M31769 [0,2,0,0,0,0|2,0,0]=4 1681 B10R1.25 COC1=C(Cl)C=C(Br)C=C1 B45564 [0,2,0,0,0,0|2,0,0]=4 1682 B10R1.25 COC1=C(F)C=C(Br)C=C1 B13752 [0,2,0,0,0,0|2,0,0]=4 1683 B10R1.25 COC1=C(F)C=C(I)C=C1 F45610 [0,2,0,0,0,0|2,0,0]=4 1684 B10R1.25 COC1=C(F)C=C(N)C=C1 F38501 [0,2,0,0,0,0|2,0,0]=4 1685 B10R1.25 COC1=C(F)C=C(O)C=C1 F23734 [0,2,0,0,0,0|2,0,0]=4 1686 B10R1.25 COC1=C(F)C=C([Mg+])C=C1 F31773 [0,2,0,0,0,0|2,0,0]=4 1687 B10R1.25 COC1=C(I)C=C(Br)C=C1 B38589 [0,2,0,0,0,0|2,0,0]=4 1688 B10R1.25 COC1=C(I)C=C(C)C=C1 K62337 [0,2,0,0,0,0|2,0,0]=4 1689 B10R1.25 COC1=C(I)C=C(Cl)C=C1 C45602 [0,2,0,0,0,0|2,0,0]=4 1690 B10R1.25 COC1=C(I)C=C(N)C=C1 K46229 [0,2,0,0,0,0|2,0,0]=4 1691 B10R1.25 COC1=C(I)C=C(N)C=C1 K46231 [0,2,0,0,0,0|2,0,0]=4 1692 B10R1.25 COC1=C(N)C=C(Br)C=C1 B46157 [0,2,0,0,0,0|2,0,0]=4 1693 B10R1.25 COC1=C(N)C=C(F)C=C1 F46211 [0,2,0,0,0,0|2,0,0]=4 1694 B10R1.25 COC1=C(N)C=C(I)C=C1 A46224 [0,2,0,0,0,0|2,0,0]=4 1695 B10R1.25 COC1=C(O)C=C(Br)C=C1 B37821 [0,2,0,0,0,0|2,0,0]=4 1696 B10R1.25 COC1=C(O)C=C(F)C=C1 F45919 [0,2,0,0,0,0|2,0,0]=4 1697 B10R1.25 COC1=C(O)C=C(N)C=C1 A46397 [0,2,0,0,0,0|2,0,0]=4 1698 B10R1.25 COC1=C(O)C=C(O)C=C1 M61053 [0,2,0,0,0,0|2,0,0]=4 1699 B10R1.25 COC1=C([Mg+])C=C(C)C=C1 M31765 [0,2,0,0,0,0|2,0,0]=4 1700 B10R1.25 COC1=C([Mg+])C=C(Cl)C=C1 C31793 [0,2,0,0,0,0|2,0,0]=4 1701 B10R1.25 COC1=C([Mg+])C=C(F)C=C1 F31774 [0,2,0,0,0,0|2,0,0]=4 1702 B10R1.25 ClC1=C(CBr)C=CC(Br)=C1 B44691 [0,2,0,0,0,0|1,0,0]=3 1703 B10R1.25 ClC1=CC(Cl)=C(CBr)C=C1 B38059 [0,2,0,0,0,0|1,0,0]=3 1704 B10R1.25 ClCC1=CN=C(Cl)C=C1Cl D42231 [0,2,0,0,0,0|2,0,0]=4 1705 B10R1.25 FC1=C(CBr)C=CC(Br)=C1 B39350 [0,2,0,0,0,0|1,0,0]=3 1706 B10R1.25 FC1=CC(Br)=C(CBr)C=C1 B44692 [0,2,0,0,0,0|1,0,0]=3 1707 B10R1.25 FC1=CC(Cl)=C(CBr)C=C1 B44714 [0,2,0,0,0,0|1,0,0]=3 1708 B10R1.25 FC1=CC(F)=C(CBr)C=C1 B44724 [0,2,0,0,0,0|1,0,0]=3 1709 B10R1.25 N#CC1=C(Br)C=C(Br)C=C1 D38778 [0,2,0,0,0,0|1,0,1]=4 1710 B10R1.25 N#CC1=C(Br)C=C(Cl)C=C1 B5579 [0,2,0,0,0,0|1,0,1]=4 1711 B10R1.25 N#CC1=C(Br)C=C(F)C=C1 B44104 [0,2,0,0,0,0|1,0,1]=4 1712 B10R1.25 N#CC1=C(Br)C=C(N)C=C1 A44740 [0,2,0,0,0,0|1,0,1]=4 1713 B10R1.25 N#CC1=C(Cl)C=C(Br)C=C1 B44095 [0,2,0,0,0,0|1,0,1]=4 1714 B10R1.25 N#CC1=C(Cl)C=C(Cl)C=C1 D39314 [0,2,0,0,0,0|1,0,1]=4 1715 B10R1.25 N#CC1=C(Cl)C=C(F)C=C1 C44120 [0,2,0,0,0,0|1,0,1]=4 1716 B10R1.25 N#CC1=C(Cl)C=C(N)C=C1 A44772 [0,2,0,0,0,0|1,0,1]=4 1717 B10R1.25 N#CC1=C(Cl)C=C(O)C=C1 C38503 [0,2,0,0,0,0|1,0,1]=4 1718 B10R1.25 N#CC1=C(F)C=C(Br)C=C1 B39313 [0,2,0,0,0,0|1,0,1]=4 1719 B10R1.25 N#CC1=C(F)C=C(Cl)C=C1 C44124 [0,2,0,0,0,0|1,0,1]=4 1720 B10R1.25 N#CC1=C(F)C=C(F)C=C1 D68894 [0,2,0,0,0,0|1,0,1]=4 1721 B10R1.25 N#CC1=C(F)C=C(I)C=C1 F68019 [0,2,0,0,0,0|1,0,1]=4 1722 B10R1.25 N#CC1=C(F)C=C(N)C=C1 A37934 [0,2,0,0,0,0|1,0,1]=4 1723 B10R1.25 N#CC1=C(F)C=C(O)C=C1 F39332 [0,2,0,0,0,0|1,0,1]=4 1724 B10R1.25 N#CC1=C(I)C=C(Cl)C=C1 C44130 [0,2,0,0,0,0|1,0,1]=4 1725 B10R1.25 N#CC1=C(I)C=C(F)C=C1 F44137 [0,2,0,0,0,0|1,0,1]=4 1726 B10R1.25 N#CC1=C(N)C=C(Br)C=C1 A38542 [0,2,0,0,0,0|1,0,1]=4 1727 B10R1.25 N#CC1=C(N)C=C(Cl)C=C1 A68870 [0,2,0,0,0,0|1,0,1]=4 1728 B10R1.25 N#CC1=C(N)C=C(F)C=C1 A44792 [0,2,0,0,0,0|1,0,1]=4 1729 B10R1.25 N#CC1=C(O)C=C(Br)C=C1 B36608 [0,2,0,0,0,0|1,0,1]=4 1730 B10R1.25 N#CC1=C(O)C=C(Cl)C=C1 C44534 [0,2,0,0,0,0|1,0,1]=4 1731 B10R1.25 N#CC1=C(O)C=C(F)C=C1 F44548 [0,2,0,0,0,0|1,0,1]=4 1732 B10R1.25 N#CC1=C(O)C=C(O)C=C1 D24706 [0,2,0,0,0,0|1,0,1]=4 1733 B10R1.25 NC1=C(C=O)C=CC(Br)=C1 A45469 [0,2,0,0,0,0|0,0,2]=4 1734 B10R1.25 NC1=C(C=O)C=CC(Cl)=C1 A45480 [0,2,0,0,0,0|0,0,2]=4 1735 B10R1.25 NC1=C(C=O)C=CC(F)=C1 A61199 [0,2,0,0,0,0|0,0,2]=4 1736 B10R1.25 NC1=C(CO)C=CC(Br)=C1 A46164 [0,2,0,0,0,0|0,0,0]=2 1737 B10R1.25 NC1=C(CO)C=CC(Cl)=C1 A46195 [0,2,0,0,0,0|0,0,0]=2 1738 B10R1.25 NC1=C(CO)C=NC(Cl)=N1 A41093 [0,2,0,0,0,0|2,0,0]=4 1739 B10R1.25 NC1=CC(Br)=CN=C1CO A12038 [0,2,0,0,0,0|1,0,0]=3 1740 B10R1.25 NC1=CC(Cl)=CN=C1CO A59939 [0,2,0,0,0,0|1,0,0]=3 1741 B10R1.25 NC1=CC(Cl)=NC=C1CO A25618 [0,2,0,0,0,0|1,0,0]=3 1742 B10R1.25 NC1=CC(N)=C(C=O)C=C1 D45975 [0,2,0,0,0,0|0,0,2]=4 1743 B10R1.25 NCC1=C(Br)C=C(Cl)C=C1 B45767 [0,2,0,0,0,0|1,0,0]=3 1744 B10R1.25 NCC1=C(Cl)C=C(Cl)C=C1 D45792 [0,2,0,0,0,0|1,0,0]=3 1745 B10R1.25 NCC1=C(Cl)C=C(F)C=C1 C68851 [0,2,0,0,0,0|1,0,0]=3 1746 B10R1.25 NCC1=C(F)C=C(Br)C=C1 B45781 [0,2,0,0,0,0|1,0,0]=3 1747 B10R1.25 NCC1=C(F)C=C(Cl)C=C1 C63109 [0,2,0,0,0,0|1,0,0]=3 1748 B10R1.25 NCC1=C(F)C=C(F)C=C1 D38872 [0,2,0,0,0,0|1,0,0]=3 1749 B10R1.25 NCC1=C(F)C=C(F)C=N1 D43571 [0,2,0,0,0,0|2,0,0]=4 1750 B10R1.25 NCC1=C(O)C=C(Br)C=C1 A46159 [0,2,0,0,0,0|1,0,0]=3 1751 B10R1.25 NCC1=NC=C(Br)C=C1F A12623 [0,2,0,0,0,0|2,0,0]=4 1752 B10R1.25 NCC1=NC=C(Br)C=C1F B27080 [0,2,0,0,0,0|2,0,0]=4 1753 B10R1.25 NNC1=C(Br)C=C(Br)C=C1 D62018 [0,2,0,0,0,0|2,0,0]=4 1754 B10R1.25 NNC1=C(Cl)C=C(Cl)C=C1 D68750 [0,2,0,0,0,0|2,0,0]=4 1755 B10R1.25 NNC1=C(Cl)C=C(F)C=C1 C42760 [0,2,0,0,0,0|2,0,0]=4 1756 B10R1.25 NNC1=C(F)C=C(Br)C=C1 B42739 [0,2,0,0,0,0|2,0,0]=4 1757 B10R1.25 NNC1=C(F)C=C(Cl)C=C1 C42764 [0,2,0,0,0,0|2,0,0]=4 1758 B10R1.25 NNC1=C(F)C=C(F)C=C1 D39285 [0,2,0,0,0,0|2,0,0]=4 1759 B10R1.25 O=CC1=C(Br)C=C(Br)C=C1 D44632 [0,2,0,0,0,0|0,0,2]=4 1760 B10R1.25 O=CC1=C(Br)C=C(Cl)C=C1 B7860 [0,2,0,0,0,0|0,0,2]=4 1761 B10R1.25 O=CC1=C(Br)C=C(F)C=C1 B39342 [0,2,0,0,0,0|0,0,2]=4 1762 B10R1.25 O=CC1=C(Br)C=C(I)C=C1 B67802 [0,2,0,0,0,0|0,0,2]=4 1763 B10R1.25 O=CC1=C(Br)C=C(O)C=C1 B37795 [0,2,0,0,0,0|0,0,2]=4 1764 B10R1.25 O=CC1=C(Cl)C=C(Br)C=C1 C44637 [0,2,0,0,0,0|0,0,2]=4 1765 B10R1.25 O=CC1=C(Cl)C=C(Cl)C=C1 D69004 [0,2,0,0,0,0|0,0,2]=4 1766 B10R1.25 O=CC1=C(Cl)C=C(F)C=C1 C39345 [0,2,0,0,0,0|0,0,2]=4 1767 B10R1.25 O=CC1=C(Cl)C=C(O)C=C1 C45089 [0,2,0,0,0,0|0,0,2]=4 1768 B10R1.25 O=CC1=C(F)C=C(Br)C=C1 B24366 [0,2,0,0,0,0|0,0,2]=4 1769 B10R1.25 O=CC1=C(F)C=C(Cl)C=C1 C38438 [0,2,0,0,0,0|0,0,2]=4 1770 B10R1.25 O=CC1=C(F)C=C(F)C=C1 D44675 [0,2,0,0,0,0|0,0,2]=4 1771 B10R1.25 O=CC1=C(F)C=C(I)C=C1 F44686 [0,2,0,0,0,0|0,0,2]=4 1772 B10R1.25 O=CC1=C(F)C=C(O)C=C1 F45098 [0,2,0,0,0,0|0,0,2]=4 1773 B10R1.25 O=CC1=C(I)C=C(Br)C=C1 B44660 [0,2,0,0,0,0|0,0,2]=4 1774 B10R1.25 O=CC1=C(I)C=C(O)C=C1 H69541 [0,2,0,0,0,0|0,0,2]=4 1775 B10R1.25 O=CC1=C(O)C=C(Cl)C=C1 C45094 [0,2,0,0,0,0|0,0,2]=4 1776 B10R1.25 O=CC1=C(O)C=C(F)C=C1 F23204 [0,2,0,0,0,0|0,0,2]=4 1777 B10R1.25 O=CC1=C(O)C=C(O)C=C1 D67877 [0,2,0,0,0,0|0,0,2]=4 1778 B10R1.25 OCC1=C(Br)C=C(Br)C=C1 D45544 [0,2,0,0,0,0|0,0,0]=2 1779 B10R1.25 OCC1=C(Br)C=C(Cl)C=N1 B17743 [0,2,0,0,0,0|1,0,0]=3 1780 B10R1.25 OCC1=C(Br)C=C(F)C=C1 B45567 [0,2,0,0,0,0|0,0,0]=2 1781 B10R1.25 OCC1=C(Br)C=C(O)C=C1 B45904 [0,2,0,0,0,0|0,0,0]=2 1782 B10R1.25 OCC1=C(Cl)C=C(Cl)C=C1 D63315 [0,2,0,0,0,0|0,0,0]=2 1783 B10R1.25 OCC1=C(Cl)C=C(Cl)C=N1 D6829 [0,2,0,0,0,0|1,0,0]=3 1784 B10R1.25 OCC1=C(Cl)C=C(F)C=C1 C45594 [0,2,0,0,0,0|0,0,0]=2 1785 B10R1.25 OCC1=C(F)C=C(Br)C=C1 B61349 [0,2,0,0,0,0|0,0,0]=2 1786 B10R1.25 OCC1=C(F)C=C(Cl)C=C1 C45596 [0,2,0,0,0,0|0,0,0]=2 1787 B10R1.25 OCC1=C(F)C=C(F)C=C1 D45607 [0,2,0,0,0,0|0,0,0]=2 1788 B10R1.25 OCC1=C(F)C=C(O)C=C1 F38990 [0,2,0,0,0,0|0,0,0]=2 1789 B10R1.25 OCC1=C(O)C=C(Br)C=C1 B38232 [0,2,0,0,0,0|0,0,0]=2 1790 B10R1.25 OCC1=CC=C(Br)N=C1Br D42635 [0,2,0,0,0,0|1,0,0]=3 1791 B10R1.25 OCC1=CC=C(Cl)N=C1Cl D0718 [0,2,0,0,0,0|1,0,0]=3 1792 B10R1.25 OCC1=CN=C(Cl)C=C1Cl D42662 [0,2,0,0,0,0|1,0,0]=3 1793 B10R1.25 OCC1=NC=C(Br)C=C1Cl B42651 [0,2,0,0,0,0|1,0,0]=3 1794 B10R1.25 OCC1=NC=C(Br)C=C1F B0544 [0,2,0,0,0,0|1,0,0]=3 1795 B10R1.25 OCC1=NC=C(Cl)C=C1F C13727 [0,2,0,0,0,0|1,0,0]=3 1796 B10R1.176 BrCC1=CC(Br)=C(Br)C=C1 D44703 [0,2,0,0,0,0|1,0,0]=3 1797 B10R1.176 C#CC1=CC(N)=C(F)C=C1 E47970 [0,2,0,0,0,0|1,0,1]=4 1798 B10R1.176 C=CC1=CC(F)=C(Cl)C=C1 C60746 [0,2,0,0,0,0|1,0,1]=4 1799 B10R1.176 CC1=C(Br)C=C(C#N)C=C1 B39465 [0,2,0,0,0,0|1,0,1]=4 1800 B10R1.176 CC1=C(Br)C=C(C=O)C=C1 B48714 [0,2,0,0,0,0|0,0,2]=4 1801 B10R1.176 CC1=C(Br)C=C(CBr)C=C1 B38347 [0,2,0,0,0,0|1,0,0]=3 1802 B10R1.176 CC1=C(Br)C=C(CO)C=C1 B49432 [0,2,0,0,0,0|0,0,0]=2 1803 B10R1.176 CC1=C(Br)C=CC(C#N)=C1 B47951 [0,2,0,0,0,0|1,0,1]=4 1804 B10R1.176 CC1=C(Br)C=CC(C=O)=C1 B48717 [0,2,0,0,0,0|0,0,2]=4 1805 B10R1.176 CC1=C(Br)C=CC(CBr)=C1 B48757 [0,2,0,0,0,0|1,0,0]=3 1806 B10R1.176 CC1=C(Br)C=CC(CO)=C1 B49433 [0,2,0,0,0,0|0,0,0]=2 1807 B10R1.176 CC1=C(Br)C=NC(CO)=C1 B46178 [0,2,0,0,0,0|1,0,0]=3 1808 B10R1.176 CC1=C(C)C=C(C#N)C=C1 D51674 [0,2,0,0,0,0|1,0,1]=4 1809 B10R1.176 CC1=C(C)C=C(CCl)C=C1 C49971 [0,2,0,0,0,0|1,0,0]=3 1810 B10R1.176 CC1=C(C)C=C(CO)C=C1 D50275 [0,2,0,0,0,0|0,0,0]=2 1811 B10R1.176 CC1=C(C)C=C(NN)C=C1 D39524 [0,2,0,0,0,0|2,0,0]=4 1812 B10R1.176 CC1=C(Cl)C=C(C#N)C=C1 C47963 [0,2,0,0,0,0|1,0,1]=4 1813 B10R1.176 CC1=C(Cl)C=C(C=O)C=C1 C48728 [0,2,0,0,0,0|0,0,2]=4 1814 B10R1.176 CC1=C(Cl)C=C(CN)C=C1 C46749 [0,2,0,0,0,0|1,0,0]=3 1815 B10R1.176 CC1=C(Cl)C=CC(C#N)=C1 C47965 [0,2,0,0,0,0|1,0,1]=4 1816 B10R1.176 CC1=C(Cl)C=CC(C=O)=C1 C48730 [0,2,0,0,0,0|0,0,2]=4 1817 B10R1.176 CC1=C(F)C=C(C#N)C=C1 F47976 [0,2,0,0,0,0|1,0,1]=4 1818 B10R1.176 CC1=C(F)C=C(CO)C=N1 F46223 [0,2,0,0,0,0|1,0,0]=3 1819 B10R1.176 CC1=C(F)C=C(NN)C=C1 F46563 [0,2,0,0,0,0|2,0,0]=4 1820 B10R1.176 CC1=C(F)C=CC(C#N)=C1 F47979 [0,2,0,0,0,0|1,0,1]=4 1821 B10R1.176 CC1=C(F)C=CC(C=O)=C1 F48742 [0,2,0,0,0,0|0,0,2]=4 1822 B10R1.176 CC1=C(F)C=CC(CCl)=N1 C19366 [0,2,0,0,0,0|2,0,0]=4 1823 B10R1.176 CC1=C(F)C=CC(CN)=C1 F46767 [0,2,0,0,0,0|1,0,0]=3 1824 B10R1.176 CC1=C(I)C=C(CO)C=C1 K63324 [0,2,0,0,0,0|0,0,0]=2 1825 B10R1.176 CC1=C(N)C=C(C#N)C=C1 A38450 [0,2,0,0,0,0|1,0,1]=4 1826 B10R1.176 CC1=C(N)C=CC(C#N)=C1 A48784 [0,2,0,0,0,0|1,0,1]=4 1827 B10R1.176 CC1=C(O)C=C(C#N)C=C1 H48447 [0,2,0,0,0,0|1,0,1]=4 1828 B10R1.176 CC1=C(O)C=C(C=O)C=C1 H67820 [0,2,0,0,0,0|0,0,2]=4 1829 B10R1.176 CC1=C(O)C=CC(C#N)=C1 H48450 [0,2,0,0,0,0|1,0,1]=4 1830 B10R1.176 CC1=C(O)C=CC(C=O)=C1 H49074 [0,2,0,0,0,0|0,0,2]=4 1831 B10R1.176 CC1=C(O)C=CC(CO)=C1 H46832 [0,2,0,0,0,0|0,0,0]=2 1832 B10R1.176 CCC1=CC(Br)=C(O)C=C1 B49424 [0,2,0,0,0,0|1,0,0]=3 1833 B10R1.176 CCC1=CC(C)=C(C)C=C1 E53022 [0,2,0,0,0,0|1,0,0]=3 1834 B10R1.176 CCC1=CC(C)=C(I)C=C1 E49973 [0,2,0,0,0,0|1,0,0]=3 1835 B10R1.176 CCC1=CC(F)=C(N)C=C1 E46758 [0,2,0,0,0,0|1,0,0]=3 1836 B10R1.176 CCC1=CC(N)=C(N)C=C1 E49664 [0,2,0,0,0,0|1,0,0]=3 1837 B10R1.176 CCC1=CC(O)=C(N)C=C1 A49521 [0,2,0,0,0,0|1,0,0]=3 1838 B10R1.176 CCC1=NC(Cl)=C(Br)C=C1 B45765 [0,2,0,0,0,0|2,0,0]=4 1839 B10R1.176 CN1C=C(CN)C=CC1=O A12261 [0,2,0,0,0,0|2,0,0]=4 1840 B10R1.176 CN1C=C(CN)C=CC1=O A31857 [0,2,0,0,0,0|2,0,0]=4 1841 B10R1.176 CN1C=C(CO)C=CC1=O H7538 [0,2,0,0,0,0|1,0,0]=3 1842 B10R1.176 CN1C=CC(CN)=CC1=O A10237 [0,2,0,0,0,0|2,0,0]=4 1843 B10R1.176 CN1C=CC(CN)=CC1=O A7466 [0,2,0,0,0,0|2,0,0]=4 1844 B10R1.176 CN1C=CC(CO)=CC1=O M7545 [0,2,0,0,0,0|1,0,0]=3 1845 B10R1.176 CNC1=CC(Cl)=C(Cl)C=C1 D45789 [0,2,0,0,0,0|2,0,0]=4 1846 B10R1.176 COC1=CC(Br)=C(Br)C=C1 D45549 [0,2,0,0,0,0|2,0,0]=4 1847 B10R1.176 COC1=CC(Br)=C(C)C=C1 B49439 [0,2,0,0,0,0|2,0,0]=4 1848 B10R1.176 COC1=CC(Br)=C(Cl)C=C1 B45563 [0,2,0,0,0,0|2,0,0]=4 1849 B10R1.176 COC1=CC(Br)=C(F)C=C1 B45565 [0,2,0,0,0,0|2,0,0]=4 1850 B10R1.176 COC1=CC(Br)=C(I)C=C1 B45583 [0,2,0,0,0,0|2,0,0]=4 1851 B10R1.176 COC1=CC(Br)=C(N)C=C1 B38510 [0,2,0,0,0,0|2,0,0]=4 1852 B10R1.176 COC1=CC(Br)=C(O)C=C1 B38008 [0,2,0,0,0,0|2,0,0]=4 1853 B10R1.176 COC1=CC(C)=C(Br)C=C1 B49437 [0,2,0,0,0,0|2,0,0]=4 1854 B10R1.176 COC1=CC(C)=C(F)C=C1 F49456 [0,2,0,0,0,0|2,0,0]=4 1855 B10R1.176 COC1=CC(C)=C(O)C=C1 H38045 [0,2,0,0,0,0|2,0,0]=4 1856 B10R1.176 COC1=CC(C)=C([Mg+])C=C1 M31768 [0,2,0,0,0,0|2,0,0]=4 1857 B10R1.176 COC1=CC(Cl)=C(Br)C=C1 B45553 [0,2,0,0,0,0|2,0,0]=4 1858 B10R1.176 COC1=CC(Cl)=C(C)C=C1 C49453 [0,2,0,0,0,0|2,0,0]=4 1859 B10R1.176 COC1=CC(Cl)=C(Cl)C=C1 D45585 [0,2,0,0,0,0|2,0,0]=4 1860 B10R1.176 COC1=CC(Cl)=C(F)C=C1 C45600 [0,2,0,0,0,0|2,0,0]=4 1861 B10R1.176 COC1=CC(Cl)=C(I)C=C1 C63668 [0,2,0,0,0,0|2,0,0]=4 1862 B10R1.176 COC1=CC(Cl)=C(N)C=C1 C37946 [0,2,0,0,0,0|2,0,0]=4 1863 B10R1.176 COC1=CC(Cl)=C(O)C=C1 C45910 [0,2,0,0,0,0|2,0,0]=4 1864 B10R1.176 COC1=CC(F)=C(Br)C=C1 B45566 [0,2,0,0,0,0|2,0,0]=4 1865 B10R1.176 COC1=CC(F)=C(C)C=C1 F49466 [0,2,0,0,0,0|2,0,0]=4 1866 B10R1.176 COC1=CC(F)=C(Cl)C=C1 C45599 [0,2,0,0,0,0|2,0,0]=4 1867 B10R1.176 COC1=CC(F)=C(F)C=C1 D65181 [0,2,0,0,0,0|2,0,0]=4 1868 B10R1.176 COC1=CC(F)=C(N)C=C1 F38553 [0,2,0,0,0,0|2,0,0]=4 1869 B10R1.176 COC1=CC(I)=C(Br)C=C1 B38541 [0,2,0,0,0,0|2,0,0]=4 1870 B10R1.176 COC1=CC(I)=C(Cl)C=C1 C63030 [0,2,0,0,0,0|2,0,0]=4 1871 B10R1.176 COC1=CC(I)=C(N)C=C1 K46228 [0,2,0,0,0,0|2,0,0]=4 1872 B10R1.176 COC1=CC(N)=C(Br)C=C1 B46152 [0,2,0,0,0,0|2,0,0]=4 1873 B10R1.176 COC1=CC(N)=C(C)C=C1 M46901 [0,2,0,0,0,0|2,0,0]=4 1874 B10R1.176 COC1=CC(N)=C(Cl)C=C1 C46185 [0,2,0,0,0,0|2,0,0]=4 1875 B10R1.176 COC1=CC(N)=C(F)C=C1 F36653 [0,2,0,0,0,0|2,0,0]=4 1876 B10R1.176 COC1=CC(N)=C(I)C=C1 I5695 [0,2,0,0,0,0|2,0,0]=4 1877 B10R1.176 COC1=CC(N)=C(N)C=C1 M43632 [0,2,0,0,0,0|2,0,0]=4 1878 B10R1.176 COC1=CC(N)=C(N)C=C1 M46463 [0,2,0,0,0,0|2,0,0]=4 1879 B10R1.176 COC1=CC(N)=C(O)C=C1 A46393 [0,2,0,0,0,0|2,0,0]=4 1880 B10R1.176 COC1=CC(O)=C(Br)C=C1 B45898 [0,2,0,0,0,0|2,0,0]=4 1881 B10R1.176 COC1=CC(O)=C(C)C=C1 M46827 [0,2,0,0,0,0|2,0,0]=4 1882 B10R1.176 COC1=CC(O)=C(I)C=C1 K45922 [0,2,0,0,0,0|2,0,0]=4 1883 B10R1.176 COC1=CC(O)=C(N)C=C1 A46394 [0,2,0,0,0,0|2,0,0]=4 1884 B10R1.176 COC1=CC(O)=C(N)C=C1 A46576 [0,2,0,0,0,0|2,0,0]=4 1885 B10R1.176 ClC1=C(Cl)C=C(CBr)C=C1 D44705 [0,2,0,0,0,0|1,0,0]=3 1886 B10R1.176 ClC1=C(I)C=C(CBr)C=N1 B42208 [0,2,0,0,0,0|2,0,0]=4 1887 B10R1.176 FC1=C(Br)C=C(CBr)C=C1 B44699 [0,2,0,0,0,0|1,0,0]=3 1888 B10R1.176 FC1=C(Br)C=C(CCl)C=N1 B42205 [0,2,0,0,0,0|2,0,0]=4 1889 B10R1.176 FC1=C(Br)C=CC(CBr)=C1 B44697 [0,2,0,0,0,0|1,0,0]=3 1890 B10R1.176 FC1=C(Cl)C=C(CBr)C=C1 B44717 [0,2,0,0,0,0|1,0,0]=3 1891 B10R1.176 FC1=C(Cl)C=C(CCl)C=C1 C44729 [0,2,0,0,0,0|1,0,0]=3 1892 B10R1.176 N#CC1=CC(Br)=C(Cl)C=C1 B44093 [0,2,0,0,0,0|1,0,1]=4 1893 B10R1.176 N#CC1=CC(Br)=C(F)C=C1 B44108 [0,2,0,0,0,0|1,0,1]=4 1894 B10R1.176 N#CC1=CC(Br)=C(I)C=C1 B44114 [0,2,0,0,0,0|1,0,1]=4 1895 B10R1.176 N#CC1=CC(Br)=C(N)C=C1 A44741 [0,2,0,0,0,0|1,0,1]=4 1896 B10R1.176 N#CC1=CC(Br)=C(O)C=C1 B44522 [0,2,0,0,0,0|1,0,1]=4 1897 B10R1.176 N#CC1=CC(Cl)=C(Br)C=C1 B44096 [0,2,0,0,0,0|1,0,1]=4 1898 B10R1.176 N#CC1=CC(Cl)=C(Cl)C=C1 D44116 [0,2,0,0,0,0|1,0,1]=4 1899 B10R1.176 N#CC1=CC(Cl)=C(F)C=C1 C39316 [0,2,0,0,0,0|1,0,1]=4 1900 B10R1.176 N#CC1=CC(Cl)=C(N)C=C1 A44773 [0,2,0,0,0,0|1,0,1]=4 1901 B10R1.176 N#CC1=CC(Cl)=C(O)C=C1 C22522 [0,2,0,0,0,0|1,0,1]=4 1902 B10R1.176 N#CC1=CC(F)=C(Br)C=C1 B44110 [0,2,0,0,0,0|1,0,1]=4 1903 B10R1.176 N#CC1=CC(F)=C(Cl)C=C1 C44125 [0,2,0,0,0,0|1,0,1]=4 1904 B10R1.176 N#CC1=CC(F)=C(F)C=C1 D39317 [0,2,0,0,0,0|1,0,1]=4 1905 B10R1.176 N#CC1=CC(F)=C(I)C=C1 F44135 [0,2,0,0,0,0|1,0,1]=4 1906 B10R1.176 N#CC1=CC(F)=C(N)C=C1 A38484 [0,2,0,0,0,0|1,0,1]=4 1907 B10R1.176 N#CC1=CC(F)=C(O)C=C1 F44546 [0,2,0,0,0,0|1,0,1]=4 1908 B10R1.176 N#CC1=CC(I)=C(Cl)C=C1 C44131 [0,2,0,0,0,0|1,0,1]=4 1909 B10R1.176 N#CC1=CC(I)=C(N)C=C1 A44803 [0,2,0,0,0,0|1,0,1]=4 1910 B10R1.176 N#CC1=CC(I)=C(O)C=C1 H44558 [0,2,0,0,0,0|1,0,1]=4 1911 B10R1.176 N#CC1=CC(N)=C(Br)C=C1 A44739 [0,2,0,0,0,0|1,0,1]=4 1912 B10R1.176 N#CC1=CC(N)=C(Cl)C=C1 A44771 [0,2,0,0,0,0|1,0,1]=4 1913 B10R1.176 N#CC1=CC(N)=C(F)C=C1 A44794 [0,2,0,0,0,0|1,0,1]=4 1914 B10R1.176 N#CC1=CC(N)=C(N)C=C1 D45723 [0,2,0,0,0,0|1,0,1]=4 1915 B10R1.176 N#CC1=CC(N)=C(O)C=C1 A69485 [0,2,0,0,0,0|1,0,1]=4 1916 B10R1.176 N#CC1=CC(O)=C(Br)C=C1 B69537 [0,2,0,0,0,0|1,0,1]=4 1917 B10R1.176 N#CC1=CC(O)=C(Cl)C=C1 C44535 [0,2,0,0,0,0|1,0,1]=4 1918 B10R1.176 N#CC1=CC(O)=C(F)C=C1 F44549 [0,2,0,0,0,0|1,0,1]=4 1919 B10R1.176 N#CC1=CC(O)=C(O)C=C1 P68087 [0,2,0,0,0,0|1,0,1]=4 1920 B10R1.176 NC1=C(Br)C=C(CO)C=N1 A43064 [0,2,0,0,0,0|1,0,0]=3 1921 B10R1.176 NC1=C(Br)C=CC(CO)=C1 A63987 [0,2,0,0,0,0|0,0,0]=2 1922 B10R1.176 NC1=C(Br)C=NC(CO)=C1 A13425 [0,2,0,0,0,0|1,0,0]=3 1923 B10R1.176 NC1=C(F)C=CC(CO)=C1 A46218 [0,2,0,0,0,0|0,0,0]=2 1924 B10R1.176 NC1=C(O)C=CC(CO)=C1 A46403 [0,2,0,0,0,0|0,0,0]=2 1925 B10R1.176 NCC1=CC(Cl)=C(Br)C=C1 B45768 [0,2,0,0,0,0|1,0,0]=3 1926 B10R1.176 NCC1=CC(Cl)=C(Cl)C=C1 D45785 [0,2,0,0,0,0|1,0,0]=3 1927 B10R1.176 NCC1=CC(Cl)=C(F)C=C1 C45798 [0,2,0,0,0,0|1,0,0]=3 1928 B10R1.176 NCC1=CC(F)=C(Br)C=C1 B37399 [0,2,0,0,0,0|1,0,0]=3 1929 B10R1.176 NCC1=CC(F)=C(Cl)C=C1 C45803 [0,2,0,0,0,0|1,0,0]=3 1930 B10R1.176 NCC1=NC(Cl)=C(Br)C=C1 B36820 [0,2,0,0,0,0|2,0,0]=4 1931 B10R1.176 NNC1=CC(Cl)=C(Cl)C=C1 D42754 [0,2,0,0,0,0|2,0,0]=4 1932 B10R1.176 NNC1=CC(F)=C(Br)C=C1 B63571 [0,2,0,0,0,0|2,0,0]=4 1933 B10R1.176 NNC1=CC(F)=C(F)C=C1 D43516 [0,2,0,0,0,0|2,0,0]=4 1934 B10R1.176 O=CC1=CC(Br)=C(Br)C=C1 D44634 [0,2,0,0,0,0|0,0,2]=4 1935 B10R1.176 O=CC1=CC(Br)=C(Cl)C=C1 B44639 [0,2,0,0,0,0|0,0,2]=4 1936 B10R1.176 O=CC1=CC(Br)=C(F)C=C1 B64545 [0,2,0,0,0,0|0,0,2]=4 1937 B10R1.176 O=CC1=CC(Br)=C(O)C=C1 B45084 [0,2,0,0,0,0|0,0,2]=4 1938 B10R1.176 O=CC1=CC(Cl)=C(Br)C=C1 B44641 [0,2,0,0,0,0|0,0,2]=4 1939 B10R1.176 O=CC1=CC(Cl)=C(F)C=C1 C69059 [0,2,0,0,0,0|0,0,2]=4 1940 B10R1.176 O=CC1=CC(Cl)=C(O)C=C1 C45092 [0,2,0,0,0,0|0,0,2]=4 1941 B10R1.176 O=CC1=CC(F)=C(Br)C=C1 B18680 [0,2,0,0,0,0|0,0,2]=4 1942 B10R1.176 O=CC1=CC(F)=C(Cl)C=C1 C44666 [0,2,0,0,0,0|0,0,2]=4 1943 B10R1.176 O=CC1=CC(F)=C(F)C=C1 D39346 [0,2,0,0,0,0|0,0,2]=4 1944 B10R1.176 O=CC1=CC(F)=C(I)C=C1 F44687 [0,2,0,0,0,0|0,0,2]=4 1945 B10R1.176 O=CC1=CC(F)=C(O)C=C1 F45101 [0,2,0,0,0,0|0,0,2]=4 1946 B10R1.176 O=CC1=CC(I)=C(Cl)C=C1 C44674 [0,2,0,0,0,0|0,0,2]=4 1947 B10R1.176 O=CC1=CC(I)=C(O)C=C1 H69424 [0,2,0,0,0,0|0,0,2]=4 1948 B10R1.176 O=CC1=CC(O)=C(Br)C=C1 B36771 [0,2,0,0,0,0|0,0,2]=4 1949 B10R1.176 O=CC1=CC(O)=C(Cl)C=C1 C36636 [0,2,0,0,0,0|0,0,2]=4 1950 B10R1.176 O=CC1=CC(O)=C(I)C=C1 H61294 [0,2,0,0,0,0|0,0,2]=4 1951 B10R1.176 OCC1=CC(Br)=C(Cl)C=C1 B45556 [0,2,0,0,0,0|0,0,0]=2 1952 B10R1.176 OCC1=CC(Br)=C(O)C=C1 B45902 [0,2,0,0,0,0|0,0,0]=2 1953 B10R1.176 OCC1=CC(Cl)=C(Cl)C=C1 D45586 [0,2,0,0,0,0|0,0,0]=2 1954 B10R1.176 OCC1=CC(Cl)=C(F)C=N1 C5396 [0,2,0,0,0,0|1,0,0]=3 1955 B10R1.176 OCC1=CC(F)=C(Br)C=C1 B45570 [0,2,0,0,0,0|0,0,0]=2 1956 B10R1.176 OCC1=CC(F)=C(Cl)C=C1 C45597 [0,2,0,0,0,0|0,0,0]=2 1957 B10R1.176 OCC1=CC(F)=C(F)C=C1 D45608 [0,2,0,0,0,0|0,0,0]=2 1958 B10R1.176 OCC1=CC(I)=C(Cl)N=C1 C42675 [0,2,0,0,0,0|1,0,0]=3 1959 B10R1.176 OCC1=CC(O)=C(Br)C=C1 B45903 [0,2,0,0,0,0|0,0,0]=2 1960 B10R1.176 OCC1=CC(O)=C(F)C=C1 F45920 [0,2,0,0,0,0|0,0,0]=2 1961 B10R1.176 OCC1=CC(O)=C(I)C=C1 H45924 [0,2,0,0,0,0|0,0,0]=2 1962 B10R1.176 OCC1=CN=C(Cl)C(Cl)=C1 D9504 [0,2,0,0,0,0|1,0,0]=3 1963 B10R1.2 C#CC1=CC=CC(N)=C1F E47968 [0,2,0,0,0,0|1,0,1]=4 1964 B10R1.2 CC1=C(Br)C=CC=C1C#N B47948 [0,2,0,0,0,0|1,0,1]=4 1965 B10R1.2 CC1=C(Br)C=CC=C1C=O B48713 [0,2,0,0,0,0|0,0,2]=4 1966 B10R1.2 CC1=C(Br)C=CC=C1CO B36982 [0,2,0,0,0,0|0,0,0]=2 1967 B10R1.2 CC1=C(C=O)C=CC=C1O H49071 [0,2,0,0,0,0|0,0,2]=4 1968 B10R1.2 CC1=C(Cl)C=CC=C1C#N C47962 [0,2,0,0,0,0|1,0,1]=4 1969 B10R1.2 CC1=C(F)C=CC=C1C#N F47975 [0,2,0,0,0,0|1,0,1]=4 1970 B10R1.2 CC1=C(F)C=CC=C1C=O F48740 [0,2,0,0,0,0|0,0,2]=4 1971 B10R1.2 CC1=C(O)C=CC=C1C#N H48446 [0,2,0,0,0,0|1,0,1]=4 1972 B10R1.2 CC1=CC=CC(C#N)=C1Br B47944 [0,2,0,0,0,0|1,0,1]=4 1973 B10R1.2 CC1=CC=CC(C#N)=C1C D51672 [0,2,0,0,0,0|1,0,1]=4 1974 B10R1.2 CC1=CC=CC(C#N)=C1F F47971 [0,2,0,0,0,0|1,0,1]=4 1975 B10R1.2 CC1=CC=CC(C#N)=C1N A48780 [0,2,0,0,0,0|1,0,1]=4 1976 B10R1.2 CC1=CC=CC(C#N)=C1O H63985 [0,2,0,0,0,0|1,0,1]=4 1977 B10R1.2 CC1=CC=CC(C=O)=C1Br B37238 [0,2,0,0,0,0|0,0,2]=4 1978 B10R1.2 CC1=CC=CC(C=O)=C1C D49873 [0,2,0,0,0,0|0,0,2]=4 1979 B10R1.2 CC1=CC=CC(C=O)=C1O M49066 [0,2,0,0,0,0|0,0,2]=4 1980 B10R1.2 CC1=CC=CC(CBr)=C1C B49965 [0,2,0,0,0,0|1,0,0]=3 1981 B10R1.2 CC1=CC=CC(CN)=C1O A49525 [0,2,0,0,0,0|1,0,0]=3 1982 B10R1.2 CC1=CC=CC(CO)=C1C D50272 [0,2,0,0,0,0|0,0,0]=2 1983 B10R1.2 CC1=CC=CC(CO)=C1N A46912 [0,2,0,0,0,0|0,0,0]=2 1984 B10R1.2 CN1C=CC=C(CN)C1=O A10236 [0,2,0,0,0,0|2,0,0]=4 1985 B10R1.2 CN1C=CC=C(CO)C1=O M0353 [0,2,0,0,0,0|1,0,0]=3 1986 B10R1.2 CNC1=C(N)C(C)=CC=C1 D46971 [0,2,0,0,0,0|2,0,0]=4 1987 B10R1.2 COC1=C(Br)C(C)=CC=C1 B49438 [0,2,0,0,0,0|2,0,0]=4 1988 B10R1.2 COC1=C(Br)C(N)=CC=C1 B46150 [0,2,0,0,0,0|2,0,0]=4 1989 B10R1.2 COC1=C(Br)C(O)=CC=C1 B37391 [0,2,0,0,0,0|2,0,0]=4 1990 B10R1.2 COC1=C(C)C(C)=CC=C1 M50276 [0,2,0,0,0,0|2,0,0]=4 1991 B10R1.2 COC1=C(C)C(N)=CC=C1 M46898 [0,2,0,0,0,0|2,0,0]=4 1992 B10R1.2 COC1=C(C)C(N)=CC=C1 M49523 [0,2,0,0,0,0|2,0,0]=4 1993 B10R1.2 COC1=C(Cl)C(N)=CC=C1 C15640 [0,2,0,0,0,0|2,0,0]=4 1994 B10R1.2 COC1=C(Cl)C(N)=CC=C1 C64073 [0,2,0,0,0,0|2,0,0]=4 1995 B10R1.2 COC1=C(Cl)C(O)=CC=C1 C38626 [0,2,0,0,0,0|2,0,0]=4 1996 B10R1.2 COC1=C(F)C(N)=CC=C1 F36888 [0,2,0,0,0,0|2,0,0]=4 1997 B10R1.2 COC1=C(I)C(N)=CC=C1 K46227 [0,2,0,0,0,0|2,0,0]=4 1998 B10R1.2 COC1=C(N)C(C)=CC=C1 M46896 [0,2,0,0,0,0|2,0,0]=4 1999 B10R1.2 