0 B9R1.8 BrCCC1=CC=CC=C1 LL0334 [0,0,0,0,0,0|1,0,0]=1 1 B9R1.8 BrCCC1=CC=NC=C1 CJ2885 [0,0,0,0,0,0|2,0,0]=2 2 B9R1.8 BrCCC1=NC=CC=C1 LX2681 [0,0,0,0,0,0|2,0,0]=2 3 B9R1.8 BrCCC1=NC=CC=C1 YH16042 [0,0,0,0,0,0|2,0,0]=2 4 B9R1.8 C=CSC1=CC=CC=C1 HL0999 [0,0,0,0,0,0|2,0,1]=3 5 B9R1.8 CCCC1=CC=NC=C1 LT3807 [0,0,0,0,0,0|2,0,0]=2 6 B9R1.8 CCOC1=NC=CC=C1 LT1993 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.8 CCSC1=CC=CC=C1 JZ4001 [0,0,0,0,0,0|2,0,0]=2 8 B9R1.8 CNCC1=CC=CC=C1 RT3204 [0,0,0,0,0,0|2,0,0]=2 9 B9R1.8 CNCC1=CC=CN=C1 LQ4200 [0,0,0,0,0,0|3,0,0]=3 10 B9R1.8 COCC1=CC=CN=C1 LQ5401 [0,0,0,0,0,0|3,0,0]=3 11 B9R1.8 COCC1=NC=CN=C1 LT2349 [0,0,0,0,0,0|4,0,0]=4 12 B9R1.8 CSSC1=CC=CC=C1 JZ4887 [0,0,0,0,0,0|3,0,0]=3 13 B9R1.8 C\C=C\C1=CC=CC=C1 RT6350 [0,0,0,0,0,0|1,0,2]=3 14 B9R1.8 C\C=C\C1=CC=CC=C1 RT6415 [0,0,0,0,0,0|1,0,2]=3 15 B9R1.8 ClCCC1=CC=CC=C1 JZ3996 [0,0,0,0,0,0|1,0,0]=1 16 B9R1.8 ClCCC1=CC=CC=C1 JZ4528 [0,0,0,0,0,0|1,0,0]=1 17 B9R1.8 ClCCC1=CC=NC=C1 CJ2857 [0,0,0,0,0,0|2,0,0]=2 18 B9R1.8 N#CCC1=CC=CN=C1 LT6846 [0,0,0,0,0,0|2,0,1]=3 19 B9R1.8 N#CCC1=CN=CN=C1 YH65437 [0,0,0,0,0,0|3,0,1]=4 20 B9R1.8 N#CCC1=NC=CC=C1 LT2169 [0,0,0,0,0,0|2,0,1]=3 21 B9R1.8 N#COC1=CC=CC=C1 RT6011 [0,0,0,0,0,0|2,0,1]=3 22 B9R1.8 NCCC1=CC=CN=C1 LQ4201 [0,0,0,0,0,0|2,0,0]=2 23 B9R1.8 NCCC1=CC=NC=C1 YH11719 [0,0,0,0,0,0|2,0,0]=2 24 B9R1.8 NNCC1=CC=CC=C1 LQ1000 [0,0,0,0,0,0|2,0,0]=2 25 B9R1.8 NNCC1=CC=CC=C1 LX3048 [0,0,0,0,0,0|2,0,0]=2 26 B9R1.8 NOCC1=CC=CC=C1 LT5864 [0,0,0,0,0,0|2,0,0]=2 27 B9R1.8 O=C=NC1=CC=CC=C1 LL0339 [0,0,0,0,0,0|1,1,1]=3 28 B9R1.8 O=C=NC1=NC=CC=C1 RT8706 [0,0,0,0,0,0|2,1,1]=4 29 B9R1.8 O=CCC1=CC=CC=C1 XJ0479 [0,0,0,0,0,0|0,1,1]=2 30 B9R1.8 O=CCC1=CC=CN=C1 RT9275 [0,0,0,0,0,0|1,1,1]=3 31 B9R1.8 O=COC1=CC=CC=C1 HL2038 [0,0,0,0,0,0|1,1,1]=3 32 B9R1.8 O=N\C=C1\C=CC=CN1 RT8508 [0,0,0,0,0,0|2,1,1]=4 33 B9R1.8 OCCC1=CC=CC=C1 YH43593 [0,0,0,0,0,0|0,1,0]=1 34 B9R1.8 OCCC1=CC=NC=C1 XJ2857 [0,0,0,0,0,0|1,1,0]=2 35 B9R1.8 O\N=C\C1=CC=CC=C1 RT6343 [0,0,0,0,0,0|1,1,1]=3 36 B9R1.8 SCCC1=CC=NC=C1 RT10479 [0,0,0,0,0,0|1,0,0]=1 37 B9R1.8 SCCC1=NC=CC=C1 RT10478 [0,0,0,0,0,0|1,0,0]=1 38 B9R1.8 [2H]\C=C\C1=CC=CC=C1 RT11345 [0,0,0,0,0,0|1,0,2]=3 39 B8R1.2 BrCC1=CC=CC=C1 JZ1264 [1,0,0,0,0,0|1,0,0]=2 40 B8R1.2 BrCC1=CC=CN=C1 YH03265 [1,0,0,0,0,0|2,0,0]=3 41 B8R1.2 BrCC1=CC=CN=C1 YH65568 [1,0,0,0,0,0|2,0,0]=3 42 B8R1.2 BrCC1=CN=CN=C1 YH49551 [1,0,0,0,0,0|3,0,0]=4 43 B8R1.2 BrCC1=NC=CC=C1 LQ4674 [1,0,0,0,0,0|2,0,0]=3 44 B8R1.2 Br[Mg]C1=CC=CC=C1 HL1276 [1,0,0,0,0,0|2,0,0]=3 45 B8R1.2 C#CC1=CC=NC=C1 YH65004 [1,0,0,0,0,0|1,0,2]=4 46 B8R1.2 C#CC1=NC=CC=C1 JZ1801 [1,0,0,0,0,0|1,0,2]=4 47 B8R1.2 C=CC1=CC=CC=C1 XJ3473 [1,0,0,0,0,0|0,0,2]=3 48 B8R1.2 C=CC1=CC=CN=C1 RT7678 [1,0,0,0,0,0|1,0,2]=4 49 B8R1.2 CCC1=CC=CN=C1 JZ1084 [1,0,0,0,0,0|1,0,0]=2 50 B8R1.2 CCC1=CC=NC=C1 LL0974 [1,0,0,0,0,0|1,0,0]=2 51 B8R1.2 CNC1=CC=CN=C1 LT2493 [1,0,0,0,0,0|2,0,0]=3 52 B8R1.2 CNC1=CC=NC=C1 LT6892 [1,0,0,0,0,0|2,0,0]=3 53 B8R1.2 COC1=CC=CCC1 JZ1877 [1,0,0,0,0,0|1,0,2]=4 54 B8R1.2 COC1=CC=CN=C1 LT6817 [1,0,0,0,0,0|2,0,0]=3 55 B8R1.2 COC1=NC=CC=C1 LT2109 [1,0,0,0,0,0|2,0,0]=3 56 B8R1.2 COC1=NC=CN=C1 LT2105 [1,0,0,0,0,0|3,0,0]=4 57 B8R1.2 CSC1=NC=CC=C1 LT2167 [1,0,0,0,0,0|2,0,0]=3 58 B8R1.2 CSC1=NC=CN=C1 LT1494 [1,0,0,0,0,0|3,0,0]=4 59 B8R1.2 ClCC1=CC=CC=C1 HL1268 [1,0,0,0,0,0|1,0,0]=2 60 B8R1.2 ClCC1=CC=CC=N1 JZ2503 [1,0,0,0,0,0|2,0,0]=3 61 B8R1.2 ClCC1=CC=CN=C1 JZ0781 [1,0,0,0,0,0|2,0,0]=3 62 B8R1.2 ClCC1=CC=CN=C1 YH53620 [1,0,0,0,0,0|2,0,0]=3 63 B8R1.2 ClCC1=CN=CN=C1 YH20882 [1,0,0,0,0,0|3,0,0]=4 64 B8R1.2 ClCC1=NC=CC=C1 JZ0742 [1,0,0,0,0,0|2,0,0]=3 65 B8R1.2 ClCC1=NC=CC=C1 LT2316 [1,0,0,0,0,0|2,0,0]=3 66 B8R1.2 ClCC1=NC=CC=N1 YH06236 [1,0,0,0,0,0|3,0,0]=4 67 B8R1.2 ClCC1=NC=CN=C1 YH58834 [1,0,0,0,0,0|3,0,0]=4 68 B8R1.2 ClCC1=NC=CN=C1 YH66696 [1,0,0,0,0,0|3,0,0]=4 69 B8R1.2 N#CC1=CC=CC=C1 JZ4954 [1,0,0,0,0,0|1,0,1]=3 70 B8R1.2 N#CC1=CC=CC=C1 XJ4015 [1,0,0,0,0,0|1,0,1]=3 71 B8R1.2 N#CC1=CC=CN=C1 LT3052 [1,0,0,0,0,0|2,0,1]=4 72 B8R1.2 N#CC1=CC=NC=C1 JZ0789 [1,0,0,0,0,0|2,0,1]=4 73 B8R1.2 N#CC1=NC=CC=C1 JZ0735 [1,0,0,0,0,0|2,0,1]=4 74 B8R1.2 NCC1=CC=CC=C1 LQ1371 [1,0,0,0,0,0|1,0,0]=2 75 B8R1.2 NCC1=CC=CN=C1 RT2311 [1,0,0,0,0,0|2,0,0]=3 76 B8R1.2 NCC1=CC=NC=C1 LL1070 [1,0,0,0,0,0|2,0,0]=3 77 B8R1.2 NCC1=CC=NC=C1 RT10176 [1,0,0,0,0,0|2,0,0]=3 78 B8R1.2 NCC1=NC=CC=C1 HL2591 [1,0,0,0,0,0|2,0,0]=3 79 B8R1.2 NCC1=NC=CC=N1 YH17523 [1,0,0,0,0,0|3,0,0]=4 80 B8R1.2 NCC1=NC=CN=C1 YH58835 [1,0,0,0,0,0|3,0,0]=4 81 B8R1.2 NNC1=CC=CC=C1 HL1279 [1,0,0,0,0,0|2,0,0]=3 82 B8R1.2 NNC1=CC=CC=C1 JZ5772 [1,0,0,0,0,0|2,0,0]=3 83 B8R1.2 NNC1=CC=CN=C1 YH00904 [1,0,0,0,0,0|3,0,0]=4 84 B8R1.2 NNC1=CC=CN=C1 YH12082 [1,0,0,0,0,0|3,0,0]=4 85 B8R1.2 NNC1=CC=CN=C1 YH57193 [1,0,0,0,0,0|3,0,0]=4 86 B8R1.2 O=CC1=CC=CC=N1 JZ0732 [1,0,0,0,0,0|1,1,1]=4 87 B8R1.2 O=CC1=CC=CN=C1 RT10183 [1,0,0,0,0,0|1,1,1]=4 88 B8R1.2 O=NC1=CC=CC=C1 YH08587 [1,0,0,0,0,0|1,1,0]=3 89 B8R1.2 O=[As]C1=CC=CC=C1 JZ4036 [1,0,0,0,0,0|1,1,0]=3 90 B8R1.2 OCC1=CC=CC=C1 HL1271 [1,0,0,0,0,0|0,1,0]=2 91 B8R1.2 OCC1=CC=CC=N1 LT2170 [1,0,0,0,0,0|1,1,0]=3 92 B8R1.2 OCC1=CN=CC=C1 HL1274 [1,0,0,0,0,0|1,1,0]=3 93 B8R1.2 OCC1=CN=CN=C1 LX3222 [1,0,0,0,0,0|2,1,0]=4 94 B8R1.2 OCC1=NC=CN=C1 YH13049 [1,0,0,0,0,0|2,1,0]=4 95 B8R1.2 OCC1=NC=NC=C1 YH55246 [1,0,0,0,0,0|2,1,0]=4 96 B8R1.2 O[Hg]C1=CC=CC=C1 LQ3360 [1,0,0,0,0,0|1,1,0]=3 97 B8R1.2 SCC1=CC=CC=C1 HL1273 [1,0,0,0,0,0|0,0,0]=1 98 B8R1.2 SCC1=NC=CN=C1 LQ5467 [1,0,0,0,0,0|2,0,0]=3 99 B8R1.2 [C-]#CC1=CC=CC=C1 JZ3648 [1,0,0,0,0,0|0,0,2]=3 100 B8R1.2 [C-]#[N+]C1=CC=CC=C1 YH65599 [1,0,0,0,0,0|1,0,1]=3 101 B10R1.1 Br\C=C\C1=CC=C(Br)C=C1 RT6387 [0,1,0,0,0,0|1,0,2]=4 102 B10R1.1 