COC1=C(N)C(N)=CC=C1 M36728 [0,2,0,0,0,0|2,0,0]=4 2000 B10R1.2 COC1=C(N)C(O)=CC=C1 A46392 [0,2,0,0,0,0|2,0,0]=4 2001 B10R1.2 COC1=C(O)C(C)=CC=C1 M46825 [0,2,0,0,0,0|2,0,0]=4 2002 B10R1.2 COC1=C(O)C(N)=CC=C1 A46577 [0,2,0,0,0,0|2,0,0]=4 2003 B10R1.2 COC1=CC=CC(Br)=C1Br D45548 [0,2,0,0,0,0|2,0,0]=4 2004 B10R1.2 COC1=CC=CC(Br)=C1C B49435 [0,2,0,0,0,0|2,0,0]=4 2005 B10R1.2 COC1=CC=CC(Br)=C1Cl B45552 [0,2,0,0,0,0|2,0,0]=4 2006 B10R1.2 COC1=CC=CC(Br)=C1F B45572 [0,2,0,0,0,0|2,0,0]=4 2007 B10R1.2 COC1=CC=CC(Br)=C1I B45581 [0,2,0,0,0,0|2,0,0]=4 2008 B10R1.2 COC1=CC=CC(Br)=C1N B36703 [0,2,0,0,0,0|2,0,0]=4 2009 B10R1.2 COC1=CC=CC(Br)=C1O B1786 [0,2,0,0,0,0|2,0,0]=4 2010 B10R1.2 COC1=CC=CC(Cl)=C1Cl D39394 [0,2,0,0,0,0|2,0,0]=4 2011 B10R1.2 COC1=CC=CC(Cl)=C1F C45598 [0,2,0,0,0,0|2,0,0]=4 2012 B10R1.2 COC1=CC=CC(Cl)=C1N C46186 [0,2,0,0,0,0|2,0,0]=4 2013 B10R1.2 COC1=CC=CC(F)=C1Br B45576 [0,2,0,0,0,0|2,0,0]=4 2014 B10R1.2 COC1=CC=CC(F)=C1F D45604 [0,2,0,0,0,0|2,0,0]=4 2015 B10R1.2 COC1=CC=CC(F)=C1N F38548 [0,2,0,0,0,0|2,0,0]=4 2016 B10R1.2 COC1=CC=CC(F)=C1O F45916 [0,2,0,0,0,0|2,0,0]=4 2017 B10R1.2 COC1=CC=CC(I)=C1Br B63575 [0,2,0,0,0,0|2,0,0]=4 2018 B10R1.2 COC1=CC=CC(I)=C1O K45923 [0,2,0,0,0,0|2,0,0]=4 2019 B10R1.2 ClC1=CC=CC(CBr)=C1Cl B44706 [0,2,0,0,0,0|1,0,0]=3 2020 B10R1.2 FC1=C(Br)C(CBr)=CC=C1 B44698 [0,2,0,0,0,0|1,0,0]=3 2021 B10R1.2 FC1=C(Br)C=CC=C1CBr B44695 [0,2,0,0,0,0|1,0,0]=3 2022 B10R1.2 FC1=C(CBr)C=CC=C1Cl B44715 [0,2,0,0,0,0|1,0,0]=3 2023 B10R1.2 FC1=CC=CC(CBr)=C1Cl B44713 [0,2,0,0,0,0|1,0,0]=3 2024 B10R1.2 FC1=CC=CC(CBr)=C1F D44722 [0,2,0,0,0,0|1,0,0]=3 2025 B10R1.2 N#CC1=C(N)C(N)=CC=C1 D45721 [0,2,0,0,0,0|1,0,1]=4 2026 B10R1.2 N#CC1=CC=CC(Br)=C1Cl B38597 [0,2,0,0,0,0|1,0,1]=4 2027 B10R1.2 N#CC1=CC=CC(Br)=C1F B44107 [0,2,0,0,0,0|1,0,1]=4 2028 B10R1.2 N#CC1=CC=CC(Br)=C1N A8718 [0,2,0,0,0,0|1,0,1]=4 2029 B10R1.2 N#CC1=CC=CC(Br)=C1O B10619 [0,2,0,0,0,0|1,0,1]=4 2030 B10R1.2 N#CC1=CC=CC(Cl)=C1Cl D44115 [0,2,0,0,0,0|1,0,1]=4 2031 B10R1.2 N#CC1=CC=CC(Cl)=C1F C44122 [0,2,0,0,0,0|1,0,1]=4 2032 B10R1.2 N#CC1=CC=CC(Cl)=C1N A44769 [0,2,0,0,0,0|1,0,1]=4 2033 B10R1.2 N#CC1=CC=CC(F)=C1Br B44103 [0,2,0,0,0,0|1,0,1]=4 2034 B10R1.2 N#CC1=CC=CC(F)=C1Cl C62308 [0,2,0,0,0,0|1,0,1]=4 2035 B10R1.2 N#CC1=CC=CC(F)=C1F D67980 [0,2,0,0,0,0|1,0,1]=4 2036 B10R1.2 N#CC1=CC=CC(F)=C1I F44134 [0,2,0,0,0,0|1,0,1]=4 2037 B10R1.2 N#CC1=CC=CC(F)=C1N A37388 [0,2,0,0,0,0|1,0,1]=4 2038 B10R1.2 N#CC1=CC=CC(F)=C1O F44545 [0,2,0,0,0,0|1,0,1]=4 2039 B10R1.2 N#CC1=CC=CC(N)=C1Br A44738 [0,2,0,0,0,0|1,0,1]=4 2040 B10R1.2 N#CC1=CC=CC(O)=C1Br B44520 [0,2,0,0,0,0|1,0,1]=4 2041 B10R1.2 N#CC1=CC=CC(O)=C1Cl C44532 [0,2,0,0,0,0|1,0,1]=4 2042 B10R1.2 N#CC1=CC=CC(O)=C1N A45219 [0,2,0,0,0,0|1,0,1]=4 2043 B10R1.2 N#CC1=CC=CC(O)=C1O D69156 [0,2,0,0,0,0|1,0,1]=4 2044 B10R1.2 NC1=C(Br)C=CC=C1C=O A37975 [0,2,0,0,0,0|0,0,2]=4 2045 B10R1.2 NC1=C(Br)C=CC=C1CO A46163 [0,2,0,0,0,0|0,0,0]=2 2046 B10R1.2 NC1=C(Br)C=NC=C1CO A43063 [0,2,0,0,0,0|1,0,0]=3 2047 B10R1.2 NC1=C(Cl)C=CC=C1C=O A45479 [0,2,0,0,0,0|0,0,2]=4 2048 B10R1.2 NC1=C(Cl)C=CC=C1CO A46194 [0,2,0,0,0,0|0,0,0]=2 2049 B10R1.2 NC1=C(F)C(CO)=CC=C1 A46217 [0,2,0,0,0,0|0,0,0]=2 2050 B10R1.2 NC1=C(F)C=CC=C1C=O A45494 [0,2,0,0,0,0|0,0,2]=4 2051 B10R1.2 NC1=C(F)C=CC=C1CO A46214 [0,2,0,0,0,0|0,0,0]=2 2052 B10R1.2 NC1=CC=CC(CO)=C1N D43630 [0,2,0,0,0,0|0,0,0]=2 2053 B10R1.2 NCC1=CC=CC(Br)=C1F B45783 [0,2,0,0,0,0|1,0,0]=3 2054 B10R1.2 NCC1=CC=CC(Br)=C1F B67797 [0,2,0,0,0,0|1,0,0]=3 2055 B10R1.2 NCC1=CC=CC(F)=C1Br B45782 [0,2,0,0,0,0|1,0,0]=3 2056 B10R1.2 NCC1=CC=CC(I)=C1Br B45784 [0,2,0,0,0,0|1,0,0]=3 2057 B10R1.2 NCC1=CC=CC(I)=C1Cl C45806 [0,2,0,0,0,0|1,0,0]=3 2058 B10R1.2 NNC1=CC=CC(Cl)=C1Cl D42756 [0,2,0,0,0,0|2,0,0]=4 2059 B10R1.2 NNC1=CC=CC(Cl)=C1F C42763 [0,2,0,0,0,0|2,0,0]=4 2060 B10R1.2 NNC1=CC=CC(F)=C1Cl C42759 [0,2,0,0,0,0|2,0,0]=4 2061 B10R1.2 NNC1=CC=CC(F)=C1F D38781 [0,2,0,0,0,0|2,0,0]=4 2062 B10R1.2 O=CC1=C(O)C(O)=CC=C1 D67865 [0,2,0,0,0,0|0,0,2]=4 2063 B10R1.2 O=CC1=CC=CC(Br)=C1Br D44631 [0,2,0,0,0,0|0,0,2]=4 2064 B10R1.2 O=CC1=CC=CC(Br)=C1Cl B44638 [0,2,0,0,0,0|0,0,2]=4 2065 B10R1.2 O=CC1=CC=CC(Br)=C1F B20106 [0,2,0,0,0,0|0,0,2]=4 2066 B10R1.2 O=CC1=CC=CC(Br)=C1O B9977 [0,2,0,0,0,0|0,0,2]=4 2067 B10R1.2 O=CC1=CC=CC(Cl)=C1Br B38610 [0,2,0,0,0,0|0,0,2]=4 2068 B10R1.2 O=CC1=CC=CC(Cl)=C1Cl D69137 [0,2,0,0,0,0|0,0,2]=4 2069 B10R1.2 O=CC1=CC=CC(Cl)=C1F C44664 [0,2,0,0,0,0|0,0,2]=4 2070 B10R1.2 O=CC1=CC=CC(Cl)=C1O C45091 [0,2,0,0,0,0|0,0,2]=4 2071 B10R1.2 O=CC1=CC=CC(F)=C1Br B44644 [0,2,0,0,0,0|0,0,2]=4 2072 B10R1.2 O=CC1=CC=CC(F)=C1Cl C44662 [0,2,0,0,0,0|0,0,2]=4 2073 B10R1.2 O=CC1=CC=CC(F)=C1F D28638 [0,2,0,0,0,0|0,0,2]=4 2074 B10R1.2 O=CC1=CC=CC(F)=C1O F45096 [0,2,0,0,0,0|0,0,2]=4 2075 B10R1.2 O=CC1=CC=CC(O)=C1Br B45081 [0,2,0,0,0,0|0,0,2]=4 2076 B10R1.2 O=CC1=CC=CC(O)=C1Cl C45088 [0,2,0,0,0,0|0,0,2]=4 2077 B10R1.2 O=CC1=CC=CC(O)=C1F F45097 [0,2,0,0,0,0|0,0,2]=4 2078 B10R1.2 OCC1=C(F)C(Br)=NC=C1 B42655 [0,2,0,0,0,0|1,0,0]=3 2079 B10R1.2 OCC1=CC=CC(Br)=C1Cl B45555 [0,2,0,0,0,0|0,0,0]=2 2080 B10R1.2 OCC1=CC=CC(Br)=C1F B37891 [0,2,0,0,0,0|0,0,0]=2 2081 B10R1.2 OCC1=CC=CC(Cl)=C1Cl D45588 [0,2,0,0,0,0|0,0,0]=2 2082 B10R1.2 OCC1=CC=CC(F)=C1F D45606 [0,2,0,0,0,0|0,0,0]=2 2083 B10R1.2 OCC1=CC=CC(I)=C1Br B45578 [0,2,0,0,0,0|0,0,0]=2 2084 B10R1.8 BrCC1=CC(Br)=CC(Br)=C1 D44704 [0,2,0,0,0,0|1,0,0]=3 2085 B10R1.8 C#CC1=CC(F)=CC(F)=C1 E47323 [0,2,0,0,0,0|1,0,1]=4 2086 B10R1.8 CC1=CC(Br)=CC(C#N)=C1 B47949 [0,2,0,0,0,0|1,0,1]=4 2087 B10R1.8 CC1=CC(Br)=CC(C=O)=C1 B48715 [0,2,0,0,0,0|0,0,2]=4 2088 B10R1.8 CC1=CC(Br)=CC(CN)=N1 B38998 [0,2,0,0,0,0|2,0,0]=4 2089 B10R1.8 CC1=CC(Br)=CC(CO)=N1 B46176 [0,2,0,0,0,0|1,0,0]=3 2090 B10R1.8 CC1=CC(C)=CC(C#N)=C1 D51675 [0,2,0,0,0,0|1,0,1]=4 2091 B10R1.8 CC1=CC(C)=CC(C=O)=C1 D49876 [0,2,0,0,0,0|0,0,2]=4 2092 B10R1.8 CC1=CC(C)=CC(CBr)=C1 B49967 [0,2,0,0,0,0|1,0,0]=3 2093 B10R1.8 CC1=CC(C)=CC(NN)=C1 D49537 [0,2,0,0,0,0|2,0,0]=4 2094 B10R1.8 CC1=CC(C)=NC(CO)=N1 D24164 [0,2,0,0,0,0|2,0,0]=4 2095 B10R1.8 CC1=CC(C=O)=CC(O)=C1 H49072 [0,2,0,0,0,0|0,0,2]=4 2096 B10R1.8 CC1=CC(CCl)=CC(C)=N1 C37487 [0,2,0,0,0,0|2,0,0]=4 2097 B10R1.8 CC1=CC(CO)=CC(C)=N1 D3612 [0,2,0,0,0,0|1,0,0]=3 2098 B10R1.8 CC1=CC(Cl)=CC(C=O)=C1 C48729 [0,2,0,0,0,0|0,0,2]=4 2099 B10R1.8 CC1=CC(F)=CC(C#N)=C1 F47977 [0,2,0,0,0,0|1,0,1]=4 2100 B10R1.8 CC1=CC(F)=CC(C=O)=C1 F38057 [0,2,0,0,0,0|0,0,2]=4 2101 B10R1.8 CC1=CC(O)=CC(C#N)=C1 H48448 [0,2,0,0,0,0|1,0,1]=4 2102 B10R1.8 CCC1=CC(Br)=CC(N)=C1 B69513 [0,2,0,0,0,0|1,0,0]=3 2103 B10R1.8 CCC1=CC(C)=CC(O)=C1 E50268 [0,2,0,0,0,0|1,0,0]=3 2104 B10R1.8 COC1=CC(Br)=CC(Br)=C1 D45551 [0,2,0,0,0,0|2,0,0]=4 2105 B10R1.8 COC1=CC(Br)=CC(Cl)=C1 B45561 [0,2,0,0,0,0|2,0,0]=4 2106 B10R1.8 COC1=CC(Br)=CC(F)=C1 B45574 [0,2,0,0,0,0|2,0,0]=4 2107 B10R1.8 COC1=CC(C)=CC(Br)=C1 B49436 [0,2,0,0,0,0|2,0,0]=4 2108 B10R1.8 COC1=CC(C)=CC(C)=C1 M50277 [0,2,0,0,0,0|2,0,0]=4 2109 B10R1.8 COC1=CC(C)=CC(F)=C1 F49465 [0,2,0,0,0,0|2,0,0]=4 2110 B10R1.8 COC1=CC(F)=CC(F)=C1 D45609 [0,2,0,0,0,0|2,0,0]=4 2111 B10R1.8 COC1=CC(N)=CC(Br)=C1 B38030 [0,2,0,0,0,0|2,0,0]=4 2112 B10R1.8 COC1=CC(N)=CC(C)=C1 M46900 [0,2,0,0,0,0|2,0,0]=4 2113 B10R1.8 COC1=CC(N)=CC(Cl)=C1 C46188 [0,2,0,0,0,0|2,0,0]=4 2114 B10R1.8 COC1=CC(N)=CC(F)=C1 F46207 [0,2,0,0,0,0|2,0,0]=4 2115 B10R1.8 COC1=CC(O)=CC(Br)=C1 B45900 [0,2,0,0,0,0|2,0,0]=4 2116 B10R1.8 COC1=CC(O)=CC(Cl)=C1 C45911 [0,2,0,0,0,0|2,0,0]=4 2117 B10R1.8 COC1=CC(O)=CC(F)=C1 F45917 [0,2,0,0,0,0|2,0,0]=4 2118 B10R1.8 COC1=CC(O)=CC(N)=C1 A46395 [0,2,0,0,0,0|2,0,0]=4 2119 B10R1.8 COC1=CC([Mg+])=CC(F)=C1 F31772 [0,2,0,0,0,0|2,0,0]=4 2120 B10R1.8 ClC1=CC(CBr)=CC(Cl)=N1 B4915 [0,2,0,0,0,0|2,0,0]=4 2121 B10R1.8 ClC1=CC(Cl)=CC(CBr)=C1 B44707 [0,2,0,0,0,0|1,0,0]=3 2122 B10R1.8 ClCC1=CC(Cl)=CC(Cl)=C1 D44731 [0,2,0,0,0,0|1,0,0]=3 2123 B10R1.8 FC1=CC(CBr)=CC(Br)=C1 B44696 [0,2,0,0,0,0|1,0,0]=3 2124 B10R1.8 FC1=CC(F)=CC(CBr)=C1 D19556 [0,2,0,0,0,0|1,0,0]=3 2125 B10R1.8 N#CC1=CC(Br)=CC(Br)=C1 D44089 [0,2,0,0,0,0|1,0,1]=4 2126 B10R1.8 N#CC1=CC(Br)=CC(Cl)=C1 B44094 [0,2,0,0,0,0|1,0,1]=4 2127 B10R1.8 N#CC1=CC(Br)=CC(F)=C1 B44109 [0,2,0,0,0,0|1,0,1]=4 2128 B10R1.8 N#CC1=CC(Br)=CC(N)=C1 A44743 [0,2,0,0,0,0|1,0,1]=4 2129 B10R1.8 N#CC1=CC(Br)=CC(O)=C1 B38705 [0,2,0,0,0,0|1,0,1]=4 2130 B10R1.8 N#CC1=CC(Cl)=CC(F)=C1 C44123 [0,2,0,0,0,0|1,0,1]=4 2131 B10R1.8 N#CC1=CC(Cl)=CC(N)=C1 A69511 [0,2,0,0,0,0|1,0,1]=4 2132 B10R1.8 N#CC1=CC(Cl)=CC(O)=C1 C38487 [0,2,0,0,0,0|1,0,1]=4 2133 B10R1.8 N#CC1=CC(F)=CC(F)=C1 D44133 [0,2,0,0,0,0|1,0,1]=4 2134 B10R1.8 N#CC1=CC(F)=CC(N)=C1 A44795 [0,2,0,0,0,0|1,0,1]=4 2135 B10R1.8 N#CC1=CC(F)=CC(O)=C1 F44547 [0,2,0,0,0,0|1,0,1]=4 2136 B10R1.8 N#CC1=CC(I)=CC(F)=C1 F44136 [0,2,0,0,0,0|1,0,1]=4 2137 B10R1.8 NC1=CC(CO)=CC(Cl)=C1 A46198 [0,2,0,0,0,0|0,0,0]=2 2138 B10R1.8 NC1=CC(N)=NC(CO)=N1 A8780 [0,2,0,0,0,0|2,0,0]=4 2139 B10R1.8 NCC1=CC(Cl)=CC(Cl)=C1 D45786 [0,2,0,0,0,0|1,0,0]=3 2140 B10R1.8 NCC1=CC(Cl)=CC(F)=C1 C45799 [0,2,0,0,0,0|1,0,0]=3 2141 B10R1.8 NCC1=CC(Cl)=NC(Cl)=C1 D42745 [0,2,0,0,0,0|2,0,0]=4 2142 B10R1.8 NCC1=CC(F)=CC(F)=C1 D45808 [0,2,0,0,0,0|1,0,0]=3 2143 B10R1.8 NNC1=CC(Cl)=CC(Cl)=C1 D42755 [0,2,0,0,0,0|2,0,0]=4 2144 B10R1.8 NNC1=CC(F)=CC(F)=C1 D43517 [0,2,0,0,0,0|2,0,0]=4 2145 B10R1.8 NOC1=CC(Cl)=CC(Cl)=C1 D42663 [0,2,0,0,0,0|2,0,0]=4 2146 B10R1.8 O=C1C=C(CO)NC(=O)N1 H66447 [0,2,0,0,0,0|2,0,0]=4 2147 B10R1.8 O=CC1=CC(Br)=CC(Br)=C1 D44635 [0,2,0,0,0,0|0,0,2]=4 2148 B10R1.8 O=CC1=CC(Br)=CC(Cl)=C1 B44640 [0,2,0,0,0,0|0,0,2]=4 2149 B10R1.8 O=CC1=CC(Br)=CC(F)=C1 B44645 [0,2,0,0,0,0|0,0,2]=4 2150 B10R1.8 O=CC1=CC(Br)=CC(O)=C1 B38127 [0,2,0,0,0,0|0,0,2]=4 2151 B10R1.8 O=CC1=CC(Cl)=CC(Cl)=C1 D44661 [0,2,0,0,0,0|0,0,2]=4 2152 B10R1.8 O=CC1=CC(Cl)=CC(F)=C1 C44665 [0,2,0,0,0,0|0,0,2]=4 2153 B10R1.8 O=CC1=CC(Cl)=CC(O)=C1 C45093 [0,2,0,0,0,0|0,0,2]=4 2154 B10R1.8 O=CC1=CC(F)=CC(F)=C1 D23035 [0,2,0,0,0,0|0,0,2]=4 2155 B10R1.8 O=CC1=CC(F)=CC(O)=C1 F45102 [0,2,0,0,0,0|0,0,2]=4 2156 B10R1.8 O=CC1=CC(I)=CC(Br)=C1 B44659 [0,2,0,0,0,0|0,0,2]=4 2157 B10R1.8 O=CC1=CC(I)=CC(I)=C1 D62998 [0,2,0,0,0,0|0,0,2]=4 2158 B10R1.8 O=CC1=CC(O)=CC(O)=C1 D45523 [0,2,0,0,0,0|0,0,2]=4 2159 B10R1.8 OCC1=CC(Br)=CC(Br)=C1 D45547 [0,2,0,0,0,0|0,0,0]=2 2160 B10R1.8 OCC1=CC(Br)=CC(F)=C1 B38393 [0,2,0,0,0,0|0,0,0]=2 2161 B10R1.8 OCC1=CC(Br)=NC(Br)=C1 D15391 [0,2,0,0,0,0|1,0,0]=3 2162 B10R1.8 OCC1=CC(Cl)=CC(Cl)=C1 D45587 [0,2,0,0,0,0|0,0,0]=2 2163 B10R1.8 OCC1=CC(Cl)=CC(Cl)=N1 