CC1=CC=C(CC#N)C=C1 JZ2192 [0,1,0,0,0,0|1,0,1]=3 103 B10R1.1 CC1=CC=C(CC#N)C=N1 RT12580 [0,1,0,0,0,0|2,0,1]=4 104 B10R1.1 CC1=CC=C(CCN)C=C1 XJ2410 [0,1,0,0,0,0|1,0,0]=2 105 B10R1.1 CC1=CC=C(N=C=O)C=C1 LT3140 [0,1,0,0,0,0|1,1,1]=4 106 B10R1.1 CC1=CN=C(CCN)C=C1 YH88428 [0,1,0,0,0,0|2,0,0]=3 107 B10R1.1 CCCC1=CC=C(N)C=C1 XJ2253 [0,1,0,0,0,0|1,0,0]=2 108 B10R1.1 CCNC1=CC=C(C)C=C1 JZ4006 [0,1,0,0,0,0|2,0,0]=3 109 B10R1.1 CCNC1=CC=C(Cl)C=C1 YH66088 [0,1,0,0,0,0|2,0,0]=3 110 B10R1.1 CCOC1=CC=C(Br)C=N1 LQ5337 [0,1,0,0,0,0|3,0,0]=4 111 B10R1.1 CCOC1=CC=C(I)C=C1 LQ1391 [0,1,0,0,0,0|2,0,0]=3 112 B10R1.1 CCOC1=CC=C(N)C=C1 RT3081 [0,1,0,0,0,0|2,0,0]=3 113 B10R1.1 CCOC1=CC=C(O)C=C1 JZ4008 [0,1,0,0,0,0|2,0,0]=3 114 B10R1.1 CCOC1=CN=C(Cl)C=C1 LX1903 [0,1,0,0,0,0|3,0,0]=4 115 B10R1.1 CCOC1=NC=C(N)C=C1 YH04966 [0,1,0,0,0,0|3,0,0]=4 116 B10R1.1 CNCC1=CC=C(Cl)N=C1 RT2410 [0,1,0,0,0,0|3,0,0]=4 117 B10R1.1 COCC1=CC=C(O)C=C1 YH05854 [0,1,0,0,0,0|2,0,0]=3 118 B10R1.1 ClC1=CC=C(CCBr)C=C1 XJ3158 [0,1,0,0,0,0|1,0,0]=2 119 B10R1.1 ClC1=CC=C(\C=C\Br)C=C1 RT6043 [0,1,0,0,0,0|1,0,2]=4 120 B10R1.1 FC1=CC=C(CCBr)C=C1 RT12501 [0,1,0,0,0,0|1,0,0]=2 121 B10R1.1 FC1=CC=C(N=C=S)C=C1 JZ4612 [0,1,0,0,0,0|1,0,2]=4 122 B10R1.1 N#CCC1=CC=C(Br)C=C1 LT6208 [0,1,0,0,0,0|1,0,1]=3 123 B10R1.1 N#CCC1=CC=C(Cl)C=C1 JZ0810 [0,1,0,0,0,0|1,0,1]=3 124 B10R1.1 N#CCC1=CC=C(F)C=C1 HL1841 [0,1,0,0,0,0|1,0,1]=3 125 B10R1.1 N#CCC1=CC=C(I)C=C1 LQ5219 [0,1,0,0,0,0|1,0,1]=3 126 B10R1.1 N#CCC1=CC=C(N)C=C1 LT1657 [0,1,0,0,0,0|1,0,1]=3 127 B10R1.1 N#CCC1=NC=C(Br)C=C1 LX2842 [0,1,0,0,0,0|2,0,1]=4 128 B10R1.1 N#CNC1=CC=C(Cl)C=C1 RT6056 [0,1,0,0,0,0|2,0,1]=4 129 B10R1.1 NCCC1=CC=C(Br)C=C1 LL1320 [0,1,0,0,0,0|1,0,0]=2 130 B10R1.1 NCCC1=CC=C(Cl)C=C1 LQ0644 [0,1,0,0,0,0|1,0,0]=2 131 B10R1.1 NCCC1=CC=C(F)C=C1 LT3075 [0,1,0,0,0,0|1,0,0]=2 132 B10R1.1 NCCC1=CC=C(N)C=C1 LT0213 [0,1,0,0,0,0|1,0,0]=2 133 B10R1.1 NCCC1=CC=C(O)C=C1 RT6525 [0,1,0,0,0,0|1,0,0]=2 134 B10R1.1 NCCC1=CC=C(O)C=C1 YH09355 [0,1,0,0,0,0|1,0,0]=2 135 B10R1.1 O=C=NC1=CC=C(F)C=C1 JZ4482 [0,1,0,0,0,0|1,1,1]=4 136 B10R1.1 O=CCC1=CC=C(F)C=C1 YH40007 [0,1,0,0,0,0|0,1,1]=3 137 B10R1.1 O=CCC1=CC=C(O)C=C1 RT6375 [0,1,0,0,0,0|0,1,1]=3 138 B10R1.1 OCCC1=CC=C(Br)C=C1 LQ2719 [0,1,0,0,0,0|0,1,0]=2 139 B10R1.1 OCCC1=CC=C(F)C=C1 LT2419 [0,1,0,0,0,0|0,1,0]=2 140 B10R1.1 OCCC1=CC=C(O)C=C1 RT12563 [0,1,0,0,0,0|0,1,0]=2 141 B10R1.1 O\N=C\C1=CC=C(F)C=C1 YH02278 [0,1,0,0,0,0|1,1,1]=4 142 B10R1.1 [N-]=[N+]=NC1=CC=C(N)C=C1 CJ3233 [0,1,0,0,0,0|3,0,0]=4 143 B10R1.1 [N-]=[N+]=NC1=CC=C(N)C=C1 CJ3234 [0,1,0,0,0,0|3,0,0]=4 144 B10R1.4 Br\C=C\C1=CC=CC=C1Br RT6046 [0,1,0,0,0,0|1,0,2]=4 145 B10R1.4 CC1=CC=CC=C1CC#N LT5660 [0,1,0,0,0,0|1,0,1]=3 146 B10R1.4 CC1=CC=CC=C1N=C=O HL0189 [0,1,0,0,0,0|1,1,1]=4 147 B10R1.4 CC1=CC=CC=C1N=C=S HL0190 [0,1,0,0,0,0|1,0,2]=4 148 B10R1.4 CC1=NC=CC=C1CC#N RT8737 [0,1,0,0,0,0|2,0,1]=4 149 B10R1.4 CC1=NC=CC=C1CCO RT8739 [0,1,0,0,0,0|1,1,0]=3 150 B10R1.4 CCCC1=CC=CC=C1O JZ4091 [0,1,0,0,0,0|1,0,0]=2 151 B10R1.4 CCOC1=C(Br)C=CC=C1 XJ1001 [0,1,0,0,0,0|2,0,0]=3 152 B10R1.4 CCOC1=C(Cl)C=CC=C1 HL0191 [0,1,0,0,0,0|2,0,0]=3 153 B10R1.4 CCOC1=C(F)C=CC=C1 LT6548 [0,1,0,0,0,0|2,0,0]=3 154 B10R1.4 CCOC1=C(O)C=CC=C1 LQ0245 [0,1,0,0,0,0|2,0,0]=3 155 B10R1.4 CCOC1=CC=CN=C1Br YH94023 [0,1,0,0,0,0|3,0,0]=4 156 B10R1.4 CCOC1=CC=CN=C1N YH20158 [0,1,0,0,0,0|3,0,0]=4 157 B10R1.4 CCOC1=NC=CC=C1I LT3940 [0,1,0,0,0,0|3,0,0]=4 158 B10R1.4 N#CCC1=C(Br)C=CC=C1 XJ4518 [0,1,0,0,0,0|1,0,1]=3 159 B10R1.4 N#CCC1=C(F)C=CC=C1 HL1631 [0,1,0,0,0,0|1,0,1]=3 160 B10R1.4 N#CCC1=C(I)C=CC=C1 LQ5028 [0,1,0,0,0,0|1,0,1]=3 161 B10R1.4 N#CCC1=CC=CC=C1Br LT2296 [0,1,0,0,0,0|1,0,1]=3 162 B10R1.4 N#CCC1=CC=CC=C1N RT1593 [0,1,0,0,0,0|1,0,1]=3 163 B10R1.4 NC1=CC=CC=C1CCO YH05747 [0,1,0,0,0,0|0,1,0]=2 164 B10R1.4 NCCC1=CC=CC=C1Br XJ6027 [0,1,0,0,0,0|1,0,0]=2 165 B10R1.4 NCCC1=CC=CC=C1O RT6527 [0,1,0,0,0,0|1,0,0]=2 166 B10R1.4 NCCN1C=CC=CC1=O YH56675 [0,1,0,0,0,0|2,0,0]=3 167 B10R1.4 N\N=C\C1=CC=CC=C1O XJ2447 [0,1,0,0,0,0|2,0,1]=4 168 B10R1.4 O=C=NC1=C(Cl)C=CC=C1 XJ2468 [0,1,0,0,0,0|1,1,1]=4 169 B10R1.4 O=C=NC1=C(F)C=CC=C1 LQ3980 [0,1,0,0,0,0|1,1,1]=4 170 B10R1.4 O=CCC1=C(Cl)C=CC=C1 LQ2618 [0,1,0,0,0,0|0,1,1]=3 171 B10R1.4 O=CCC1=CC=CC=C1F XJ6347 [0,1,0,0,0,0|0,1,1]=3 172 B10R1.4 OCCC1=CC=CC=C1Br JZ4362 [0,1,0,0,0,0|0,1,0]=2 173 B10R1.4 ONCC1=CC=CC=C1Cl JZ2761 [0,1,0,0,0,0|1,1,0]=3 174 B10R1.4 O\N=C/C1=C(O)C=CC=C1 JZ1751 [0,1,0,0,0,0|1,1,1]=4 175 B10R1.4 O\N=C\C1=C(Cl)C=CC=C1 JZ1723 [0,1,0,0,0,0|1,1,1]=4 176 B10R1.4 O\N=C\C1=CC=CC=C1Cl HL2579 [0,1,0,0,0,0|1,1,1]=4 177 B10R1.4 S=C=NC1=CC=CC=C1Cl XJ2293 [0,1,0,0,0,0|1,0,2]=4 178 B10R1.10 CC1=CC(NC=O)=CC=C1 HL2478 [0,1,0,0,0,0|1,1,1]=4 179 B10R1.10 CC1=CC=CC(CC#N)=C1 LT2624 [0,1,0,0,0,0|1,0,1]=3 180 B10R1.10 CC1=CC=CC(CCO)=N1 CJ3011 [0,1,0,0,0,0|1,1,0]=3 181 B10R1.10 CCCC1=CC(N)=CC=C1 YH65505 [0,1,0,0,0,0|1,0,0]=2 182 B10R1.10 CCCC1=CC(N)=NC=C1 HL4171 [0,1,0,0,0,0|2,0,0]=3 183 B10R1.10 CCOC1=CC(Br)=CC=C1 XJ2220 [0,1,0,0,0,0|2,0,0]=3 184 B10R1.10 CCOC1=CC(Br)=CN=C1 YH39559 [0,1,0,0,0,0|3,0,0]=4 185 B10R1.10 CCOC1=CC(F)=CC=C1 HL1827 [0,1,0,0,0,0|2,0,0]=3 186 B10R1.10 CCOC1=CC(F)=NC=C1 LX3150 [0,1,0,0,0,0|3,0,0]=4 187 B10R1.10 CCOC1=CC=CC(O)=C1 JZ3968 [0,1,0,0,0,0|2,0,0]=3 188 B10R1.10 CCOC1=CC=NC(N)=C1 XJ5598 [0,1,0,0,0,0|3,0,0]=4 189 B10R1.10 CCOC1=CN=CC(N)=C1 LX2438 [0,1,0,0,0,0|3,0,0]=4 190 B10R1.10 CNCC1=CC(Br)=CC=C1 HL4336 [0,1,0,0,0,0|2,0,0]=3 191 B10R1.10 FC1=CC=CC(N=C=S)=C1 LQ0800 [0,1,0,0,0,0|1,0,2]=4 192 B10R1.10 N#CCC1=CC(I)=CC=C1 HL3403 [0,1,0,0,0,0|1,0,1]=3 193 B10R1.10 N#CCC1=CC=CC(Br)=C1 LT6740 [0,1,0,0,0,0|1,0,1]=3 194 B10R1.10 N#CCC1=CC=CC(Cl)=C1 LT2337 [0,1,0,0,0,0|1,0,1]=3 195 B10R1.10 N#CCC1=CC=CC(F)=C1 