D38835 [0,2,0,0,0,0|1,0,0]=3 2164 B10R1.8 OCC1=CC(Cl)=NC(Cl)=C1 D9371 [0,2,0,0,0,0|1,0,0]=3 2165 B10R1.8 OCC1=CC(I)=CC(I)=C1 D45611 [0,2,0,0,0,0|0,0,0]=2 2166 B10R1.8 OCC1=NC(Cl)=CC(Cl)=N1 D32146 [0,2,0,0,0,0|2,0,0]=4 2167 B10R1.8 OCC1=NC(Cl)=NC(Cl)=C1 C23036 [0,2,0,0,0,0|2,0,0]=4 2168 B10R1.10 BrCCC1=CC=CC(Br)=C1 B23535 [0,2,0,0,0,0|1,0,0]=3 2169 B10R1.10 CC1=CC=CC(CC#N)=C1 M67706 [0,2,0,0,0,0|1,0,0]=3 2170 B10R1.10 CC1=CC=CC(CCCl)=C1 C49969 [0,2,0,0,0,0|1,0,0]=3 2171 B10R1.10 CC1=NC=CC(CC#N)=C1 M29959 [0,2,0,0,0,0|2,0,0]=4 2172 B10R1.10 CCNC1=NC=CC(N)=C1 A43751 [0,2,0,0,0,0|2,0,0]=4 2173 B10R1.10 CCOC1=CC(Br)=CN=C1 B46155 [0,2,0,0,0,0|2,0,0]=4 2174 B10R1.10 CCOC1=CC(Br)=NC=C1 B21763 [0,2,0,0,0,0|2,0,0]=4 2175 B10R1.10 CCOC1=CC(Cl)=NC=C1 C46183 [0,2,0,0,0,0|2,0,0]=4 2176 B10R1.10 CCOC1=CC(F)=NC=C1 E46208 [0,2,0,0,0,0|2,0,0]=4 2177 B10R1.10 CCOC1=CC(N)=CC=C1 E64076 [0,2,0,0,0,0|1,0,0]=3 2178 B10R1.10 CCOC1=CC(N)=NC=C1 A43626 [0,2,0,0,0,0|2,0,0]=4 2179 B10R1.10 CCOC1=CC=CC(Br)=C1 B49423 [0,2,0,0,0,0|1,0,0]=3 2180 B10R1.10 CCOC1=CC=CC(F)=C1 E49455 [0,2,0,0,0,0|1,0,0]=3 2181 B10R1.10 CCOC1=CC=CC([Mg+])=C1 E31766 [0,2,0,0,0,0|1,0,0]=3 2182 B10R1.10 CCOC1=CN=CC(N)=C1 E36780 [0,2,0,0,0,0|2,0,0]=4 2183 B10R1.10 CCOC1=NC=CC(Br)=C1 B24368 [0,2,0,0,0,0|2,0,0]=4 2184 B10R1.10 CCOC1=NC=CC(N)=C1 A43627 [0,2,0,0,0,0|2,0,0]=4 2185 B10R1.10 CCSC1=CC=CC(Br)=C1 B3190 [0,2,0,0,0,0|1,0,0]=3 2186 B10R1.10 CNCC1=CC(Br)=CN=C1 B46290 [0,2,0,0,0,0|2,0,0]=4 2187 B10R1.10 CNCC1=CC(C)=CC=C1 M50313 [0,2,0,0,0,0|1,0,0]=3 2188 B10R1.10 CNCC1=CC(N)=CC=C1 M46965 [0,2,0,0,0,0|1,0,0]=3 2189 B10R1.10 CNCC1=CC=CC(Cl)=C1 C46754 [0,2,0,0,0,0|1,0,0]=3 2190 B10R1.10 CNCC1=NC=CC(Cl)=C1 C46305 [0,2,0,0,0,0|2,0,0]=4 2191 B10R1.10 COCC1=CC(Cl)=NC=N1 C61748 [0,2,0,0,0,0|2,0,0]=4 2192 B10R1.10 COCC1=CC=NC(Cl)=N1 C43072 [0,2,0,0,0,0|2,0,0]=4 2193 B10R1.10 ClC1=CC=CC(CCBr)=C1 C48759 [0,2,0,0,0,0|1,0,0]=3 2194 B10R1.10 N#CCC1=CC(Br)=CN=C1 B10466 [0,2,0,0,0,0|2,0,0]=4 2195 B10R1.10 N#CCC1=CC(F)=CN=C1 F12036 [0,2,0,0,0,0|2,0,0]=4 2196 B10R1.10 N#CCC1=CC(N)=CC=C1 A48787 [0,2,0,0,0,0|1,0,0]=3 2197 B10R1.10 N#CCC1=CC=CC(Br)=C1 B23025 [0,2,0,0,0,0|1,0,0]=3 2198 B10R1.10 N#CCC1=CC=CC(Cl)=C1 C69079 [0,2,0,0,0,0|1,0,0]=3 2199 B10R1.10 N#CCC1=CC=CC(F)=C1 F39467 [0,2,0,0,0,0|1,0,0]=3 2200 B10R1.10 N#CCC1=CC=CC(O)=C1 H48451 [0,2,0,0,0,0|1,0,0]=3 2201 B10R1.10 N#CCC1=NC=CC(F)=C1 F44801 [0,2,0,0,0,0|2,0,0]=4 2202 B10R1.10 NCCC1=CC(=O)NC=C1 A46457 [0,2,0,0,0,0|2,0,0]=4 2203 B10R1.10 NCCC1=CC=CC(Br)=C1 B46722 [0,2,0,0,0,0|1,0,0]=3 2204 B10R1.10 NCCC1=CC=CC(Br)=C1 B68552 [0,2,0,0,0,0|1,0,0]=3 2205 B10R1.10 NCCC1=CC=CC(Cl)=C1 C10742 [0,2,0,0,0,0|1,0,0]=3 2206 B10R1.10 NCCC1=CC=CC(F)=C1 F38570 [0,2,0,0,0,0|1,0,0]=3 2207 B10R1.10 NCCC1=CC=CC(F)=C1 F46762 [0,2,0,0,0,0|1,0,0]=3 2208 B10R1.10 NCCC1=CC=CC(O)=C1 A49522 [0,2,0,0,0,0|1,0,0]=3 2209 B10R1.10 NNCC1=CC(Br)=CN=C1 B12725 [0,2,0,0,0,0|2,0,0]=4 2210 B10R1.10 NNCC1=CC=CC(Br)=C1 B12216 [0,2,0,0,0,0|1,0,0]=3 2211 B10R1.10 NNCC1=CC=CC(Cl)=C1 C12217 [0,2,0,0,0,0|1,0,0]=3 2212 B10R1.10 NNCC1=CC=CC(Cl)=C1 C46306 [0,2,0,0,0,0|1,0,0]=3 2213 B10R1.10 NNCC1=CC=CC(F)=C1 F0091 [0,2,0,0,0,0|1,0,0]=3 2214 B10R1.10 NNCC1=CC=CC(F)=C1 F10204 [0,2,0,0,0,0|1,0,0]=3 2215 B10R1.10 OCCC1=CC=CC(Br)=C1 B22812 [0,2,0,0,0,0|0,0,0]=2 2216 B10R1.10 OCCC1=CC=CC(Br)=N1 B46160 [0,2,0,0,0,0|1,0,0]=3 2217 B10R1.10 OCCC1=CC=CC(Cl)=C1 C49444 [0,2,0,0,0,0|0,0,0]=2 2218 B10R1.10 OCCC1=CC=CC(F)=C1 F49458 [0,2,0,0,0,0|0,0,0]=2 2219 B10R1.30 C#CC1=C(Cl)C=CC(N)=C1 C47957 [0,2,0,0,0,0|1,0,1]=4 2220 B10R1.30 C#CC1=C(F)C=CC(N)=C1 E47969 [0,2,0,0,0,0|1,0,1]=4 2221 B10R1.30 C#CC1=C(N)C=CC(C)=C1 E51676 [0,2,0,0,0,0|1,0,1]=4 2222 B10R1.30 CC1=C(C#N)C=C(Br)C=C1 B47952 [0,2,0,0,0,0|1,0,1]=4 2223 B10R1.30 CC1=C(C#N)C=C(F)C=C1 F47980 [0,2,0,0,0,0|1,0,1]=4 2224 B10R1.30 CC1=C(C#N)C=C(I)C=C1 K47986 [0,2,0,0,0,0|1,0,1]=4 2225 B10R1.30 CC1=C(C#N)C=C(N)C=C1 A48785 [0,2,0,0,0,0|1,0,1]=4 2226 B10R1.30 CC1=C(C=O)C=C(Br)C=C1 B48718 [0,2,0,0,0,0|0,0,2]=4 2227 B10R1.30 CC1=C(C=O)C=C(F)C=C1 F48743 [0,2,0,0,0,0|0,0,2]=4 2228 B10R1.30 CC1=C(CBr)C=C(F)C=C1 B48769 [0,2,0,0,0,0|1,0,0]=3 2229 B10R1.30 CC1=C(CO)C=C(Br)C=C1 B67343 [0,2,0,0,0,0|0,0,0]=2 2230 B10R1.30 CC1=C(CO)C=C(I)C=C1 K49473 [0,2,0,0,0,0|0,0,0]=2 2231 B10R1.30 CC1=C(NN)C=C(Br)C=C1 B62458 [0,2,0,0,0,0|2,0,0]=4 2232 B10R1.30 CC1=C(NN)C=C(Cl)C=C1 C46308 [0,2,0,0,0,0|2,0,0]=4 2233 B10R1.30 CC1=CC(C#N)=C(Br)C=C1 B47946 [0,2,0,0,0,0|1,0,1]=4 2234 B10R1.30 CC1=CC(C#N)=C(Cl)C=C1 C47961 [0,2,0,0,0,0|1,0,1]=4 2235 B10R1.30 CC1=CC(C#N)=C(F)C=C1 F47973 [0,2,0,0,0,0|1,0,1]=4 2236 B10R1.30 CC1=CC(C#N)=C(N)C=C1 A48782 [0,2,0,0,0,0|1,0,1]=4 2237 B10R1.30 CC1=CC(C#N)=C(O)C=C1 H63627 [0,2,0,0,0,0|1,0,1]=4 2238 B10R1.30 CC1=CC(C=O)=C(Br)C=C1 B48712 [0,2,0,0,0,0|0,0,2]=4 2239 B10R1.30 CC1=CC(C=O)=C(C)C=C1 D38715 [0,2,0,0,0,0|0,0,2]=4 2240 B10R1.30 CC1=CC(C=O)=C(Cl)C=C1 C48727 [0,2,0,0,0,0|0,0,2]=4 2241 B10R1.30 CC1=CC(C=O)=C(F)C=C1 F48738 [0,2,0,0,0,0|0,0,2]=4 2242 B10R1.30 CC1=CC(C=O)=C(O)C=C1 H49070 [0,2,0,0,0,0|0,0,2]=4 2243 B10R1.30 CC1=CC(CO)=C(Br)C=C1 B63209 [0,2,0,0,0,0|0,0,0]=2 2244 B10R1.30 CC1=CC(CO)=C(Br)C=N1 B46177 [0,2,0,0,0,0|1,0,0]=3 2245 B10R1.30 CC1=CC(NN)=C(C)C=C1 D49535 [0,2,0,0,0,0|2,0,0]=4 2246 B10R1.30 CC1=CC(NN)=C(Cl)C=C1 C46307 [0,2,0,0,0,0|2,0,0]=4 2247 B10R1.30 CC1=CC=C(N)C(CO)=N1 A13503 [0,2,0,0,0,0|1,0,0]=3 2248 B10R1.30 CC1=CC=C(O)C(CCl)=N1 C65989 [0,2,0,0,0,0|2,0,0]=4 2249 B10R1.30 CC1=NC(CO)=C(Br)C=C1 B63914 [0,2,0,0,0,0|1,0,0]=3 2250 B10R1.30 CC1=NC(CO)=C(O)C=C1 H46408 [0,2,0,0,0,0|1,0,0]=3 2251 B10R1.30 CCC1=C(Br)C=CC(O)=C1 B49425 [0,2,0,0,0,0|1,0,0]=3 2252 B10R1.30 CCC1=C(F)C=CC(Br)=C1 B48764 [0,2,0,0,0,0|1,0,0]=3 2253 B10R1.30 CCC1=C(N)C=CC(Br)=C1 B66403 [0,2,0,0,0,0|1,0,0]=3 2254 B10R1.30 CCC1=C(N)C=CC(Cl)=C1 C46752 [0,2,0,0,0,0|1,0,0]=3 2255 B10R1.30 CCN1C=C(Br)C=CC1=O B46165 [0,2,0,0,0,0|2,0,0]=4 2256 B10R1.30 CNC1=C(C)C=CC(O)=C1 M46910 [0,2,0,0,0,0|2,0,0]=4 2257 B10R1.30 CNC1=C(N)C=CC(Br)=C1 B46288 [0,2,0,0,0,0|2,0,0]=4 2258 B10R1.30 CNC1=C(N)C=CC(C)=C1 D46972 [0,2,0,0,0,0|2,0,0]=4 2259 B10R1.30 CNC1=C(N)C=CC(Cl)=C1 C46304 [0,2,0,0,0,0|2,0,0]=4 2260 B10R1.30 COC1=C(Br)C=CC(Br)=C1 D45542 [0,2,0,0,0,0|2,0,0]=4 2261 B10R1.30 COC1=C(Br)C=CC(C)=C1 B49434 [0,2,0,0,0,0|2,0,0]=4 2262 B10R1.30 COC1=C(Br)C=CC(Cl)=C1 B45562 [0,2,0,0,0,0|2,0,0]=4 2263 B10R1.30 COC1=C(Br)C=CC(F)=C1 B45575 [0,2,0,0,0,0|2,0,0]=4 2264 B10R1.30 COC1=C(Br)C=CC(I)=C1 B45582 [0,2,0,0,0,0|2,0,0]=4 2265 B10R1.30 COC1=C(Br)C=CC(N)=C1 B46156 [0,2,0,0,0,0|2,0,0]=4 2266 B10R1.30 COC1=C(Br)C=CC(O)=C1 B45901 [0,2,0,0,0,0|2,0,0]=4 2267 B10R1.30 COC1=C(C)C=CC(Br)=C1 B49441 [0,2,0,0,0,0|2,0,0]=4 2268 B10R1.30 COC1=C(C)C=CC(C)=C1 M50278 [0,2,0,0,0,0|2,0,0]=4 2269 B10R1.30 COC1=C(C)C=CC(N)=C1 M46899 [0,2,0,0,0,0|2,0,0]=4 2270 B10R1.30 COC1=C(Cl)C=CC(Br)=C1 B45554 [0,2,0,0,0,0|2,0,0]=4 2271 B10R1.30 COC1=C(Cl)C=CC(Cl)=C1 D45591 [0,2,0,0,0,0|2,0,0]=4 2272 B10R1.30 COC1=C(Cl)C=CC(F)=C1 C45592 [0,2,0,0,0,0|2,0,0]=4 2273 B10R1.30 COC1=C(Cl)C=CC(I)=C1 C45601 [0,2,0,0,0,0|2,0,0]=4 2274 B10R1.30 COC1=C(Cl)C=CC(N)=C1 C46190 [0,2,0,0,0,0|2,0,0]=4 2275 B10R1.30 COC1=C(Cl)C=CC(O)=C1 C45912 [0,2,0,0,0,0|2,0,0]=4 2276 B10R1.30 COC1=C(F)C=CC(Br)=C1 B45577 [0,2,0,0,0,0|2,0,0]=4 2277 B10R1.30 COC1=C(F)C=CC(I)=C1 F63969 [0,2,0,0,0,0|2,0,0]=4 2278 B10R1.30 COC1=C(F)C=CC(N)=C1 F46210 [0,2,0,0,0,0|2,0,0]=4 2279 B10R1.30 COC1=C(F)C=CC(O)=C1 F45918 [0,2,0,0,0,0|2,0,0]=4 2280 B10R1.30 COC1=C(I)C=CC(Br)=C1 B38625 [0,2,0,0,0,0|2,0,0]=4 2281 B10R1.30 COC1=C(I)C=CC(Cl)=C1 C45603 [0,2,0,0,0,0|2,0,0]=4 2282 B10R1.30 COC1=C(I)C=CC(N)=C1 K46230 [0,2,0,0,0,0|2,0,0]=4 2283 B10R1.30 COC1=C(N)C=CC(Br)=C1 B37849 [0,2,0,0,0,0|2,0,0]=4 2284 B10R1.30 COC1=C(N)C=CC(C)=C1 M69494 [0,2,0,0,0,0|2,0,0]=4 2285 B10R1.30 COC1=C(N)C=CC(Cl)=C1 C46189 [0,2,0,0,0,0|2,0,0]=4 2286 B10R1.30 COC1=C(N)C=CC(Cl)=C1 C46203 [0,2,0,0,0,0|2,0,0]=4 2287 B10R1.30 COC1=C(N)C=CC(F)=C1 F46209 [0,2,0,0,0,0|2,0,0]=4 2288 B10R1.30 COC1=C(N)C=CC(N)=C1 M43596 [0,2,0,0,0,0|2,0,0]=4 2289 B10R1.30 COC1=C(O)C=CC(Br)=C1 B1785 [0,2,0,0,0,0|2,0,0]=4 2290 B10R1.30 COC1=C(O)C=CC(C)=C1 M69495 [0,2,0,0,0,0|2,0,0]=4 2291 B10R1.30 COC1=C(O)C=CC(Cl)=C1 C63275 [0,2,0,0,0,0|2,0,0]=4 2292 B10R1.30 COC1=C(O)C=CC(F)=C1 F23730 [0,2,0,0,0,0|2,0,0]=4 2293 B10R1.30 COC1=C(O)C=CC(N)=C1 A46396 [0,2,0,0,0,0|2,0,0]=4 2294 B10R1.30 COC1=C([Mg+])C=CC(Cl)=C1 C31792 [0,2,0,0,0,0|2,0,0]=4 2295 B10R1.30 CSC1=C(N)C=CC(Br)=C1 B69348 [0,2,0,0,0,0|2,0,0]=4 2296 B10R1.30 ClC1=CC(CBr)=C(Br)C=C1 B44690 [0,2,0,0,0,0|1,0,0]=3 2297 B10R1.30 ClC1=CC(CBr)=C(Cl)C=C1 B44708 [0,2,0,0,0,0|1,0,0]=3 2298 B10R1.30 ClCC1=C(Cl)C=CC(Br)=C1 B44711 [0,2,0,0,0,0|1,0,0]=3 2299 B10R1.30 ClCC1=CC(Cl)=CN=C1Br B42200 [0,2,0,0,0,0|2,0,0]=4 2300 B10R1.30 FC1=C(CBr)C=C(Br)C=C1 B44693 [0,2,0,0,0,0|1,0,0]=3 2301 B10R1.30 N#CC1=C(Br)C=CC(Br)=C1 D44088 [0,2,0,0,0,0|1,0,1]=4 2302 B10R1.30 N#CC1=C(Br)C=CC(Cl)=C1 B44091 [0,2,0,0,0,0|1,0,1]=4 2303 B10R1.30 N#CC1=C(Br)C=CC(F)=C1 B44105 [0,2,0,0,0,0|1,0,1]=4 2304 B10R1.30 N#CC1=C(Br)C=CC(I)=C1 B37184 [0,2,0,0,0,0|1,0,1]=4 2305 B10R1.30 N#CC1=C(Br)C=CC(N)=C1 A44742 [0,2,0,0,0,0|1,0,1]=4 2306 B10R1.30 N#CC1=C(Br)C=CC(O)=C1 B44521 [0,2,0,0,0,0|1,0,1]=4 2307 B10R1.30 N#CC1=C(Cl)C=CC(Br)=C1 B44097 [0,2,0,0,0,0|1,0,1]=4 2308 B10R1.30 N#CC1=C(Cl)C=CC(F)=C1 C44121 [0,2,0,0,0,0|1,0,1]=4 2309 B10R1.30 N#CC1=C(Cl)C=CC(N)=C1 A38239 [0,2,0,0,0,0|1,0,1]=4 2310 B10R1.30 N#CC1=C(Cl)C=CC(O)=C1 C44533 [0,2,0,0,0,0|1,0,1]=4 2311 B10R1.30 N#CC1=C(F)C=CC(Br)=C1 B44111 [0,2,0,0,0,0|1,0,1]=4 2312 B10R1.30 N#CC1=C(F)C=CC(Cl)=C1 C44126 [0,2,0,0,0,0|1,0,1]=4 2313 B10R1.30 N#CC1=C(F)C=CC(F)=C1 D44132 [0,2,0,0,0,0|1,0,1]=4 2314 B10R1.30 N#CC1=C(F)C=CC(I)=C1 F68267 [0,2,0,0,0,0|1,0,1]=4 2315 B10R1.30 N#CC1=C(F)C=CC(N)=C1 A44796 [0,2,0,0,0,0|1,0,1]=4 2316 B10R1.30 N#CC1=C(F)C=CC(O)=C1 F37608 [0,2,0,0,0,0|1,0,1]=4 2317 B10R1.30 N#CC1=C(I)C=CC(I)=C1 D63461 [0,2,0,0,0,0|1,0,1]=4 2318 B10R1.30 N#CC1=C(N)C=CC(Br)=C1 A39351 [0,2,0,0,0,0|1,0,1]=4 2319 B10R1.30 N#CC1=C(N)C=CC(Cl)=C1 A69221 [0,2,0,0,0,0|1,0,1]=4 2320 B10R1.30 N#CC1=C(N)C=CC(F)=C1 A44793 [0,2,0,0,0,0|1,0,1]=4 2321 B10R1.30 N#CC1=C(N)C=CC(N)=C1 D45722 [0,2,0,0,0,0|1,0,1]=4 2322 B10R1.30 N#CC1=C(N)C=CC(O)=C1 A45220 [0,2,0,0,0,0|1,0,1]=4 2323 B10R1.30 N#CC1=C(O)C=CC(Br)=C1 B67895 [0,2,0,0,0,0|1,0,1]=4 2324 B10R1.30 N#CC1=C(O)C=CC(Cl)=C1 C44536 [0,2,0,0,0,0|1,0,1]=4 2325 B10R1.30 