LQ3386 [0,1,0,0,0,0|1,0,1]=3 196 B10R1.10 N#CNC1=CC=CC(Cl)=C1 RT3220 [0,1,0,0,0,0|2,0,1]=4 197 B10R1.10 NC1=CC(CCO)=CC=C1 XJ5592 [0,1,0,0,0,0|0,1,0]=2 198 B10R1.10 NCCC1=CC(F)=CC=C1 YH59765 [0,1,0,0,0,0|1,0,0]=2 199 B10R1.10 NCCC1=CC=CC(Br)=C1 YH08740 [0,1,0,0,0,0|1,0,0]=2 200 B10R1.10 NCCC1=CC=CC(O)=C1 YH55865 [0,1,0,0,0,0|1,0,0]=2 201 B10R1.10 O=C=NC1=CC(Br)=CC=C1 LQ4373 [0,1,0,0,0,0|1,1,1]=4 202 B10R1.10 O=C=NC1=CC(F)=CC=C1 LQ0799 [0,1,0,0,0,0|1,1,1]=4 203 B10R1.10 O=C=NC1=CC(I)=CC=C1 LQ4374 [0,1,0,0,0,0|1,1,1]=4 204 B10R1.10 O=C=NC1=CC=CC(Cl)=C1 LT2914 [0,1,0,0,0,0|1,1,1]=4 205 B10R1.10 O=CCC1=CC(F)=CC=C1 YH17193 [0,1,0,0,0,0|0,1,1]=3 206 B10R1.10 OCCC1=CC(Br)=CC=C1 YH51734 [0,1,0,0,0,0|0,1,0]=2 207 B10R1.10 OCCC1=CC=CC(O)=C1 YH66577 [0,1,0,0,0,0|0,1,0]=2 208 B10R1.10 OCCC1=NC=CC(Cl)=C1 RT9226 [0,1,0,0,0,0|1,1,0]=3 209 B10R1.10 S=C=NC1=CC=CC(I)=C1 LQ2398 [0,1,0,0,0,0|1,0,2]=4 210 B10R1.15 BrCC(Br)C1=CC=CC=C1 HL1223 [0,1,0,0,0,0|1,0,0]=2 211 B10R1.15 C#CC(O)C1=CC=CC=C1 HL2705 [0,1,0,0,0,0|1,0,1]=3 212 B10R1.15 C1=CC=C(C(=O)OC)C=C1 LQ3514 [0,1,0,0,0,0|2,0,1]=4 213 B10R1.15 C1=CC=C(N([O-])N=O)C=C1 LT7153 [0,1,0,0,0,0|2,1,0]=4 214 B10R1.15 CC(C=O)C1=CC=CC=C1 HL1224 [0,1,0,0,0,0|0,1,1]=3 215 B10R1.15 CC(CBr)C1=CC=CC=C1 HL0832 [0,1,0,0,0,0|1,0,0]=2 216 B10R1.15 CCC(=O)C1=CC=CN=C1 JZ4667 [0,1,0,0,0,0|2,0,1]=4 217 B10R1.15 CCC(C)C1=CC=CC=C1 LL0562 [0,1,0,0,0,0|1,0,0]=2 218 B10R1.15 CCC(C)C1=NC=CN=C1 JZ1742 [0,1,0,0,0,0|3,0,0]=4 219 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 HL2472 [0,1,0,0,0,0|1,0,0]=2 220 B10R1.15 CN(C=O)C1=CC=CC=C1 JZ0143 [0,1,0,0,0,0|1,1,1]=4 221 B10R1.15 CNC(=O)C1=CC=CC=C1 HL0175 [0,1,0,0,0,0|2,0,1]=4 222 B10R1.15 N#CC(O)C1=CC=CC=C1 LL0935 [0,1,0,0,0,0|1,0,1]=3 223 B10R1.15 NCC(=O)C1=CC=CC=C1 LT5895 [0,1,0,0,0,0|1,0,1]=3 224 B10R1.15 NCC(=O)C1=CC=CN=C1 RT4369 [0,1,0,0,0,0|2,0,1]=4 225 B10R1.15 NNC(=O)C1=CC=CC=C1 LT4155 [0,1,0,0,0,0|2,0,1]=4 226 B10R1.15 N\C(=N/O)C1=CC=CC=C1 HL0174 [0,1,0,0,0,0|1,1,1]=4 227 B10R1.15 O=C(CBr)C1=CC=CC=C1 RT11120 [0,1,0,0,0,0|1,0,1]=3 228 B10R1.15 O=C(CBr)C1=CC=CC=C1 YH43692 [0,1,0,0,0,0|1,0,1]=3 229 B10R1.15 O=C(CBr)C1=CC=NC=C1 XJ2872 [0,1,0,0,0,0|2,0,1]=4 230 B10R1.15 O=C(CBr)C1=NC=CC=C1 LQ4012 [0,1,0,0,0,0|2,0,1]=4 231 B10R1.15 O=C(CCl)C1=CC=CC=C1 LT3832 [0,1,0,0,0,0|1,0,1]=3 232 B10R1.15 O=C(NO)C1=CC=CC=C1 LT6975 [0,1,0,0,0,0|1,1,1]=4 233 B10R1.15 OC(CCl)C1=CC=CC=C1 LQ1871 [0,1,0,0,0,0|1,0,0]=2 234 B10R1.15 OC[C@@H](O)C1=CC=CC=C1 LT6111 [0,1,0,0,0,0|0,1,0]=2 235 B10R1.15 OC[C@H](O)C1=CC=CC=C1 LT6110 [0,1,0,0,0,0|0,1,0]=2 236 B10R1.15 [C@H](N)(CO)C1=CC=CC=C1 RT1705 [0,1,0,0,0,0|0,1,0]=2 237 B10R1.17 BrCCCC1=CC=CN=C1 RT14570 [0,1,0,0,0,0|2,0,0]=3 238 B10R1.17 BrCCOC1=CC=CC=C1 HL0054 [0,1,0,0,0,0|1,0,0]=2 239 B10R1.17 BrC\C=C\C1=CC=CC=C1 LT4566 [0,1,0,0,0,0|1,0,1]=3 240 B10R1.17 