N#CC1=C(O)C=CC(F)=C1 F44550 [0,2,0,0,0,0|1,0,1]=4 2326 B10R1.30 N#CC1=C(O)C=CC(N)=C1 A45221 [0,2,0,0,0,0|1,0,1]=4 2327 B10R1.30 NC1=C(C=O)C=C(Br)C=C1 A10804 [0,2,0,0,0,0|0,0,2]=4 2328 B10R1.30 NC1=C(C=O)C=C(Cl)C=C1 A45481 [0,2,0,0,0,0|0,0,2]=4 2329 B10R1.30 NC1=C(CO)C=C(Br)C=C1 A10854 [0,2,0,0,0,0|0,0,0]=2 2330 B10R1.30 NC1=C(CO)C=C(Cl)C=C1 A46196 [0,2,0,0,0,0|0,0,0]=2 2331 B10R1.30 NC1=C(CO)C=C(F)C=C1 A46215 [0,2,0,0,0,0|0,0,0]=2 2332 B10R1.30 NC1=C(CO)N=C(Br)C=N1 A37107 [0,2,0,0,0,0|2,0,0]=4 2333 B10R1.30 NC1=CC(CO)=C(F)C=C1 A46219 [0,2,0,0,0,0|0,0,0]=2 2334 B10R1.30 NC1=NC=C(Br)C=C1CO A43065 [0,2,0,0,0,0|1,0,0]=3 2335 B10R1.30 NC1=NC=C(I)C=C1CO A68723 [0,2,0,0,0,0|1,0,0]=3 2336 B10R1.30 NCC1=C(Br)C=CC(Cl)=N1 B42733 [0,2,0,0,0,0|2,0,0]=4 2337 B10R1.30 NCC1=C(Cl)C=CC(Cl)=C1 D45793 [0,2,0,0,0,0|1,0,0]=3 2338 B10R1.30 NCC1=C(F)C=CC(Br)=C1 B61206 [0,2,0,0,0,0|1,0,0]=3 2339 B10R1.30 NCC1=C(F)C=CC(Cl)=C1 C38176 [0,2,0,0,0,0|1,0,0]=3 2340 B10R1.30 NCC1=C(F)C=CC(F)=C1 D45811 [0,2,0,0,0,0|1,0,0]=3 2341 B10R1.30 NCC1=C(N)C=CC(Br)=C1 A46294 [0,2,0,0,0,0|1,0,0]=3 2342 B10R1.30 NCC1=C(N)C=CC(Cl)=C1 A46298 [0,2,0,0,0,0|1,0,0]=3 2343 B10R1.30 NCC1=C(O)C=CC(Br)=C1 A46182 [0,2,0,0,0,0|1,0,0]=3 2344 B10R1.30 NCC1=CC(Br)=CN=C1F A12901 [0,2,0,0,0,0|2,0,0]=4 2345 B10R1.30 NNC1=C(Br)C=CC(Br)=C1 D42724 [0,2,0,0,0,0|2,0,0]=4 2346 B10R1.30 NNC1=C(Br)C=CC(F)=C1 B42737 [0,2,0,0,0,0|2,0,0]=4 2347 B10R1.30 NNC1=C(Cl)C=CC(Cl)=C1 D42757 [0,2,0,0,0,0|2,0,0]=4 2348 B10R1.30 NNC1=C(Cl)C=CC(F)=C1 C42761 [0,2,0,0,0,0|2,0,0]=4 2349 B10R1.30 NNC1=C(F)C=CC(Br)=C1 B42740 [0,2,0,0,0,0|2,0,0]=4 2350 B10R1.30 NNC1=C(F)C=CC(F)=C1 D43515 [0,2,0,0,0,0|2,0,0]=4 2351 B10R1.30 O=CC1=C(Br)C=CC(Br)=C1 D44633 [0,2,0,0,0,0|0,0,2]=4 2352 B10R1.30 O=CC1=C(Br)C=CC(Cl)=C1 B37820 [0,2,0,0,0,0|0,0,2]=4 2353 B10R1.30 O=CC1=C(Br)C=CC(I)=C1 B44658 [0,2,0,0,0,0|0,0,2]=4 2354 B10R1.30 O=CC1=C(Br)C=CC(O)=C1 B45082 [0,2,0,0,0,0|0,0,2]=4 2355 B10R1.30 O=CC1=C(Cl)C=CC(Br)=C1 B44642 [0,2,0,0,0,0|0,0,2]=4 2356 B10R1.30 O=CC1=C(Cl)C=CC(Cl)=C1 D39344 [0,2,0,0,0,0|0,0,2]=4 2357 B10R1.30 O=CC1=C(Cl)C=CC(F)=C1 C44663 [0,2,0,0,0,0|0,0,2]=4 2358 B10R1.30 O=CC1=C(Cl)C=CC(O)=C1 C45090 [0,2,0,0,0,0|0,0,2]=4 2359 B10R1.30 O=CC1=C(F)C=CC(Br)=C1 F66905 [0,2,0,0,0,0|0,0,2]=4 2360 B10R1.30 O=CC1=C(F)C=CC(Cl)=C1 C5663 [0,2,0,0,0,0|0,0,2]=4 2361 B10R1.30 O=CC1=C(F)C=CC(F)=C1 D44676 [0,2,0,0,0,0|0,0,2]=4 2362 B10R1.30 O=CC1=C(F)C=CC(O)=C1 F45099 [0,2,0,0,0,0|0,0,2]=4 2363 B10R1.30 O=CC1=C(I)C=CC(Br)=C1 B28649 [0,2,0,0,0,0|0,0,2]=4 2364 B10R1.30 O=CC1=C(O)C=CC(Cl)=C1 C67854 [0,2,0,0,0,0|0,0,2]=4 2365 B10R1.30 O=CC1=C(O)C=CC(F)=C1 F67833 [0,2,0,0,0,0|0,0,2]=4 2366 B10R1.30 O=CC1=C(O)C=CC(I)=C1 H45105 [0,2,0,0,0,0|0,0,2]=4 2367 B10R1.30 O=CC1=C(O)C=CC(O)=C1 D60796 [0,2,0,0,0,0|0,0,2]=4 2368 B10R1.30 OCC1=C(Br)C=CC(Br)=C1 D45545 [0,2,0,0,0,0|0,0,0]=2 2369 B10R1.30 OCC1=C(Br)C=CC(Cl)=C1 B45558 [0,2,0,0,0,0|0,0,0]=2 2370 B10R1.30 OCC1=C(Br)C=CC(F)=C1 B45568 [0,2,0,0,0,0|0,0,0]=2 2371 B10R1.30 OCC1=C(Br)C=CC(I)=C1 B45579 [0,2,0,0,0,0|0,0,0]=2 2372 B10R1.30 OCC1=C(Cl)C=CC(Br)=C1 B45559 [0,2,0,0,0,0|0,0,0]=2 2373 B10R1.30 OCC1=C(Cl)C=CC(Cl)=C1 D45589 [0,2,0,0,0,0|0,0,0]=2 2374 B10R1.30 OCC1=C(Cl)C=CC(F)=C1 C45595 [0,2,0,0,0,0|0,0,0]=2 2375 B10R1.30 OCC1=C(Cl)C=CC(O)=C1 C45913 [0,2,0,0,0,0|0,0,0]=2 2376 B10R1.30 OCC1=C(F)C=CC(Br)=C1 B45571 [0,2,0,0,0,0|0,0,0]=2 2377 B10R1.30 OCC1=C(F)C=CC(Cl)=N1 C42671 [0,2,0,0,0,0|1,0,0]=3 2378 B10R1.30 OCC1=C(I)C=CC(Br)=C1 B45580 [0,2,0,0,0,0|0,0,0]=2 2379 B10R1.30 OCC1=C(O)C=CC(Br)=C1 B68796 [0,2,0,0,0,0|0,0,0]=2 2380 B10R1.30 OCC1=CC(Br)=CN=C1Cl B12727 [0,2,0,0,0,0|1,0,0]=3 2381 B10R1.30 OCC1=CC(Br)=CN=C1F B12899 [0,2,0,0,0,0|1,0,0]=3 2382 B10R1.30 OCC1=CC(Cl)=CN=C1Br B42649 [0,2,0,0,0,0|1,0,0]=3 2383 B10R1.30 OCC1=CC(Cl)=NC=C1F C42670 [0,2,0,0,0,0|1,0,0]=3 2384 B10R1.113 CC(=O)C1=CC(C)=CC=C1 T39528 [0,2,0,0,0,0|0,0,2]=4 2385 B10R1.113 CC(=O)C1=CC(N)=CC=C1 A68568 [0,2,0,0,0,0|0,0,2]=4 2386 B10R1.113 CC(=O)C1=CC(O)=CC=C1 H60763 [0,2,0,0,0,0|0,0,2]=4 2387 B10R1.113 CC(=O)C1=CC=CC(Cl)=C1 C69069 [0,2,0,0,0,0|0,0,2]=4 2388 B10R1.113 CC(=O)C1=CC=CC(F)=C1 F48736 [0,2,0,0,0,0|0,0,2]=4 2389 B10R1.113 CC(=O)C1=CC=CC(I)=C1 I37889 [0,2,0,0,0,0|0,0,2]=4 2390 B10R1.113 CC(C)C1=CC(Br)=CN=C1 B32128 [0,2,0,0,0,0|2,0,0]=4 2391 B10R1.113 CC(C)C1=CC(Br)=NC=C1 B46727 [0,2,0,0,0,0|2,0,0]=4 2392 B10R1.113 CC(C)C1=CC=CC(Br)=C1 B49962 [0,2,0,0,0,0|1,0,0]=3 2393 B10R1.113 CC(C)C1=CC=CC(Br)=N1 B46729 [0,2,0,0,0,0|2,0,0]=4 2394 B10R1.113 CC(C)C1=CC=CC(Cl)=N1 C37539 [0,2,0,0,0,0|2,0,0]=4 2395 B10R1.113 CC(C)C1=CC=CC(N)=C1 P50307 [0,2,0,0,0,0|1,0,0]=3 2396 B10R1.113 CC(C)C1=CC=CC([Mg+])=C1 P31758 [0,2,0,0,0,0|1,0,0]=3 2397 B10R1.113 CC(C)C1=CN=CC(N)=C1 I32297 [0,2,0,0,0,0|2,0,0]=4 2398 B10R1.113 CC(C)C1=NC=CC(Br)=C1 B63808 [0,2,0,0,0,0|2,0,0]=4 2399 B10R1.113 CC(C)C1=NC=CC(Cl)=C1 C39059 [0,2,0,0,0,0|2,0,0]=4 2400 B10R1.113 CC1=CC(B(O)O)=CN=C1 M5113 [0,2,0,0,0,0|2,0,0]=4 2401 B10R1.113 CC1=CC(C(=O)O)=CN=C1 M10515 [0,2,0,0,0,0|1,0,1]=4 2402 B10R1.113 CC1=CC(C(=O)O)=NC=C1 M38719 [0,2,0,0,0,0|1,0,1]=4 2403 B10R1.113 CC1=CC=CC(B(O)O)=C1 T5210 [0,2,0,0,0,0|1,0,0]=3 2404 B10R1.113 CC1=CC=CC(C(=N)N)=C1 M49488 [0,2,0,0,0,0|1,0,1]=4 2405 B10R1.113 CC1=CC=CC(C(=O)O)=N1 M45823 [0,2,0,0,0,0|1,0,1]=4 2406 B10R1.113 CC1=CC=CC(N(C)C)=C1 T39548 [0,2,0,0,0,0|2,0,0]=4 2407 B10R1.113 CC1=CC=CC([C@@H](C)N)=C1 T50311 [0,2,0,0,0,0|1,0,0]=3 2408 B10R1.113 CC1=CC=CC([C@@H](C)N)=C1 T52159 [0,2,0,0,0,0|1,0,0]=3 2409 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 T50309 [0,2,0,0,0,0|1,0,0]=3 2410 B10R1.113 CC1=NC=CC(B(O)O)=C1 M24370 [0,2,0,0,0,0|2,0,0]=4 2411 B10R1.113 CC1=NC=CC(B(O)O)=C1 M43543 [0,2,0,0,0,0|2,0,0]=4 2412 B10R1.113 CC1=NC=CC(C(=O)O)=C1 M15805 [0,2,0,0,0,0|1,0,1]=4 2413 B10R1.113 CN(C)C1=CC(N)=CC=C1 D49538 [0,2,0,0,0,0|2,0,0]=4 2414 B10R1.113 CN(C)C1=CC(N)=CC=C1 D49665 [0,2,0,0,0,0|2,0,0]=4 2415 B10R1.113 CN(C)C1=CC=CC(Br)=C1 B68052 [0,2,0,0,0,0|2,0,0]=4 2416 B10R1.113 CN(C)C1=CC=CC(F)=C1 F46763 [0,2,0,0,0,0|2,0,0]=4 2417 B10R1.113 CN(C)C1=CC=CC([Mg+])=C1 D31761 [0,2,0,0,0,0|2,0,0]=4 2418 B10R1.113 C[C@@H](N)C1=CC(Br)=NC=C1 B46295 [0,2,0,0,0,0|2,0,0]=4 2419 B10R1.113 C[C@@H](N)C1=CC=CC(Br)=C1 B46734 [0,2,0,0,0,0|1,0,0]=3 2420 B10R1.113 C[C@@H](N)C1=CC=CC(Br)=N1 B46291 [0,2,0,0,0,0|2,0,0]=4 2421 B10R1.113 C[C@@H](N)C1=CC=CC(F)=C1 F46765 [0,2,0,0,0,0|1,0,0]=3 2422 B10R1.113 C[C@@H](N)C1=CC=CC(F)=C1 F49508 [0,2,0,0,0,0|1,0,0]=3 2423 B10R1.113 C[C@@H](N)C1=CC=CC(F)=N1 F46611 [0,2,0,0,0,0|2,0,0]=4 2424 B10R1.113 C[C@@H](N)C1=CC=CC(O)=C1 A49524 [0,2,0,0,0,0|1,0,0]=3 2425 B10R1.113 C[C@@H](O)C1=CC=CC(Cl)=C1 C49447 [0,2,0,0,0,0|0,0,0]=2 2426 B10R1.113 C[C@H](N)C1=CC(Cl)=NC=C1 C13483 [0,2,0,0,0,0|2,0,0]=4 2427 B10R1.113 C[C@H](N)C1=CC(F)=CN=C1 F46567 [0,2,0,0,0,0|2,0,0]=4 2428 B10R1.113 C[C@H](N)C1=CC=CC(Br)=C1 B46739 [0,2,0,0,0,0|1,0,0]=3 2429 B10R1.113 C[C@H](N)C1=CC=CC(Br)=C1 B46743 [0,2,0,0,0,0|1,0,0]=3 2430 B10R1.113 C[C@H](N)C1=CC=CC(Br)=C1 B64158 [0,2,0,0,0,0|1,0,0]=3 2431 B10R1.113 C[C@H](N)C1=CC=CC(Cl)=N1 C46299 [0,2,0,0,0,0|2,0,0]=4 2432 B10R1.113 C[C@H](N)C1=CC=CC(F)=C1 F46761 [0,2,0,0,0,0|1,0,0]=3 2433 B10R1.113 C[C@H](N)C1=CC=CC(F)=C1 F49511 [0,2,0,0,0,0|1,0,0]=3 2434 B10R1.113 C[C@H](N)C1=CC=CC(F)=N1 F46568 [0,2,0,0,0,0|2,0,0]=4 2435 B10R1.113 C[C@H](N)C1=CC=CC(N)=C1 A46961 [0,2,0,0,0,0|1,0,0]=3 2436 B10R1.113 C[C@H](N)C1=CC=CC(O)=C1 A64155 [0,2,0,0,0,0|1,0,0]=3 2437 B10R1.113 C[C@H](N)C1=CC=CC(O)=C1 A64991 [0,2,0,0,0,0|1,0,0]=3 2438 B10R1.113 C[C@H](O)C1=CC(N)=CC=C1 A46893 [0,2,0,0,0,0|0,0,0]=2 2439 B10R1.113 C[C@H](O)C1=CC=CC(Br)=C1 B49430 [0,2,0,0,0,0|0,0,0]=2 2440 B10R1.113 C[C@H](O)C1=CC=CC(Br)=N1 B37443 [0,2,0,0,0,0|1,0,0]=3 2441 B10R1.113 C[C@H](O)C1=NC=CC(Cl)=C1 C46192 [0,2,0,0,0,0|1,0,0]=3 2442 B10R1.113 FC(F)C1=CC(Cl)=NC=C1 C42238 [0,2,0,0,0,0|2,0,0]=4 2443 B10R1.113 FC(F)C1=CC=CC(Br)=C1 B44723 [0,2,0,0,0,0|1,0,0]=3 2444 B10R1.113 FC(F)C1=CC=CC(Br)=N1 B38710 [0,2,0,0,0,0|2,0,0]=4 2445 B10R1.113 FC(F)C1=NC=CC(Br)=C1 B42219 [0,2,0,0,0,0|2,0,0]=4 2446 B10R1.113 N=C(N)C1=CC=CC(Br)=C1 B45618 [0,2,0,0,0,0|1,0,1]=4 2447 B10R1.113 N=C(N)C1=CC=CC(Cl)=C1 C69433 [0,2,0,0,0,0|1,0,1]=4 2448 B10R1.113 N=C(N)C1=CC=CC(F)=C1 F46533 [0,2,0,0,0,0|1,0,1]=4 2449 B10R1.113 NC(=O)C1=CC(O)=CC=C1 H45813 [0,2,0,0,0,0|0,0,2]=4 2450 B10R1.113 NC(=O)C1=CC=CC(Br)=C1 B45466 [0,2,0,0,0,0|0,0,2]=4 2451 B10R1.113 NC(=O)C1=CC=CC(F)=C1 F45492 [0,2,0,0,0,0|0,0,2]=4 2452 B10R1.113 NC1=CC(B(O)O)=CN=C1 A62316 [0,2,0,0,0,0|2,0,0]=4 2453 B10R1.113 NC1=CC(C(=O)O)=CN=C1 A4566 [0,2,0,0,0,0|1,0,1]=4 2454 B10R1.113 NC1=CC(C(=O)O)=NC=C1 A10317 [0,2,0,0,0,0|1,0,1]=4 2455 B10R1.113 NC1=CC(C(F)F)=NC=C1 D43518 [0,2,0,0,0,0|2,0,0]=4 2456 B10R1.113 NC1=CC(C(F)F)=NC=C1 D63827 [0,2,0,0,0,0|2,0,0]=4 2457 B10R1.113 NC1=CC=CC(B(O)O)=C1 A1370 [0,2,0,0,0,0|1,0,0]=3 2458 B10R1.113 NC1=CC=CC(B(O)O)=C1 A2231 [0,2,0,0,0,0|1,0,0]=3 2459 B10R1.113 NC1=CC=CC(B(O)O)=C1 A31607 [0,2,0,0,0,0|1,0,0]=3 2460 B10R1.113 NC1=CC=CC(B(O)O)=C1 A56559 [0,2,0,0,0,0|1,0,0]=3 2461 B10R1.113 NC1=CC=CC(C(=O)O)=C1 A69286 [0,2,0,0,0,0|0,0,1]=3 2462 B10R1.113 NC1=CC=CC(C(=O)O)=N1 A4798 [0,2,0,0,0,0|1,0,1]=4 2463 B10R1.113 NC1=CC=CC(C(F)F)=N1 D42769 [0,2,0,0,0,0|2,0,0]=4 2464 B10R1.113 NC1=CC=CC([N+](=O)[O-])=C1 N43520 [0,2,0,0,0,0|1,0,1]=4 2465 B10R1.113 NC1=NC=CC(B(O)O)=C1 A38700 [0,2,0,0,0,0|2,0,0]=4 2466 B10R1.113 NC1=NC=CC(C(=O)O)=C1 A3938 [0,2,0,0,0,0|1,0,1]=4 2467 B10R1.113 NC1=NC=CC(C(F)F)=C1 D18818 [0,2,0,0,0,0|2,0,0]=4 2468 B10R1.113 O=C(Cl)C1=CC=CC(Cl)=C1 C64820 [0,2,0,0,0,0|0,0,2]=4 2469 B10R1.113 O=C(O)C1=CC(Br)=CN=C1 B69308 [0,2,0,0,0,0|1,0,1]=4 2470 B10R1.113 O=C(O)C1=CC(Br)=NC=C1 B2422 [0,2,0,0,0,0|1,0,1]=4 2471 B10R1.113 O=C(O)C1=CC(Cl)=CN=C1 C10556 [0,2,0,0,0,0|1,0,1]=4 2472 B10R1.113 O=C(O)C1=CC(Cl)=NC=C1 C12400 [0,2,0,0,0,0|1,0,1]=4 2473 B10R1.113 O=C(O)C1=CC(F)=CN=C1 F12047 [0,2,0,0,0,0|1,0,1]=4 2474 B10R1.113 O=C(O)C1=CC(F)=NC=C1 F42254 [0,2,0,0,0,0|1,0,1]=4 2475 B10R1.113 O=C(O)C1=CC(O)=NC=C1 H3170 [0,2,0,0,0,0|1,0,1]=4 2476 B10R1.113 O=C(O)C1=CC(O)=NC=C1 H38104 [0,2,0,0,0,0|1,0,1]=4 2477 B10R1.113 O=C(O)C1=CC=CC(Br)=C1 B39364 [0,2,0,0,0,0|0,0,1]=3 2478 B10R1.113 O=C(O)C1=CC=CC(Br)=N1 B4508 [0,2,0,0,0,0|1,0,1]=4 2479 B10R1.113 O=C(O)C1=CC=CC(F)=C1 F68888 [0,2,0,0,0,0|0,0,1]=3 2480 B10R1.113 O=C(O)C1=CC=CC(F)=N1 F3784 [0,2,0,0,0,0|1,0,1]=4 2481 B10R1.113 O=C(O)C1=CC=CC(I)=C1 K68155 [0,2,0,0,0,0|0,0,1]=3 2482 B10R1.113 O=C(O)C1=CN=CC(O)=C1 H4735 [0,2,0,0,0,0|1,0,1]=4 2483 B10R1.113 O=C(O)C1=NC=CC(Br)=C1 B7920 [0,2,0,0,0,0|1,0,1]=4 2484 B10R1.113 O=C(O)C1=NC=CC(Cl)=C1 C24201 [0,2,0,0,0,0|1,0,1]=4 2485 B10R1.113 O=C(O)C1=NC=CC(F)=C1 F42252 [0,2,0,0,0,0|1,0,1]=4 2486 B10R1.113 O=C(O)C1=NC=CC(I)=C1 I3949 [0,2,0,0,0,0|1,0,1]=4 2487 B10R1.113 O=C(O)C1=NC=CC(O)=C1 H9415 [0,2,0,0,0,0|1,0,1]=4 2488 B10R1.113 O=[N+]([O-])C1=CC=CC(F)=C1 F42253 [0,2,0,0,0,0|1,0,1]=4 2489 B10R1.113 OB(O)C1=CC(Br)=CN=C1 B1954 [0,2,0,0,0,0|2,0,0]=4 2490 B10R1.113 OB(O)C1=CC(Br)=NC=C1 B40991 [0,2,0,0,0,0|2,0,0]=4 2491 B10R1.113 OB(O)C1=CC(Cl)=CN=C1 C3534 [0,2,0,0,0,0|2,0,0]=4 2492 B10R1.113 OB(O)C1=CC(Cl)=NC=C1 C2286 [0,2,0,0,0,0|2,0,0]=4 2493 B10R1.113 OB(O)C1=CC(F)=CN=C1 F25954 [0,2,0,0,0,0|2,0,0]=4 2494 B10R1.113 OB(O)C1=CC(F)=NC=C1 F2370 [0,2,0,0,0,0|2,0,0]=4 2495 B10R1.113 OB(O)C1=CC=CC(Br)=C1 B1920 [0,2,0,0,0,0|1,0,0]=3 2496 B10R1.113 OB(O)C1=CC=CC(Cl)=C1 C2260 [0,2,0,0,0,0|1,0,0]=3 2497 B10R1.113 OB(O)C1=CC=CC(F)=C1 F3360 [0,2,0,0,0,0|1,0,0]=3 2498 B10R1.113 OB(O)C1=CC=CC(F)=N1 F40993 [0,2,0,0,0,0|2,0,0]=4 2499 B10R1.113 OB(O)C1=CC=CC(I)=C1 K3840 [0,2,0,0,0,0|1,0,0]=3 2500 B10R1.113 OB(O)C1=CC=CC(O)=C1 H3740 [0,2,0,0,0,0|1,0,0]=3 2501 B10R1.172 BrCC1=CC=CC(CBr)=C1 B48751 [0,2,0,0,0,0|1,0,0]=3 2502 B10R1.172 C#CC1=CC=CC(C=O)=C1 E50961 [0,2,0,0,0,0|0,0,2]=4 2503 B10R1.172 C#CC1=CC=CC(CN)=C1 E39003 [0,2,0,0,0,0|1,0,0]=3 2504 B10R1.172 C#CC1=CC=CC(OC)=C1 E25312 [0,2,0,0,0,0|1,0,1]=4 2505 B10R1.172 CCC1=CC=CC(C#N)=C1 E38775 [0,2,0,0,0,0|1,0,0]=3 2506 B10R1.172 CCC1=CC=CC(C#N)=N1 E13406 [0,2,0,0,0,0|2,0,0]=4 2507 B10R1.172 CCC1=CC=CC(C=O)=C1 E49870 [0,2,0,0,0,0|1,0,0]=3 2508 B10R1.172 CCC1=CC=CC(C=O)=N1 E49258 [0,2,0,0,0,0|2,0,0]=4 2509 B10R1.172 CCC1=CC=CC(CC)=N1 D50308 [0,2,0,0,0,0|2,0,0]=4 2510 B10R1.172 CCC1=CC=CC(CO)=N1 E46907 [0,2,0,0,0,0|1,0,0]=3 2511 B10R1.172 CCC1=CC=CC(NC)=N1 E46969 [0,2,0,0,0,0|2,0,0]=4 2512 B10R1.172 CCC1=NC=CC(C#N)=C1 E48777 [0,2,0,0,0,0|2,0,0]=4 2513 B10R1.172 CNC1=CC=CC(C#N)=C1 M48778 [0,2,0,0,0,0|1,0,1]=4 2514 B10R1.172 CNC1=NC=CC(CO)=N1 M63073 [0,2,0,0,0,0|2,0,0]=4 2515 B10R1.172 COC1=CC(C#N)=CC=C1 M65442 [0,2,0,0,0,0|1,0,1]=4 2516 B10R1.172 COC1=CC(CCl)=NC=C1 C46205 [0,2,0,0,0,0|2,0,0]=4 2517 B10R1.172 COC1=CC(CN)=CC=C1 M27985 [0,2,0,0,0,0|1,0,0]=3 2518 B10R1.172 COC1=CC(CN)=NC=C1 M36712 [0,2,0,0,0,0|2,0,0]=4 2519 B10R1.172 COC1=CC(CN)=NC=C1 M46591 [0,2,0,0,0,0|2,0,0]=4 2520 B10R1.172 COC1=CC(CO)=CC=C1 M39430 [0,2,0,0,0,0|0,0,0]=2 2521 B10R1.172 COC1=CC(CO)=NC=C1 M38100 [0,2,0,0,0,0|1,0,0]=3 2522 B10R1.172 COC1=CC(NN)=CC=C1 M69005 [0,2,0,0,0,0|2,0,0]=4 2523 B10R1.172 COC1=CC=CC(C=O)=C1 M67838 [0,2,0,0,0,0|0,0,2]=4 2524 B10R1.172 COC1=CC=CC(CBr)=N1 B46166 [0,2,0,0,0,0|2,0,0]=4 2525 B10R1.172 COC1=CC=CC(CCl)=C1 C49452 [0,2,0,0,0,0|1,0,0]=3 2526 B10R1.172 COC1=CC=CC(CCl)=N1 C46206 [0,2,0,0,0,0|2,0,0]=4 2527 B10R1.172 COC1=CN=CC(CN)=C1 M11309 [0,2,0,0,0,0|2,0,0]=4 2528 B10R1.172 COC1=CN=CC(CO)=C1 M14136 [0,2,0,0,0,0|1,0,0]=3 2529 B10R1.172 COC1=NC(CN)=CC=C1 M46592 [0,2,0,0,0,0|2,0,0]=4 2530 B10R1.172 COC1=NC(CO)=CC=C1 M46402 [0,2,0,0,0,0|1,0,0]=3 2531 B10R1.172 COC1=NC(CO)=CC=N1 H11374 [0,2,0,0,0,0|2,0,0]=4 2532 B10R1.172 COC1=NC=CC(CN)=C1 M0578 [0,2,0,0,0,0|2,0,0]=4 2533 B10R1.172 COC1=NC=CC(CO)=C1 M0582 [0,2,0,0,0,0|1,0,0]=3 2534 B10R1.172 CSC1=NC(CO)=CC=N1 M32432 [0,2,0,0,0,0|2,0,0]=4 2535 B10R1.172 ClCC1=CC=CC(CCl)=C1 B48773 [0,2,0,0,0,0|1,0,0]=3 2536 B10R1.172 N#CC1=CC(CBr)=CN=C1 B44746 [0,2,0,0,0,0|2,0,0]=4 2537 B10R1.172 N#CC1=CC(CCl)=CN=C1 C32023 [0,2,0,0,0,0|2,0,0]=4 2538 B10R1.172 N#CC1=CC(CCl)=CN=C1 C38335 [0,2,0,0,0,0|2,0,0]=4 2539 B10R1.172 N#CC1=CC(CN)=CC=C1 A37624 [0,2,0,0,0,0|1,0,0]=3 2540 B10R1.172 N#CC1=CC(CO)=CN=C1 H37587 [0,2,0,0,0,0|1,0,0]=3 2541 B10R1.172 N#CC1=CC(NN)=CC=C1 C46543 [0,2,0,0,0,0|1,0,1]=4 2542 B10R1.172 N#CC1=CC=CC(C=O)=C1 C47711 [0,2,0,0,0,0|0,0,2]=4 2543 B10R1.172 N#CC1=CC=CC(CBr)=C1 B47943 [0,2,0,0,0,0|1,0,0]=3 2544 B10R1.172 N#CC1=CC=CC(CBr)=N1 B44749 [0,2,0,0,0,0|2,0,0]=4 2545 B10R1.172 N#CC1=CC=CC(CCl)=C1 C47958 [0,2,0,0,0,0|1,0,0]=3 2546 B10R1.172 N#CC1=CC=CC(CCl)=N1 C44781 [0,2,0,0,0,0|2,0,0]=4 2547 B10R1.172 N#CC1=CC=CC(CO)=C1 C48440 [0,2,0,0,0,0|0,0,0]=2 2548 B10R1.172 N#CC1=CC=CC(CO)=N1 H63393 [0,2,0,0,0,0|1,0,0]=3 2549 B10R1.172 N#CC1=CN=CC(CN)=C1 A32262 [0,2,0,0,0,0|2,0,0]=4 2550 B10R1.172 N#CC1=NC=CC(CCl)=C1 C44778 [0,2,0,0,0,0|2,0,0]=4 2551 B10R1.172 NCC1=CC=CC(CO)=C1 A46908 [0,2,0,0,0,0|0,0,0]=2 2552 B10R1.172 NCC1=CC=CC(CO)=N1 A46595 [0,2,0,0,0,0|1,0,0]=3 2553 B10R1.172 O=CC1=CC(CO)=CC=C1 H36764 [0,2,0,0,0,0|0,0,0]=2 2554 B10R1.172 O=CC1=CC=CC(CBr)=C1 B48710 [0,2,0,0,0,0|1,0,0]=3 2555 B10R1.172 O=CC1=CC=CC(CF)=N1 F45495 [0,2,0,0,0,0|2,0,0]=4 2556 B10R1.172 OCC1=CC=CC(CCl)=C1 C49450 [0,2,0,0,0,0|0,0,0]=2 2557 B10R1.15 C#C[C@@H](C)C1=CC=CC=C1 B64382 [0,2,0,0,0,0|1,0,0]=3 2558 B10R1.15 C#C[C@@H](O)C1=CC=CC=C1 P68581 [0,2,0,0,0,0|0,0,0]=2 2559 B10R1.15 C=C(CC)C1=CC=CC=C1 B52673 [0,2,0,0,0,0|1,0,0]=3 2560 B10R1.15 C=C[S@](=O)C1=CC=CC=C1 V62500 [0,2,0,0,0,0|1,0,1]=4 2561 B10R1.15 CCC(=O)C1=CN=CC=C1 P49262 [0,2,0,0,0,0|2,0,0]=4 2562 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 P39004 [0,2,0,0,0,0|1,0,0]=3 2563 B10R1.15 CC[C@@H](N)C1=NC=CC=C1 P49666 [0,2,0,0,0,0|2,0,0]=4 2564 B10R1.15 CC[C@H](N)C1=CC=CN=C1 P46964 [0,2,0,0,0,0|2,0,0]=4 2565 B10R1.15 CN[C@H](C)C1=CC=CC=C1 M50312 [0,2,0,0,0,0|1,0,0]=3 2566 B10R1.15 CN[C@H](C)C1=CC=CC=C1 M52164 [0,2,0,0,0,0|1,0,0]=3 2567 B10R1.15 COC(=O)C1=CC=NC=C1 M64933 [0,2,0,0,0,0|1,0,1]=4 2568 B10R1.15 COC(=O)C1=NC=CC=C1 M28469 [0,2,0,0,0,0|1,0,1]=4 2569 B10R1.15 CO[S@@](=O)C1=CC=CC=C1 M46243 [0,2,0,0,0,0|1,0,0]=3 2570 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 P37912 [0,2,0,0,0,0|1,0,0]=3 2571 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 P39584 [0,2,0,0,0,0|1,0,0]=3 2572 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 P60945 [0,2,0,0,0,0|1,0,0]=3 2573 B10R1.15 C[C@@H](NO)C1=CC=CC=C1 P10845 [0,2,0,0,0,0|0,0,0]=2 2574 B10R1.15 C\C(=N\O)C1=NC=CC=C1 M66365 [0,2,0,0,0,0|1,0,1]=4 2575 B10R1.15 F[C@@H](CBr)C1=CC=CC=C1 B48763 [0,2,0,0,0,0|1,0,0]=3 2576 B10R1.15 N=C(NO)C1=CC=NC=C1 H43094 [0,2,0,0,0,0|1,0,1]=4 2577 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 A67914 [0,2,0,0,0,0|0,0,0]=2 2578 B10R1.15 NC[C@@H](O)C1=CN=CC=C1 A46466 [0,2,0,0,0,0|1,0,0]=3 2579 B10R1.15 NC[C@H](N)C1=CC=CC=C1 P49663 [0,2,0,0,0,0|1,0,0]=3 2580 B10R1.15 NC[C@H](O)C1=NC=CC=C1 A46589 [0,2,0,0,0,0|1,0,0]=3 2581 B10R1.15 NNC(=O)C1=CC=CC=C1 B69029 [0,2,0,0,0,0|0,0,2]=4 2582 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 A67686 [0,2,0,0,0,0|0,0,0]=2 2583 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 P39434 [0,2,0,0,0,0|0,0,0]=2 2584 B10R1.15 N[C@H](CO)C1=CC=CC=C1 A37812 [0,2,0,0,0,0|0,0,0]=2 2585 B10R1.15 O=C(CBr)C1=CN=CC=C1 B68250 [0,2,0,0,0,0|2,0,0]=4 2586 B10R1.15 O=C(CBr)C1=NC=CC=C1 B45477 [0,2,0,0,0,0|2,0,0]=4 2587 B10R1.15 O=C(CCl)C1=CN=CC=C1 C45489 [0,2,0,0,0,0|2,0,0]=4 2588 B10R1.15 O=C(CO)C1=CC=CC=C1 H67472 [0,2,0,0,0,0|0,0,0]=2 2589 B10R1.15 O=CC(=O)C1=CC=CC=C1 P48113 [0,2,0,0,0,0|0,0,2]=4 2590 B10R1.15 OC[C@@H](O)C1=CC=CC=C1 P46829 [0,2,0,0,0,0|0,0,0]=2 2591 B10R1.15 OC[C@H](O)C1=CC=CC=C1 P46828 [0,2,0,0,0,0|0,0,0]=2 2592 B10R1.15 ON=C(Cl)C1=NC=CC=C1 H42458 [0,2,0,0,0,0|1,0,1]=4 2593 B10R1.15 O[C@@H](CCl)C1=CC=CC=C1 C49445 [0,2,0,0,0,0|0,0,0]=2 2594 B10R1.28 CC(C)(N)C1=CC=CC=C1 P32201 [0,2,0,0,0,0|1,0,0]=3 2595 B10R1.28 CC(C)(N)C1=NC=CC=C1 P32222 [0,2,0,0,0,0|2,0,0]=4 2596 B10R1.28 CC(C)(O)C1=CC=CC=C1 P24569 [0,2,0,0,0,0|0,0,0]=2 2597 B10R1.28 CC(C)(O)C1=CN=CC=C1 P46904 [0,2,0,0,0,0|1,0,0]=3 2598 B10R1.28 CC(C)(O)C1=NC=CC=C1 P38223 [0,2,0,0,0,0|1,0,0]=3 2599 B10R1.28 CS(=O)(=O)C1=CC=CC=C1 M39415 [0,2,0,0,0,0|1,0,1]=4 2600 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 T68550 [0,2,0,0,0,0|2,0,0]=4 2601 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 T69020 [0,2,0,0,0,0|2,0,0]=4 2602 B10R1.28 FC(F)(F)C1=CN=CC=C1 T28463 [0,2,0,0,0,0|2,0,0]=4 2603 B10R1.28 F[B-](F)(F)C1=CC=CC=C1 P67648 [0,2,0,0,0,0|2,0,0]=4 2604 B10R1.28 NS(=O)(=O)C1=CC=CC=C1 B69318 [0,2,0,0,0,0|1,0,1]=4 2605 B10R1.28 O=S(=O)(O)C1=CN=CC=C1 P41001 [0,2,0,0,0,0|2,0,0]=4 2606 B10R1.28 O=S(=O)(O)C1=NC=CC=C1 P41000 [0,2,0,0,0,0|2,0,0]=4 2607 B10R1.61 C=C(C)C1=C(N)C=CC=C1 P49976 [0,2,0,0,0,0|1,0,1]=4 2608 B10R1.61 CC(=O)C1=C(Br)C=CC=C1 B48708 [0,2,0,0,0,0|0,0,2]=4 2609 B10R1.61 CC(=O)C1=C(C)C=CC=C1 T39529 [0,2,0,0,0,0|0,0,2]=4 2610 B10R1.61 CC(=O)C1=C(Cl)C=CC=C1 C68333 [0,2,0,0,0,0|0,0,2]=4 2611 B10R1.61 CC(=O)C1=C(F)C=CC=C1 F69325 [0,2,0,0,0,0|0,0,2]=4 2612 B10R1.61 CC(=O)C1=C(I)C=CC=C1 K48750 [0,2,0,0,0,0|0,0,2]=4 2613 B10R1.61 CC(=O)C1=C(N)C=CC=C1 A49645 [0,2,0,0,0,0|0,0,2]=4 2614 B10R1.61 CC(C)C1=C(Br)C=CC=C1 B49961 [0,2,0,0,0,0|1,0,0]=3 2615 B10R1.61 CC(C)C1=C(I)C=CC=C1 K49972 [0,2,0,0,0,0|1,0,0]=3 2616 B10R1.61 CC(C)C1=C(N)C=CN=C1 P46960 [0,2,0,0,0,0|2,0,0]=4 2617 B10R1.61 CC(C)C1=C([Mg+])C=CC=C1 P31757 [0,2,0,0,0,0|1,0,0]=3 2618 B10R1.61 CC(C)C1=CC=CN=C1Br B32081 [0,2,0,0,0,0|2,0,0]=4 2619 B10R1.61 CC(C)C1=CC=CN=C1Cl C36678 [0,2,0,0,0,0|2,0,0]=4 2620 B10R1.61 CC(C)C1=NC=CC=C1N P46959 [0,2,0,0,0,0|2,0,0]=4 2621 B10R1.61 CC1=C(B(O)O)C=CC=C1 T5230 [0,2,0,0,0,0|1,0,0]=3 2622 B10R1.61 CC1=C(B(O)O)C=CC=N1 M43542 [0,2,0,0,0,0|2,0,0]=4 2623 B10R1.61 CC1=C(B(O)O)C=CN=C1 M12606 [0,2,0,0,0,0|2,0,0]=4 2624 B10R1.61 CC1=C(B(O)O)C=NC=C1 M3516 [0,2,0,0,0,0|2,0,0]=4 2625 B10R1.61 CC1=C(C(=N)N)C=CC=C1 M49487 [0,2,0,0,0,0|1,0,1]=4 2626 B10R1.61 CC1=C(C(=O)O)C=CC=C1 T69330 [0,2,0,0,0,0|0,0,1]=3 2627 B10R1.61 CC1=C(C(=O)O)C=CC=N1 M14576 [0,2,0,0,0,0|1,0,1]=4 2628 B10R1.61 CC1=C(C(=O)O)C=CC=N1 M45814 [0,2,0,0,0,0|1,0,1]=4 2629 B10R1.61 CC1=C(C(=O)O)C=CN=C1 M14013 [0,2,0,0,0,0|1,0,1]=4 2630 B10R1.61 CC1=C(C(=O)O)C=NC=C1 M4658 [0,2,0,0,0,0|1,0,1]=4 2631 B10R1.61 CC1=C(C(N)=S)C=CC=C1 M69080 [0,2,0,0,0,0|0,1,1]=4 2632 B10R1.61 CC1=C([C@@H](C)N)C=CC=C1 T52160 [0,2,0,0,0,0|1,0,0]=3 2633 B10R1.61 CC1=C([C@H](C)N)C=CC=C1 T52162 [0,2,0,0,0,0|1,0,0]=3 2634 B10R1.61 CC1=CC=CN=C1B(O)O M43294 [0,2,0,0,0,0|2,0,0]=4 2635 B10R1.61 CC1=CC=CN=C1C(=O)O M14577 [0,2,0,0,0,0|1,0,1]=4 2636 B10R1.61 CC1=CC=CN=C1C(=O)O M62138 [0,2,0,0,0,0|1,0,1]=4 2637 B10R1.61 CN(C)C1=C(Br)C=CC=C1 B46731 [0,2,0,0,0,0|2,0,0]=4 2638 B10R1.61 CN(C)C1=C(Cl)C=CC=C1 C46747 [0,2,0,0,0,0|2,0,0]=4 2639 B10R1.61 CN(C)C1=C(N)C=CC=C1 D68123 [0,2,0,0,0,0|2,0,0]=4 