C(=O)CCC1=CC=CC=C1 LL0373 [0,1,0,0,0,0|0,1,0]=2 241 B10R1.17 C(=O)OCC1=CC=CC=C1 LL0376 [0,1,0,0,0,0|0,1,1]=3 242 B10R1.17 C=CCCC1=CC=CC=C1 YH17996 [0,1,0,0,0,0|1,0,0]=2 243 B10R1.17 CCC#CC1=CC=CC=C1 JZ4010 [0,1,0,0,0,0|1,0,1]=3 244 B10R1.17 CCCCC1=CC=CN=C1 XJ0908 [0,1,0,0,0,0|2,0,0]=3 245 B10R1.17 CCCCC1=NC=CC=C1 HL2877 [0,1,0,0,0,0|2,0,0]=3 246 B10R1.17 CCCC[N+]1=CC=CC=C1 HL0679 [0,1,0,0,0,0|2,0,0]=3 247 B10R1.17 CCCNC1=CC=CC=C1 XJ1126 [0,1,0,0,0,0|1,0,0]=2 248 B10R1.17 CCCOC1=CC=CC=C1 XJ1127 [0,1,0,0,0,0|1,0,0]=2 249 B10R1.17 CCNCC1=CC=CN=C1 XJ2344 [0,1,0,0,0,0|2,0,0]=3 250 B10R1.17 CCNCC1=CC=NC=C1 YH55114 [0,1,0,0,0,0|2,0,0]=3 251 B10R1.17 CNCCC1=CC=NC=C1 YH66483 [0,1,0,0,0,0|2,0,0]=3 252 B10R1.17 CNCCC1=NC=CC=C1 RT4594 [0,1,0,0,0,0|2,0,0]=3 253 B10R1.17 CNCCC1=NC=CC=C1 RT4605 [0,1,0,0,0,0|2,0,0]=3 254 B10R1.17 COCCC1=NC=CC=C1 LT3761 [0,1,0,0,0,0|1,1,0]=3 255 B10R1.17 ClCCCC1=CC=CC=C1 LL0372 [0,1,0,0,0,0|1,0,0]=2 256 B10R1.17 ClCOCC1=CC=CC=C1 JZ2365 [0,1,0,0,0,0|1,0,0]=2 257 B10R1.17 ClCSCC1=CC=CC=C1 JZ2415 [0,1,0,0,0,0|1,0,0]=2 258 B10R1.17 N#CCNC1=CC=CC=C1 XJ2362 [0,1,0,0,0,0|1,0,1]=3 259 B10R1.17 N#CCOC1=CC=CC=C1 JZ2377 [0,1,0,0,0,0|1,0,1]=3 260 B10R1.17 N#C\C=C\C1=CC=CC=C1 JZ2494 [0,1,0,0,0,0|1,0,2]=4 261 B10R1.17 NCC#CC1=CC=CC=C1 YH18704 [0,1,0,0,0,0|1,0,1]=3 262 B10R1.17 NCCNC1=NC=CC=C1 RT11017 [0,1,0,0,0,0|2,0,0]=3 263 B10R1.17 O=C=NCC1=CC=CC=C1 LT4166 [0,1,0,0,0,0|0,1,1]=3 264 B10R1.17 O=CC#CC1=CC=CC=C1 LQ2262 [0,1,0,0,0,0|0,1,2]=4 265 B10R1.17 O=CNCC1=CC=CC=C1 JZ2897 [0,1,0,0,0,0|0,1,1]=3 266 B10R1.17 O=C\C=C\C1=CC=CC=C1 LT4560 [0,1,0,0,0,0|0,1,2]=4 267 B10R1.17 OCC#CC1=CC=CC=C1 LQ1789 [0,1,0,0,0,0|0,1,1]=3 268 B10R1.17 OCCCC1=CC=NC=C1 LT3397 [0,1,0,0,0,0|1,1,0]=3 269 B10R1.17 OCCCC1=CN=CC=C1 LQ2303 [0,1,0,0,0,0|1,1,0]=3 270 B10R1.17 OCCCC1=NC=CC=C1 LT1600 [0,1,0,0,0,0|1,1,0]=3 271 B10R1.17 OCCNC1=CC=CC=C1 XJ0488 [0,1,0,0,0,0|0,1,0]=2 272 B10R1.17 OCCOC1=CC=CC=C1 XJ0489 [0,1,0,0,0,0|0,1,0]=2 273 B10R1.17 OC\C=C\C1=CC=CN=C1 RT7938 [0,1,0,0,0,0|1,1,1]=4 274 B10R1.17 [N-]=[N+]=NCC1=CC=CC=C1 JZ4012 [0,1,0,0,0,0|2,0,0]=3 275 B10R1.18 BrC(Br)=CC1=CC=CC=C1 YH16676 [0,1,0,0,0,0|1,0,2]=4 276 B10R1.18 CC(=O)CC1=CC=CC=C1 YH22297 [0,1,0,0,0,0|0,1,1]=3 277 B10R1.18 CC(=O)CC1=CC=NC=C1 LQ3035 [0,1,0,0,0,0|1,1,1]=4 278 B10R1.18 CC(=S)NC1=CC=CC=C1 JZ4043 [0,1,0,0,0,0|1,0,2]=4 279 B10R1.18 CC(C)CC1=CC=CN=C1 LT3805 [0,1,0,0,0,0|2,0,0]=3 280 B10R1.18 CC(C)CC1=NC=CN=C1 JZ1743 [0,1,0,0,0,0|3,0,0]=4 281 B10R1.18 CC(C)NC1=CC=CC=C1 HL0393 [0,1,0,0,0,0|2,0,0]=3 282 B10R1.18 CN(C)CC1=CC=CC=C1 YH22302 [0,1,0,0,0,0|2,0,0]=3 283 B10R1.18 CS(=O)CC1=CC=CC=C1 RT13178 [0,1,0,0,0,0|1,1,0]=3 284 B10R1.18 C[C@@H](N)CC1=CC=CC=C1 YH66589 [0,1,0,0,0,0|1,0,0]=2 285 B10R1.18 C[C@@H](O)CC1=CC=CC=C1 RT11145 [0,1,0,0,0,0|0,1,0]=2 286 B10R1.18 FC(F)OC1=CC=CC=C1 HL1835 [0,1,0,0,0,0|2,0,0]=3 