2640 B10R1.61 CN(C)C1=C(O)C=CC=C1 D23348 [0,2,0,0,0,0|2,0,0]=4 2641 B10R1.61 C[C@@H](N)C1=C(Br)C=CC=C1 B37416 [0,2,0,0,0,0|1,0,0]=3 2642 B10R1.61 C[C@@H](N)C1=C(Br)C=CC=C1 B46741 [0,2,0,0,0,0|1,0,0]=3 2643 B10R1.61 C[C@@H](N)C1=C(F)C=CC=C1 F46764 [0,2,0,0,0,0|1,0,0]=3 2644 B10R1.61 C[C@@H](N)C1=C(F)C=CC=C1 F49507 [0,2,0,0,0,0|1,0,0]=3 2645 B10R1.61 C[C@@H](O)C1=C(Br)C=CC=C1 B25268 [0,2,0,0,0,0|0,0,0]=2 2646 B10R1.61 C[C@@H](O)C1=C(Cl)C=CC=C1 C49446 [0,2,0,0,0,0|0,0,0]=2 2647 B10R1.61 C[C@@H](O)C1=C(F)C=CC=C1 F49460 [0,2,0,0,0,0|0,0,0]=2 2648 B10R1.61 C[C@H](Br)C1=C(F)C=CC=C1 B48765 [0,2,0,0,0,0|1,0,0]=3 2649 B10R1.61 C[C@H](N)C1=C(Br)C=CC=C1 B19470 [0,2,0,0,0,0|1,0,0]=3 2650 B10R1.61 C[C@H](N)C1=C(Br)C=CC=C1 B46723 [0,2,0,0,0,0|1,0,0]=3 2651 B10R1.61 C[C@H](N)C1=C(Br)C=CC=C1 B46742 [0,2,0,0,0,0|1,0,0]=3 2652 B10R1.61 C[C@H](N)C1=C(Cl)C=CC=C1 C46756 [0,2,0,0,0,0|1,0,0]=3 2653 B10R1.61 C[C@H](N)C1=C(F)C=CC=C1 F46760 [0,2,0,0,0,0|1,0,0]=3 2654 B10R1.61 C[C@H](N)C1=C(F)C=CC=C1 F49510 [0,2,0,0,0,0|1,0,0]=3 2655 B10R1.61 C[C@H](N)C1=C(F)C=CC=C1 F64880 [0,2,0,0,0,0|1,0,0]=3 2656 B10R1.61 C[C@H](O)C1=C(Br)C=CC=C1 B49429 [0,2,0,0,0,0|0,0,0]=2 2657 B10R1.61 C[C@H](O)C1=C(Br)C=CC=N1 B37274 [0,2,0,0,0,0|1,0,0]=3 2658 B10R1.61 C[C@H](O)C1=C(Cl)C=CC=C1 C49448 [0,2,0,0,0,0|0,0,0]=2 2659 B10R1.61 C[C@H](O)C1=C(Cl)C=CC=C1 C66089 [0,2,0,0,0,0|0,0,0]=2 2660 B10R1.61 C[C@H](O)C1=C(F)C=CC=C1 F49462 [0,2,0,0,0,0|0,0,0]=2 2661 B10R1.61 C[C@H](O)C1=C(F)C=NC=C1 F46213 [0,2,0,0,0,0|1,0,0]=3 2662 B10R1.61 C[C@H](O)C1=C(N)N=CC=C1 A65242 [0,2,0,0,0,0|1,0,0]=3 2663 B10R1.61 C[C@H](O)C1=CC=CN=C1Cl C46191 [0,2,0,0,0,0|1,0,0]=3 2664 B10R1.61 FC(F)C1=C(Br)C=CC=C1 B67317 [0,2,0,0,0,0|1,0,0]=3 2665 B10R1.61 FC(F)C1=C(Br)C=CC=N1 B42218 [0,2,0,0,0,0|2,0,0]=4 2666 B10R1.61 FC(F)C1=CC=CN=C1Br B42217 [0,2,0,0,0,0|2,0,0]=4 2667 B10R1.61 N=C(N)C1=C(F)C=CC=C1 F46532 [0,2,0,0,0,0|1,0,1]=4 2668 B10R1.61 NC(=O)C1=C(Br)C=CC=C1 B61279 [0,2,0,0,0,0|0,0,2]=4 2669 B10R1.61 NC(=O)C1=C(I)C=CC=C1 K45507 [0,2,0,0,0,0|0,0,2]=4 2670 B10R1.61 NC(=O)C1=C(N)C=CC=C1 A64967 [0,2,0,0,0,0|0,0,2]=4 2671 B10R1.61 NC1=C(B(O)O)C=CC=C1 A1340 [0,2,0,0,0,0|1,0,0]=3 2672 B10R1.61 NC1=C(C(=O)O)C=CC=N1 A12487 [0,2,0,0,0,0|1,0,1]=4 2673 B10R1.61 NC1=C(C(=O)O)C=CN=C1 A1102 [0,2,0,0,0,0|1,0,1]=4 2674 B10R1.61 NC1=C(C(=O)O)C=NC=C1 A4739 [0,2,0,0,0,0|1,0,1]=4 2675 B10R1.61 NC1=C(C(F)F)C=CC=N1 D42768 [0,2,0,0,0,0|2,0,0]=4 2676 B10R1.61 NC1=CC=CN=C1C(=O)O A0472 [0,2,0,0,0,0|1,0,1]=4 2677 B10R1.61 O=C(Cl)C1=C(I)C=CC=C1 K44672 [0,2,0,0,0,0|0,0,2]=4 2678 B10R1.61 O=C(O)C1=C(Br)C=CC=N1 B31223 [0,2,0,0,0,0|1,0,1]=4 2679 B10R1.61 O=C(O)C1=C(Br)C=NC=C1 B1556 [0,2,0,0,0,0|1,0,1]=4 2680 B10R1.61 O=C(O)C1=C(Cl)C=CC=N1 C14305 [0,2,0,0,0,0|1,0,1]=4 2681 B10R1.61 O=C(O)C1=C(Cl)C=CN=C1 C16032 [0,2,0,0,0,0|1,0,1]=4 2682 B10R1.61 O=C(O)C1=C(Cl)C=NC=C1 C42250 [0,2,0,0,0,0|1,0,1]=4 2683 B10R1.61 O=C(O)C1=C(F)C=CC=N1 F10405 [0,2,0,0,0,0|1,0,1]=4 2684 B10R1.61 O=C(O)C1=C(F)C=CN=C1 F61354 [0,2,0,0,0,0|1,0,1]=4 2685 B10R1.61 O=C(O)C1=C(F)C=NC=C1 F1912 [0,2,0,0,0,0|1,0,1]=4 2686 B10R1.61 O=C(O)C1=C(I)C=CC=N1 K42258 [0,2,0,0,0,0|1,0,1]=4 2687 B10R1.61 O=C(O)C1=C(O)C=NC=C1 H12635 [0,2,0,0,0,0|1,0,1]=4 2688 B10R1.61 O=C(O)C1=CC=CN=C1Br B23274 [0,2,0,0,0,0|1,0,1]=4 2689 B10R1.61 O=C(O)C1=CC=CN=C1Cl C22883 [0,2,0,0,0,0|1,0,1]=4 2690 B10R1.61 O=C(O)C1=CC=CN=C1F F38458 [0,2,0,0,0,0|1,0,1]=4 2691 B10R1.61 O=C(O)C1=CC=CNC1=S T69299 [0,2,0,0,0,0|1,0,1]=4 2692 B10R1.61 O=C(O)C1=CNC=CC1=O H67947 [0,2,0,0,0,0|1,0,1]=4 2693 B10R1.61 O=C(O)C1=NC=CC=C1O H25980 [0,2,0,0,0,0|1,0,1]=4 2694 B10R1.61 O=C1NC=CC=C1B(O)O X11948 [0,2,0,0,0,0|2,0,0]=4 2695 B10R1.61 O=[N+]([O-])C1=C(F)C=CC=C1 F68062 [0,2,0,0,0,0|1,0,1]=4 2696 B10R1.61 OB(O)C1=C(Br)C=CC=C1 B42940 [0,2,0,0,0,0|1,0,0]=3 2697 B10R1.61 OB(O)C1=C(Cl)C=CC=C1 C2240 [0,2,0,0,0,0|1,0,0]=3 2698 B10R1.61 OB(O)C1=C(Cl)C=NC=C1 C2292 [0,2,0,0,0,0|2,0,0]=4 2699 B10R1.61 OB(O)C1=C(F)C=CC=C1 F3340 [0,2,0,0,0,0|1,0,0]=3 2700 B10R1.61 OB(O)C1=C(F)C=NC=C1 F2378 [0,2,0,0,0,0|2,0,0]=4 2701 B10R1.61 OB(O)C1=C(O)C=CC=C1 H3736 [0,2,0,0,0,0|1,0,0]=3 2702 B10R1.61 OB(O)C1=CC=CN=C1Br B68801 [0,2,0,0,0,0|2,0,0]=4 2703 B10R1.61 OB(O)C1=CC=CN=C1Cl C3538 [0,2,0,0,0,0|2,0,0]=4 2704 B10R1.61 OB(O)C1=CC=CN=C1F F2425 [0,2,0,0,0,0|2,0,0]=4 2705 B10R1.61 OC1=C(C(F)F)C=CC=C1 D37751 [0,2,0,0,0,0|1,0,0]=3 2706 B10R1.4 CC1=C(CC#N)C=CC=C1 T69238 [0,2,0,0,0,0|1,0,0]=3 2707 B10R1.4 CC1=C(CCO)C=CC=C1 T50264 [0,2,0,0,0,0|0,0,0]=2 2708 B10R1.4 CC1=C(N=C=S)C=CC=C1 M60893 [0,2,0,0,0,0|0,1,1]=4 2709 B10R1.4 CCOC1=C(I)C=CC=N1 E46225 [0,2,0,0,0,0|2,0,0]=4 2710 B10R1.4 CCOC1=C(N)C=CN=C1 E26317 [0,2,0,0,0,0|2,0,0]=4 2711 B10R1.4 CCOC1=C(N)C=NC=C1 E38360 [0,2,0,0,0,0|2,0,0]=4 2712 B10R1.4 CCOC1=C([Mg+])C=CC=C1 E31764 [0,2,0,0,0,0|1,0,0]=3 2713 B10R1.4 CCOC1=CC=CNC1=O E46398 [0,2,0,0,0,0|2,0,0]=4 2714 B10R1.4 CCSC1=C(N)C=CC=C1 E46939 [0,2,0,0,0,0|1,0,0]=3 2715 B10R1.4 CNCC1=C(Br)C=CC=C1 B46737 [0,2,0,0,0,0|1,0,0]=3 2716 B10R1.4 CNCC1=C(C)C=CC=C1 M50314 [0,2,0,0,0,0|1,0,0]=3 2717 B10R1.4 CNCC1=C(Cl)C=CC=C1 C46748 [0,2,0,0,0,0|1,0,0]=3 2718 B10R1.4 CNCC1=C(F)C=CC=C1 F67727 [0,2,0,0,0,0|1,0,0]=3 2719 B10R1.4 CNCC1=C(F)C=CC=N1 F14667 [0,2,0,0,0,0|2,0,0]=4 2720 B10R1.4 COCC1=C(O)C=CC=C1 M69473 [0,2,0,0,0,0|0,0,0]=2 2721 B10R1.4 N#CCC1=C(Br)C=CC=C1 B69236 [0,2,0,0,0,0|1,0,0]=3 2722 B10R1.4 N#CCC1=C(Br)C=CC=N1 B14101 [0,2,0,0,0,0|2,0,0]=4 2723 B10R1.4 N#CCC1=C(Br)C=NC=C1 B44760 [0,2,0,0,0,0|2,0,0]=4 2724 B10R1.4 N#CCC1=C(Cl)C=CC=C1 C39466 [0,2,0,0,0,0|1,0,0]=3 2725 B10R1.4 N#CCC1=C(F)C=CC=C1 F68569 [0,2,0,0,0,0|1,0,0]=3 2726 B10R1.4 N#CCC1=C(F)C=CC=N1 F44800 [0,2,0,0,0,0|2,0,0]=4 2727 B10R1.4 N#CCC1=C(I)C=CC=C1 K47987 [0,2,0,0,0,0|1,0,0]=3 2728 B10R1.4 N#CCC1=C(N)C=CC=C1 A48786 [0,2,0,0,0,0|1,0,0]=3 2729 B10R1.4 N#CCC1=CC=CN=C1Br B44759 [0,2,0,0,0,0|2,0,0]=4 2730 B10R1.4 N#CCC1=CC=CN=C1Cl C0579 [0,2,0,0,0,0|2,0,0]=4 2731 B10R1.4 N#CCC1=NC=CC=C1N A37153 [0,2,0,0,0,0|2,0,0]=4 2732 B10R1.4 NC1=C(CCO)C=CC=C1 A46894 [0,2,0,0,0,0|0,0,0]=2 2733 B10R1.4 NCCC1=C(Br)C=CC=C1 B68553 [0,2,0,0,0,0|1,0,0]=3 2734 B10R1.4 NCCC1=C(Br)C=CC=N1 B14102 [0,2,0,0,0,0|2,0,0]=4 2735 B10R1.4 NCCC1=C(Cl)C=CC=C1 C69206 [0,2,0,0,0,0|1,0,0]=3 2736 B10R1.4 NCCC1=C(O)C=CC=C1 A46892 [0,2,0,0,0,0|1,0,0]=3 2737 B10R1.4 NNCC1=C(Br)C=CC=C1 B10205 [0,2,0,0,0,0|1,0,0]=3 2738 B10R1.4 NNCC1=C(Br)C=CC=C1 B7428 [0,2,0,0,0,0|1,0,0]=3 2739 B10R1.4 NNCC1=C(Cl)C=CC=C1 C10207 [0,2,0,0,0,0|1,0,0]=3 2740 B10R1.4 NNCC1=C(F)C=CC=C1 F0092 [0,2,0,0,0,0|1,0,0]=3 2741 B10R1.4 NNCC1=C(F)C=CC=C1 F7427 [0,2,0,0,0,0|1,0,0]=3 2742 B10R1.4 NOCC1=C(F)C=CC=C1 F63413 [0,2,0,0,0,0|0,0,0]=2 2743 B10R1.4 OCCC1=C(Br)C=CC=C1 B16411 [0,2,0,0,0,0|0,0,0]=2 2744 B10R1.4 OCCC1=C(Cl)C=CC=C1 C49443 [0,2,0,0,0,0|0,0,0]=2 2745 B10R1.4 OCCC1=C(F)C=CC=C1 F49457 [0,2,0,0,0,0|0,0,0]=2 2746 B10R1.4 OCCC1=C(I)C=CC=C1 K49472 [0,2,0,0,0,0|0,0,0]=2 2747 B10R1.17 BrCCCC1=CC=CC=C1 B49960 [0,2,0,0,0,0|1,0,0]=3 2748 B10R1.17 BrCCOC1=CC=CC=C1 B68804 [0,2,0,0,0,0|1,0,0]=3 2749 B10R1.17 C#CCCC1=CC=CC=C1 P62501 [0,2,0,0,0,0|1,0,0]=3 2750 B10R1.17 C=CCOC1=CC=CC=C1 A68573 [0,2,0,0,0,0|1,0,0]=3 2751 B10R1.17 C=COCC1=CC=CC=C1 B26636 [0,2,0,0,0,0|0,0,0]=2 2752 B10R1.17 CCCCC1=CC=NC=C1 B50306 [0,2,0,0,0,0|2,0,0]=4 2753 B10R1.17 CCCC[N+]1=CC=CC=C1 B52268 [0,2,0,0,0,0|2,0,0]=4 2754 B10R1.17 CCCOC1=CC=CC=C1 P50263 [0,2,0,0,0,0|1,0,0]=3 2755 B10R1.17 CCNCC1=CC=CC=C1 B39547 [0,2,0,0,0,0|1,0,0]=3 2756 B10R1.17 CCNCC1=NC=CC=C1 P46970 [0,2,0,0,0,0|2,0,0]=4 2757 B10R1.17 CCOCC1=CC=CC=C1 E50267 [0,2,0,0,0,0|0,0,0]=2 2758 B10R1.17 CNCCC1=CC=CN=C1 M46974 [0,2,0,0,0,0|2,0,0]=4 2759 B10R1.17 ClCC#CC1=CC=CC=C1 C51043 [0,2,0,0,0,0|1,0,0]=3 2760 B10R1.17 ClCCOC1=CC=CC=C1 C39521 [0,2,0,0,0,0|1,0,0]=3 2761 B10R1.17 ClCCSC1=CC=CC=C1 C49161 [0,2,0,0,0,0|1,0,0]=3 2762 B10R1.17 N#CCOC1=CC=CC=C1 P48439 [0,2,0,0,0,0|1,0,0]=3 2763 B10R1.17 NCCCC1=CC=NC=C1 P46966 [0,2,0,0,0,0|2,0,0]=4 2764 B10R1.17 NCCNC1=CC=CC=C1 P61733 [0,2,0,0,0,0|1,0,0]=3 2765 B10R1.17 NCCOC1=CC=CC=C1 P46889 [0,2,0,0,0,0|1,0,0]=3 2766 B10R1.17 NCCOC1=CC=NC=C1 P46588 [0,2,0,0,0,0|2,0,0]=4 2767 B10R1.17 NCCOC1=NC=CC=C1 P43633 [0,2,0,0,0,0|2,0,0]=4 2768 B10R1.17 O=CC#CC1=CC=CC=C1 P68152 [0,2,0,0,0,0|0,0,2]=4 2769 B10R1.17 OCC#CC1=CC=CC=C1 P51545 [0,2,0,0,0,0|0,0,0]=2 2770 B10R1.17 OCCCC1=CC=NC=C1 P46905 [0,2,0,0,0,0|1,0,0]=3 2771 B10R1.17 OCCCC1=NC=CC=C1 P62447 [0,2,0,0,0,0|1,0,0]=3 2772 B10R1.17 OCCCC1=NC=CC=C1 P7829 [0,2,0,0,0,0|1,0,0]=3 2773 B10R1.17 OCCSC1=NC=CC=C1 P46439 [0,2,0,0,0,0|1,0,0]=3 2774 B10R1.17 [Mg+]CCCC1=CC=CC=C1 P31712 [0,2,0,0,0,0|1,0,0]=3 2775 B10R1.17 [N-]=[N+]=NCC1=CC=CC=C1 B9123 [0,2,0,0,0,0|1,0,0]=3 2776 B10R1.17 [N-]=[N+]=NCC1=NC=CC=C1 A8446 [0,2,0,0,0,0|2,0,0]=4 2777 B10R1.18 CC(=O)CC1=CC=NC=C1 P49256 [0,2,0,0,0,0|1,0,1]=4 2778 B10R1.18 CC(=O)CC1=NC=CC=C1 P15826 [0,2,0,0,0,0|1,0,1]=4 2779 B10R1.18 CC(=O)NC1=CC=CC=C1 A60649 [0,2,0,0,0,0|0,0,2]=4 2780 B10R1.18 CC(C)=CC1=CC=CC=C1 M52675 [0,2,0,0,0,0|1,0,1]=4 2781 B10R1.18 CC(C)NC1=CC=CC=C1 P69278 [0,2,0,0,0,0|1,0,0]=3 2782 B10R1.18 CC(C)OC1=CN=CC=C1 P46891 [0,2,0,0,0,0|2,0,0]=4 2783 B10R1.18 CC(C)OC1=NC=CC=C1 P46890 [0,2,0,0,0,0|2,0,0]=4 2784 B10R1.18 FC(F)OC1=CC=CC=C1 D45605 [0,2,0,0,0,0|1,0,0]=3 2785 B10R1.18 N=C(N)CC1=CC=CC=C1 P22633 [0,2,0,0,0,0|1,0,0]=3 2786 B10R1.18 N=C(N)NC1=CC=CC=C1 P49691 [0,2,0,0,0,0|1,0,1]=4 2787 B10R1.18 NC(=O)CC1=CC=CC=C1 P69172 [0,2,0,0,0,0|0,0,1]=3 2788 B10R1.18 NC(=O)CC1=CN=CC=C1 P45977 [0,2,0,0,0,0|1,0,1]=4 2789 B10R1.18 NC(=O)OC1=CC=CC=C1 P45812 [0,2,0,0,0,0|0,0,2]=4 2790 B10R1.18 O=C(O)CC1=CC=NC=C1 P46551 [0,2,0,0,0,0|1,0,0]=3 2791 B10R1.18 O=C(O)CC1=CN=CC=C1 P39426 [0,2,0,0,0,0|1,0,0]=3 2792 B10R1.18 O=C(O)CC1=CN=CN=C1 P12239 [0,2,0,0,0,0|2,0,0]=4 2793 B10R1.18 O=C(O)CC1=CN=NC=C1 P10225 [0,2,0,0,0,0|2,0,0]=4 2794 B10R1.18 O=C(O)CC1=NC=CC=C1 P18563 [0,2,0,0,0,0|1,0,0]=3 2795 B10R1.18 O=C(O)CC1=NC=CC=C1 P38331 [0,2,0,0,0,0|1,0,0]=3 2796 B10R1.18 O=C(O)CC1=NC=CC=N1 P0756 [0,2,0,0,0,0|2,0,0]=4 2797 B10R1.18 O=C(O)CC1=NC=CN=C1 P12241 [0,2,0,0,0,0|2,0,0]=4 2798 B10R1.18 O=C(O)CC1=NC=NC=C1 P12245 [0,2,0,0,0,0|2,0,0]=4 2799 B10R1.18 O=C(O)CC1=NN=CC=C1 P12243 [0,2,0,0,0,0|2,0,0]=4 2800 B10R1.18 S=C(Cl)OC1=CC=CC=C1 P37341 [0,2,0,0,0,0|0,1,1]=4 2801 B10R1.20 C#CC1=C(C=O)C=CC=C1 E67701 [0,2,0,0,0,0|0,0,2]=4 2802 B10R1.20 C#CC1=C(OC)C=CC=C1 E38630 [0,2,0,0,0,0|1,0,1]=4 2803 B10R1.20 C=CC1=C(C=O)C=CC=C1 V51543 [0,2,0,0,0,0|0,0,2]=4 2804 B10R1.20 C=CC1=C(CO)C=CC=C1 V49872 [0,2,0,0,0,0|0,0,0]=2 2805 B10R1.20 CCC1=C(C=O)C=CC=C1 E49869 [0,2,0,0,0,0|1,0,0]=3 2806 B10R1.20 CCC1=C(CO)C=CC=C1 E50269 [0,2,0,0,0,0|0,0,0]=2 2807 B10R1.20 CNC1=C(C=O)C=CC=C1 M49260 [0,2,0,0,0,0|0,0,2]=4 2808 B10R1.20 CNC1=C(CO)C=CC=C1 M38311 [0,2,0,0,0,0|0,0,0]=2 2809 B10R1.20 CNC1=C(CO)C=CC=N1 M43647 [0,2,0,0,0,0|1,0,0]=3 2810 B10R1.20 CNC1=C(NC)C=CC=C1 D46973 [0,2,0,0,0,0|2,0,0]=4 2811 B10R1.20 CNC1=C(OC)C=CC=C1 M46897 [0,2,0,0,0,0|2,0,0]=4 2812 B10R1.20 COC1=C(C#N)C=CC=C1 M67889 [0,2,0,0,0,0|1,0,1]=4 2813 B10R1.20 COC1=C(C=O)C=CC=C1 A69129 [0,2,0,0,0,0|0,0,2]=4 2814 B10R1.20 COC1=C(CBr)C=CC=N1 B26711 [0,2,0,0,0,0|2,0,0]=4 2815 B10R1.20 COC1=C(CBr)C=CC=N1 B46181 [0,2,0,0,0,0|2,0,0]=4 2816 B10R1.20 COC1=C(CN)C=CC=C1 M46906 [0,2,0,0,0,0|1,0,0]=3 2817 B10R1.20 COC1=C(CN)C=CN=C1 M46465 [0,2,0,0,0,0|2,0,0]=4 2818 B10R1.20 COC1=C(CN)N=CC=C1 M46464 [0,2,0,0,0,0|2,0,0]=4 2819 B10R1.20 COC1=C(CO)C=NC=C1 M46401 [0,2,0,0,0,0|1,0,0]=3 2820 B10R1.20 COC1=C(CO)N=CC=C1 M46400 [0,2,0,0,0,0|1,0,0]=3 2821 B10R1.20 COC1=C(OC)C=CC=C1 D64830 [0,2,0,0,0,0|2,0,0]=4 2822 B10R1.20 COC1=NC=CC=C1CN A12723 [0,2,0,0,0,0|2,0,0]=4 2823 B10R1.20 COC1=NC=CC=C1CN A7689 [0,2,0,0,0,0|2,0,0]=4 2824 B10R1.20 COC1=NC=CC=C1CO M12722 [0,2,0,0,0,0|1,0,0]=3 2825 B10R1.20 ClCC1=CC=CN=C1CCl B62022 [0,2,0,0,0,0|2,0,0]=4 2826 B10R1.20 N#CC1=C(C#N)C=CC=C1 P68902 [0,2,0,0,0,0|1,0,1]=4 2827 B10R1.20 N#CC1=C(C=O)C=CC=C1 C38451 [0,2,0,0,0,0|0,0,2]=4 2828 B10R1.20 N#CC1=C(CBr)C=CC=C1 C39464 [0,2,0,0,0,0|1,0,0]=3 2829 B10R1.20 N#CC1=C(CBr)C=CC=N1 B37744 [0,2,0,0,0,0|2,0,0]=4 2830 B10R1.20 N#CC1=C(CN)C=CC=C1 A49610 [0,2,0,0,0,0|1,0,0]=3 2831 B10R1.20 N#CC1=C(CO)C=CC=C1 H36906 [0,2,0,0,0,0|0,0,0]=2 2832 B10R1.20 N#CC1=C(NN)C=CC=C1 H37662 [0,2,0,0,0,0|1,0,1]=4 2833 B10R1.20 NCC1=C(CO)C=CC=C1 A46911 [0,2,0,0,0,0|0,0,0]=2 2834 B10R1.20 NCC1=C(CO)C=CC=N1 A46594 [0,2,0,0,0,0|1,0,0]=3 2835 B10R1.20 O=CC1=C(C=O)C=CC=C1 B68577 [0,2,0,0,0,0|0,0,2]=4 2836 B10R1.20 OCC1=C(CBr)C=CC=C1 B39077 [0,2,0,0,0,0|0,0,0]=2 2837 B10R1.20 OCC1=C(CO)C=CC=C1 B60807 [0,2,0,0,0,0|0,0,0]=2 2838 B10R1.20 OCC1=C(CO)C=NC=C1 H29878 [0,2,0,0,0,0|1,0,0]=3 2839 B10R1.20 OCC1=C(CO)C=NC=C1 P12090 [0,2,0,0,0,0|1,0,0]=3 2840 B10R1.245 CC1=CC=CC(Br)=C1C#N B47947 [0,2,0,0,0,0|1,0,1]=4 2841 B10R1.245 CC1=CC=CC(Br)=C1C=O B62059 [0,2,0,0,0,0|0,0,2]=4 2842 B10R1.245 CC1=CC=CC(C)=C1C#N D51673 [0,2,0,0,0,0|1,0,1]=4 2843 B10R1.245 CC1=CC=CC(C)=C1C=O D49875 [0,2,0,0,0,0|0,0,2]=4 2844 B10R1.245 CC1=CC=CC(C)=C1CBr B38662 [0,2,0,0,0,0|1,0,0]=3 2845 B10R1.245 CC1=CC=CC(C)=C1CCl C49970 [0,2,0,0,0,0|1,0,0]=3 2846 B10R1.245 CC1=CC=CC(C)=C1CN D38617 [0,2,0,0,0,0|1,0,0]=3 2847 B10R1.245 CC1=CC=CC(C)=C1CO D50274 [0,2,0,0,0,0|0,0,0]=2 2848 B10R1.245 CC1=CC=CC(C)=C1NN D49536 [0,2,0,0,0,0|2,0,0]=4 2849 B10R1.245 CC1=CC=CC(F)=C1C#N F47974 [0,2,0,0,0,0|1,0,1]=4 2850 B10R1.245 CC1=CC=CC(F)=C1C=O F48739 [0,2,0,0,0,0|0,0,2]=4 2851 B10R1.245 CC1=CC=CC(F)=C1CO F49464 [0,2,0,0,0,0|0,0,0]=2 2852 B10R1.245 CC1=CC=CC(N)=C1C#N A48783 [0,2,0,0,0,0|1,0,1]=4 2853 B10R1.245 CC1=CC=CC(O)=C1C#N H48445 [0,2,0,0,0,0|1,0,1]=4 2854 B10R1.245 CC1=CC=CC(O)=C1C=O M38055 [0,2,0,0,0,0|0,0,2]=4 2855 B10R1.245 CC1=CC=CC(O)=C1CO H46831 [0,2,0,0,0,0|0,0,0]=2 2856 B10R1.245 CC1=CN=CC(C)=C1CO D46915 [0,2,0,0,0,0|1,0,0]=3 2857 B10R1.245 CCC1=C(Br)C=NC=C1F B45774 [0,2,0,0,0,0|2,0,0]=4 2858 B10R1.245 CNC1=C(Br)C=CC=C1N B46289 [0,2,0,0,0,0|2,0,0]=4 2859 B10R1.245 CNC1=C(F)C=CC=C1F D46547 [0,2,0,0,0,0|2,0,0]=4 2860 B10R1.245 COC1=C(Br)C=CC=C1Br D45550 [0,2,0,0,0,0|2,0,0]=4 2861 B10R1.245 COC1=C(Br)C=CC=C1Cl B45560 [0,2,0,0,0,0|2,0,0]=4 2862 B10R1.245 COC1=C(Br)C=CC=C1F B45573 [0,2,0,0,0,0|2,0,0]=4 2863 B10R1.245 COC1=C(Br)C=CC=C1N B46153 [0,2,0,0,0,0|2,0,0]=4 2864 B10R1.245 COC1=C(Br)C=CC=C1O B61272 [0,2,0,0,0,0|2,0,0]=4 2865 B10R1.245 COC1=C(Cl)C=CC=C1F C45593 [0,2,0,0,0,0|2,0,0]=4 2866 B10R1.245 COC1=C(Cl)C=CC=C1N C46187 [0,2,0,0,0,0|2,0,0]=4 2867 B10R1.245 COC1=C(F)C=CC=C1N F38584 [0,2,0,0,0,0|2,0,0]=4 2868 B10R1.245 ClC1=CC=CC(Br)=C1CBr B44689 [0,2,0,0,0,0|1,0,0]=3 2869 B10R1.245 ClC1=CC=CC(Cl)=C1CBr D22237 [0,2,0,0,0,0|1,0,0]=3 2870 B10R1.245 FC1=CC=CC(Cl)=C1CBr B44716 [0,2,0,0,0,0|1,0,0]=3 2871 B10R1.245 FC1=CC=CC(I)=C1CBr B44728 [0,2,0,0,0,0|1,0,0]=3 2872 B10R1.245 FC1=CN=CC(Br)=C1CCl B42206 [0,2,0,0,0,0|2,0,0]=4 2873 B10R1.245 N#CC1=C(Br)C=CC=C1Br D38725 [0,2,0,0,0,0|1,0,1]=4 2874 B10R1.245 N#CC1=C(Br)C=CC=C1Cl B44092 [0,2,0,0,0,0|1,0,1]=4 2875 B10R1.245 N#CC1=C(Br)C=CC=C1F B44106 [0,2,0,0,0,0|1,0,1]=4 2876 B10R1.245 N#CC1=C(Br)C=CC=C1N A44737 [0,2,0,0,0,0|1,0,1]=4 2877 B10R1.245 N#CC1=C(Cl)C=CC=C1F C39315 [0,2,0,0,0,0|1,0,1]=4 2878 B10R1.245 N#CC1=C(Cl)C=CC=C1N A44770 [0,2,0,0,0,0|1,0,1]=4 2879 B10R1.245 N#CC1=C(Cl)C=CC=C1O C1753 [0,2,0,0,0,0|1,0,1]=4 2880 B10R1.245 N#CC1=C(F)C=CC=C1F D68893 [0,2,0,0,0,0|1,0,1]=4 2881 B10R1.245 N#CC1=C(F)C=CC=C1N A39354 [0,2,0,0,0,0|1,0,1]=4 2882 B10R1.245 N#CC1=C(F)C=CC=C1O F44544 [0,2,0,0,0,0|1,0,1]=4 2883 B10R1.245 N#CC1=C(I)C=CC=C1Br B44113 [0,2,0,0,0,0|1,0,1]=4 2884 B10R1.245 N#CC1=C(I)C=CC=C1Cl C44129 [0,2,0,0,0,0|1,0,1]=4 2885 B10R1.245 N#CC1=C(I)C=CC=C1F F25440 [0,2,0,0,0,0|1,0,1]=4 2886 B10R1.245 NC1=CC=CC(Br)=C1C=O A13184 [0,2,0,0,0,0|0,0,2]=4 2887 B10R1.245 NC1=CC=CC(Cl)=C1C=O A45482 [0,2,0,0,0,0|0,0,2]=4 2888 B10R1.245 NC1=CC=CC(Cl)=C1CO A46197 [0,2,0,0,0,0|0,0,0]=2 2889 B10R1.245 NC1=CC=CC(F)=C1CO A46216 [0,2,0,0,0,0|0,0,0]=2 2890 B10R1.245 NCC1=C(Br)C=CC=C1Br D45759 [0,2,0,0,0,0|1,0,0]=3 2891 B10R1.245 NCC1=C(Cl)C=CC=C1Cl D45794 [0,2,0,0,0,0|1,0,0]=3 2892 B10R1.245 NCC1=C(Cl)C=NC=C1Cl D42752 [0,2,0,0,0,0|2,0,0]=4 2893 B10R1.245 NCC1=C(F)C=CC=C1F D45807 [0,2,0,0,0,0|1,0,0]=3 2894 B10R1.245 NNC1=C(Br)C=CC=C1F B42738 [0,2,0,0,0,0|2,0,0]=4 2895 B10R1.245 NNC1=C(Cl)C=CC=C1Cl D42753 [0,2,0,0,0,0|2,0,0]=4 2896 B10R1.245 NNC1=C(Cl)C=CC=C1F C42762 [0,2,0,0,0,0|2,0,0]=4 2897 B10R1.245 NNC1=C(F)C=CC=C1F D42765 [0,2,0,0,0,0|2,0,0]=4 2898 B10R1.245 NNC1=C(F)C=CC=C1F D69479 [0,2,0,0,0,0|2,0,0]=4 2899 B10R1.245 O=CC1=C(Br)C=CC=C1Br D36972 [0,2,0,0,0,0|0,0,2]=4 2900 B10R1.245 O=CC1=C(Br)C=CC=C1Cl B44636 [0,2,0,0,0,0|0,0,2]=4 2901 B10R1.245 O=CC1=C(Br)C=CC=C1F B38461 [0,2,0,0,0,0|0,0,2]=4 2902 B10R1.245 O=CC1=C(Br)C=CC=C1O B45083 [0,2,0,0,0,0|0,0,2]=4 2903 B10R1.245 O=CC1=C(Cl)C=CC=C1Cl D67911 [0,2,0,0,0,0|0,0,2]=4 2904 B10R1.245 O=CC1=C(Cl)C=CC=C1F C68856 [0,2,0,0,0,0|0,0,2]=4 2905 B10R1.245 O=CC1=C(Cl)C=CC=C1O C21966 [0,2,0,0,0,0|0,0,2]=4 2906 B10R1.245 O=CC1=C(F)C=CC=C1F D44677 [0,2,0,0,0,0|0,0,2]=4 2907 B10R1.245 O=CC1=C(F)C=CC=C1O F45100 [0,2,0,0,0,0|0,0,2]=4 2908 B10R1.245 O=CC1=C(I)C=CC=C1Cl C44673 [0,2,0,0,0,0|0,0,2]=4 2909 B10R1.245 O=CC1=C(O)C=CC=C1O D38677 [0,2,0,0,0,0|0,0,2]=4 2910 B10R1.245 OCC1=C(Br)C=CC=C1Br D45546 [0,2,0,0,0,0|0,0,0]=2 2911 B10R1.245 OCC1=C(Br)C=CC=C1F B45569 [0,2,0,0,0,0|0,0,0]=2 2912 B10R1.245 OCC1=C(Br)C=NC=C1Cl B42650 [0,2,0,0,0,0|1,0,0]=3 2913 B10R1.245 OCC1=C(Cl)C=CC=C1Cl D45590 [0,2,0,0,0,0|0,0,0]=2 2914 B10R1.245 OCC1=C(Cl)C=NC=C1Cl D8287 [0,2,0,0,0,0|1,0,0]=3 2915 B10R1.245 OCC1=C(F)C=CC=C1F D39395 [0,2,0,0,0,0|0,0,0]=2 2916 B10R1.245 OCC1=C(I)C=CN=C1F F3125 [0,2,0,0,0,0|1,0,0]=3 2917 B8R2.34 C1=CC2C=CC1C2 B61169 [1,0,0,1,0,0|0,0,2]=4 2918 B10R2.31 BrC1=CC2=C(C=C1)CC2 B48297 [0,1,0,1,0,0|1,0,0]=3 2919 B10R2.6 C1=CC=C([C@@H]2CO2)C=C1 P68601 [0,1,0,1,0,0|0,0,0]=2 2920 B10R2.6 C1=CC=C([C@H]2CO2)C=C1 P68362 [0,1,0,1,0,0|0,0,0]=2 2921 B10R2.320 Br[C@H]1CC2=C1C=CC=C2 B68954 [0,1,0,1,0,0|1,0,0]=3 2922 B10R2.320 O=C1CC2=C1C=CC=C2 B36727 [0,1,0,1,0,0|0,0,1]=3 2923 B10R2.7 C1=CC2=C(C=C1)CNC2 D64953 [0,1,0,1,0,0|1,0,0]=3 2924 B10R2.7 C1=CC2=C(C=C1)NC=N2 B69282 [0,1,0,1,0,0|1,0,1]=4 2925 B10R2.7 C1=CC2=C(C=C1)NN=C2 I14459 [0,1,0,1,0,0|1,0,1]=4 2926 B10R2.7 C1=CC2=C(C=C1)NN=N2 B38421 [0,1,0,1,0,0|2,0,0]=4 2927 B10R2.7 C1=CC2=C(C=C1)OC=N2 B39360 [0,1,0,1,0,0|0,0,1]=3 2928 B10R2.7 C1=CC2=C(C=C1)OCC2 D65079 [0,1,0,1,0,0|0,0,0]=2 2929 B10R2.7 C1=CC2=C(C=C1)OCO2 B69389 [0,1,0,1,0,0|0,0,0]=2 2930 B10R2.7 C1=CC2=C(C=C1)SC=N2 B68567 [0,1,0,1,0,0|0,1,1]=4 2931 B10R2.7 C1=CC2=C(C=C1)SCS2 B61366 [0,1,0,1,0,0|0,1,0]=3 2932 B10R2.7 C1=CC2=C(C=CO2)N=C1 F10431 [0,1,0,1,0,0|1,0,1]=4 2933 B10R2.7 C1=CC2=C(C=N1)CNC2 D3869 [0,1,0,1,0,0|2,0,0]=4 2934 B10R2.7 C1=CC2=C(C=N1)COC2 D46549 [0,1,0,1,0,0|1,0,0]=3 2935 B10R2.7 C1=CC2=C(C=N1)N=CO2 X42084 [0,1,0,1,0,0|1,0,1]=4 2936 B10R2.7 C1=CC2=C(C=N1)NCC2 D36872 [0,1,0,1,0,0|2,0,0]=4 2937 B10R2.7 C1=CC2=C(C=N1)NCC2 D46553 [0,1,0,1,0,0|2,0,0]=4 2938 B10R2.7 C1=CC2=C(C=N1)OC=C2 F3036 [0,1,0,1,0,0|1,0,1]=4 2939 B10R2.7 C1=CC2=C(N=C1)N=CO2 X42083 [0,1,0,1,0,0|1,0,1]=4 2940 B10R2.7 C1=CC2=NSN=C2C=C1 B69028 [0,1,0,1,0,0|1,1,0]=4 2941 B10R2.7 C1=CN=C2CCCC2=C1 C67437 [0,1,0,1,0,0|2,0,0]=4 2942 B10R2.7 C1=CN=C2CNCC2=C1 D12180 [0,1,0,1,0,0|2,0,0]=4 2943 B10R2.7 C1=CN=C2CNCC2=C1 D3602 [0,1,0,1,0,0|2,0,0]=4 2944 B10R2.7 C1=CN=C2NCCC2=C1 D0150 [0,1,0,1,0,0|2,0,0]=4 2945 B10R2.7 C1=CN=C2NCCC2=C1 D65478 [0,1,0,1,0,0|2,0,0]=4 2946 B10R2.7 C1=CN=C2OC=NC2=C1 X42085 [0,1,0,1,0,0|1,0,1]=4 2947 B6R1.2 BrC1=CC=CS1 B69329 [1,0,0,0,1,0|2,0,0]=4 2948 B6R1.2 BrC1=COC=C1 B40068 [1,0,0,0,1,0|2,0,0]=4 2949 B6R1.2 BrC1=CSC=C1 B39148 [1,0,0,0,1,0|2,0,0]=4 2950 B6R1.2 CC1=CC=CN1 M37933 [1,0,0,0,1,0|1,0,0]=3 2951 B6R1.2 CC1=CC=CS1 M39179 [1,0,0,0,1,0|1,0,0]=3 2952 B6R1.2 CC1=CC=NO1 M24354 [1,0,0,0,1,0|2,0,0]=4 2953 B6R1.2 CC1=CN=CS1 M40166 [1,0,0,0,1,0|2,0,0]=4 2954 B6R1.2 CC1=CNC=C1 M14657 [1,0,0,0,1,0|1,0,0]=3 2955 B6R1.2 CC1=COC=N1 M13405 [1,0,0,0,1,0|2,0,0]=4 2956 B6R1.2 CC1=CSC=N1 M24933 [1,0,0,0,1,0|2,0,0]=4 2957 B6R1.2 CC1=NC=CS1 M40165 [1,0,0,0,1,0|2,0,0]=4 2958 B6R1.2 CC1=NNC=C1 M36663 [1,0,0,0,1,0|2,0,0]=4 2959 B6R1.2 CC1=NOC=C1 M40157 [1,0,0,0,1,0|2,0,0]=4 2960 B6R1.2 CN1C=CC=N1 M12066 [1,0,0,0,1,0|2,0,0]=4 2961 B6R1.2 CN1C=CN=C1 M68061 [1,0,0,0,1,0|2,0,0]=4 2962 B6R1.2 ClC1=CSC=C1 C40018 [1,0,0,0,1,0|2,0,0]=4 2963 B6R1.2 IC1=CC=CS1 K39149 [1,0,0,0,1,0|2,0,0]=4 2964 B6R1.2 IC1=CSC=C1 K40019 [1,0,0,0,1,0|2,0,0]=4 2965 B6R1.2 NC1=CSC=C1 A40167 [1,0,0,0,1,0|2,0,0]=4 2966 B6R1.2 NC1=CSC=C1 T10330 [1,0,0,0,1,0|2,0,0]=4 2967 B6R1.2 NC1=CSC=C1 T64858 [1,0,0,0,1,0|2,0,0]=4 2968 B6R1.2 NN1C=CC=C1 A7731 [1,0,0,0,1,0|2,0,0]=4 2969 B6R1.2 OC1=CNN=C1 P61602 [1,0,0,0,1,0|2,0,0]=4 2970 B6R1.2 OC1=NC=CS1 H39829 [1,0,0,0,1,0|2,0,0]=4 2971 B6R1.2 OC1=NNC=C1 P24482 [1,0,0,0,1,0|2,0,0]=4 2972 B6R1.2 ON1C=CC=N1 P25523 [1,0,0,0,1,0|2,0,0]=4