287 B10R1.18 N=C(N)NC1=CC=CC=C1 LQ3733 [0,1,0,0,0,0|2,0,1]=4 288 B10R1.18 N=C(N)NC1=CC=CC=C1 YH65018 [0,1,0,0,0,0|2,0,1]=4 289 B10R1.18 NC(=O)CC1=CC=CC=C1 LL0344 [0,1,0,0,0,0|0,1,1]=3 290 B10R1.18 NC(=O)CC1=CC=CN=C1 HL2586 [0,1,0,0,0,0|1,1,1]=4 291 B10R1.18 NC(=O)NC1=CC=CC=C1 XJ0031 [0,1,0,0,0,0|1,1,1]=4 292 B10R1.18 NC(=O)OC1=CC=CC=C1 JZ4003 [0,1,0,0,0,0|1,1,1]=4 293 B10R1.18 NC(=S)CC1=CC=CC=C1 XJ1206 [0,1,0,0,0,0|0,0,2]=3 294 B10R1.18 O=C(Cl)CC1=CC=CC=C1 LL0343 [0,1,0,0,0,0|0,1,1]=3 295 B10R1.18 O=C(Cl)OC1=CC=CC=C1 LQ1974 [0,1,0,0,0,0|1,1,1]=4 296 B10R1.18 O=C(O)CC1=CC=CC=C1 LL0345 [0,1,0,0,0,0|0,1,1]=3 297 B10R1.18 O=C(O)CC1=CC=CN=C1 LT2642 [0,1,0,0,0,0|1,1,1]=4 298 B10R1.18 O=C(O)CC1=CC=CN=C1 XJ0855 [0,1,0,0,0,0|1,1,1]=4 299 B10R1.18 O=C(O)CC1=CC=NC=C1 JZ0762 [0,1,0,0,0,0|1,1,1]=4 300 B10R1.18 O=C(O)CC1=CC=NC=C1 LT3467 [0,1,0,0,0,0|1,1,1]=4 301 B10R1.18 O=C(O)CC1=NC=CC=C1 JZ0740 [0,1,0,0,0,0|1,1,1]=4 302 B10R1.18 O=C(O)CC1=NC=CC=C1 YH65464 [0,1,0,0,0,0|1,1,1]=4 303 B10R1.18 S=C(Cl)CC1=CC=NC=C1 LT3199 [0,1,0,0,0,0|1,0,2]=4 304 B10R1.18 S=C(Cl)OC1=CC=CC=C1 HL0590 [0,1,0,0,0,0|1,0,2]=4 305 B8R0.4 CCC\C=C\C=C\C=O LT5073 [0,0,1,0,0,0|2,0,0]=3 306 B10R2.6 C1=CC=C(C2CN2)C=C1 RT8683 [0,0,0,1,0,0|1,0,0]=2 307 B10R2.6 C1=CC=C(C2CO2)C=C1 XJ4585 [0,0,0,1,0,0|0,1,0]=2 308 B10R2.6 C1=CC=C([C@H]2CO2)C=C1 XJ4586 [0,0,0,1,0,0|0,1,0]=2 309 B10R2.7 B1OC2=C(C=CC=C2)O1 LL0610 [0,0,0,1,0,0|2,1,0]=4 310 B10R2.7 C1=CC2=C(C=C1)CNC2 LL0906 [0,0,0,1,0,0|2,0,0]=3 311 B10R2.7 C1=CC2=C(C=C1)CNC2 LX2633 [0,0,0,1,0,0|2,0,0]=3 312 B10R2.7 C1=CC2=C(C=C1)NC=C2 SY0038 [0,0,0,1,0,0|1,0,2]=4 313 B10R2.7 C1=CC2=C(C=C1)NN=N2 LQ0258 [0,0,0,1,0,0|3,0,0]=4 314 B10R2.7 C1=CC2=C(C=C1)SC=C2 LT0724 [0,0,0,1,0,0|0,0,2]=3 315 B10R2.7 C1=CC2=C(CNC2)N=C1 YH35533 [0,0,0,1,0,0|3,0,0]=4 316 B10R2.7 C1=CC2=CN=CC=C2S1 RT10481 [0,0,0,1,0,0|1,0,2]=4 317 B10R2.7 C1=CC2=NCCN2C=C1 RT2480 [0,0,0,1,0,0|2,0,0]=3 318 B10R2.7 C1=CC2=N[N-]N=C2C=C1 LL2265 [0,0,0,1,0,0|3,0,0]=4 319 B10R2.7 C1=CC=C2CC=CC2=C1 LQ0257 [0,0,0,1,0,0|1,0,1]=3 320 B10R2.7 C1=CC=C2NCCC2=C1 JZ1571 [0,0,0,1,0,0|1,0,0]=2 321 B10R2.7 C1=CC=C2NN=CC2=C1 LT1127 [0,0,0,1,0,0|2,0,1]=4 322 B10R2.7 C1=CC=C2OC=NC2=C1 LL0609 [0,0,0,1,0,0|1,1,1]=4 323 B10R2.7 C1=CC=C2OCCC2=C1 YH03385 [0,0,0,1,0,0|0,1,0]=2 324 B10R2.7 C1=CC=C2SC=CC2=C1 JZ3503 [0,0,0,1,0,0|0,0,2]=3 325 B10R2.7 C1=CN=C2CCCC2=C1 SY0245 [0,0,0,1,0,0|2,0,0]=3 326 B10R2.7 C1=CN=C2CCCC2=C1 XJ1002 [0,0,0,1,0,0|2,0,0]=3 327 B10R2.7 C1=CN=C2CNCC2=C1 YH35531 [0,0,0,1,0,0|3,0,0]=4 328 B10R2.7 C1=CN=C2CNCC2=C1 YH44941 [0,0,0,1,0,0|3,0,0]=4 329 B10R2.7 C1=NC=C2CNCC2=C1 YH03382 [0,0,0,1,0,0|3,0,0]=4 330 B10R2.320 O=C1CC2=CC=CC=C12 YH55957 [0,0,0,1,0,0|0,1,1]=3 331 B8R1.8 CSCC1=CC=CO1 LT5048 [0,0,0,0,1,0|3,0,0]=4 332 B8R1.8 ClCCC1=CNC=N1 YH65151 [0,0,0,0,1,0|3,0,0]=4 333 B8R1.8 N#CCC1=CC=CS1 LT2195 [0,0,0,0,1,0|2,0,1]=4 334 B8R1.8 N#CCC1=CSC=C1 LT0742 [0,0,0,0,1,0|2,0,1]=4 335 B8R1.8 NCCC1=CC=NN1 RT1410 [0,0,0,0,1,0|3,0,0]=4 336 B8R1.8 NCCC1=CNC=N1 HL1018 [0,0,0,0,1,0|3,0,0]=4 337 B8R1.8 NCCC1=CNC=N1 LQ0056 [0,0,0,0,1,0|3,0,0]=4 338 B8R1.8 NCCN1C=CN=C1 XJ2978 [0,0,0,0,1,0|3,0,0]=4 339 B8R1.8 OCCC1=CC=CS1 LT0210 [0,0,0,0,1,0|1,1,0]=3 340 B8R1.8 OCCC1=CNC=N1 XJ1421 [0,0,0,0,1,0|2,1,0]=4 341 B7R0.1 CC\C=C\C=C\C=O LQ2607 [1,0,1,0,0,0|1,0,0]=3 342 B7R0.1 CC\C=C\C=C\CO RT14062 [1,0,1,0,0,0|1,0,1]=4 343 B7R1.3 BrC1=CC=NC=C1 RT15209 [2,0,0,0,0,0|2,0,0]=4 344 B7R1.3 BrC1=CN=CC=C1 LT6741 [2,0,0,0,0,0|2,0,0]=4 345 B7R1.3 BrC1=NC=CC=C1 LT3801 [2,0,0,0,0,0|2,0,0]=4 346 B7R1.3 BrC1=[15N]C=CC=C1 RT8856 [2,0,0,0,0,0|2,0,0]=4 347 B7R1.3 CC1=CC=NC=C1 RT15144 [2,0,0,0,0,0|1,0,0]=3 348 B7R1.3 CC1=CCC=CC1 LQ2664 [2,0,0,0,0,0|0,0,2]=4 349 B7R1.3 CC1=CN=CC=C1 JZ1098 [2,0,0,0,0,0|1,0,0]=3 350 B7R1.3 CC1=CN=CN=C1 XJ2026 [2,0,0,0,0,0|2,0,0]=4 351 B7R1.3 CC1=NC=CC=C1 JZ2441 [2,0,0,0,0,0|1,0,0]=3 352 B7R1.3 CC1=NC=CC=C1 JZ4543 [2,0,0,0,0,0|1,0,0]=3 353 B7R1.3 ClC1=CC=CN=C1 LT6769 [2,0,0,0,0,0|2,0,0]=4 354 B7R1.3 ClC1=CC=NC=C1 LT2787 [2,0,0,0,0,0|2,0,0]=4 355 B7R1.3 ClC1=CC=NC=C1 YH10789 [2,0,0,0,0,0|2,0,0]=4 356 B7R1.3 ClC1=NC=CC=C1 JZ1022 [2,0,0,0,0,0|2,0,0]=4 357 B7R1.3 Cl[13C]1=[13CH][13CH]=[13CH][13CH]=[13CH]1 RT11347 [2,0,0,0,0,0|1,0,0]=3 358 B7R1.3 FC1=CC=CC=N1 LT6551 [2,0,0,0,0,0|2,0,0]=4 359 B7R1.3 FC1=CC=NC=C1 LQ1346 [2,0,0,0,0,0|2,0,0]=4 360 B7R1.3 FC1=CC=NC=C1 LX2788 [2,0,0,0,0,0|2,0,0]=4 361 B7R1.3 FC1=CN=CC=C1 LT2946 [2,0,0,0,0,0|2,0,0]=4 362 B7R1.3 IC1=CC=CC=C1 HL0102 [2,0,0,0,0,0|1,0,0]=3 363 B7R1.3 IC1=CC=CC=N1 HL2853 [2,0,0,0,0,0|2,0,0]=4 364 B7R1.3 IC1=CC=CN=C1 XJ1614 [2,0,0,0,0,0|2,0,0]=4 365 B7R1.3 IC1=CC=NC=C1 YH37425 [2,0,0,0,0,0|2,0,0]=4 366 B7R1.3 NC1=CC=CC=C1 XJ0949 [2,0,0,0,0,0|1,0,0]=3 367 B7R1.3 NC1=CC=CN=C1 LT6719 [2,0,0,0,0,0|2,0,0]=4 368 B7R1.3 NC1=CC=NC=C1 CJ2909 [2,0,0,0,0,0|2,0,0]=4 369 B7R1.3 NC1=NC=CC=C1 LT1809 [2,0,0,0,0,0|2,0,0]=4 370 B7R1.3 OC1=CC=CC=C1 HL1861 [2,0,0,0,0,0|0,1,0]=3 371 B7R1.3 OC1=CC=CN=C1 LT6810 [2,0,0,0,0,0|1,1,0]=4 372 B7R1.3 OC1=CC=NC=C1 JZ0797 [2,0,0,0,0,0|1,1,0]=4 373 B7R1.3 OC1=NC=CC=C1 LT1595 [2,0,0,0,0,0|1,1,0]=4 374 B7R1.3 S=C1C=CC=CN1 JZ2104 [2,0,0,0,0,0|1,0,1]=4 375 B7R1.3 SC1=CC=CN=C1 YH37913 [2,0,0,0,0,0|1,0,0]=3 376 B7R1.3 SC1=CC=NC=C1 HL2794 [2,0,0,0,0,0|1,0,0]=3 377 B7R1.3 SC1=NC=CC=C1 LT1808 [2,0,0,0,0,0|1,0,0]=3 378 B7R1.3 SC1=NC=CC=N1 YH35007 [2,0,0,0,0,0|2,0,0]=4 379 B7R1.3 SC1=NC=CN=C1 LQ4963 [2,0,0,0,0,0|2,0,0]=4 380 B7R1.3 [15NH2]C1=NC=CC=C1 RT2238 [2,0,0,0,0,0|2,0,0]=4 381 B7R1.3 [Hg+]C1=CC=CC=C1 HL1275 [2,0,0,0,0,0|1,0,0]=3 382 B7R1.3 [Hg+]C1=CC=CC=C1 LQ0034 [2,0,0,0,0,0|1,0,0]=3 383 B7R1.3 [Li]C1=CC=CC=C1 HL0103 [2,0,0,0,0,0|1,0,0]=3 384 B7R1.3 [O-]C1=CC=CC=C1 LQ3910 [2,0,0,0,0,0|0,1,0]=3 385 B7R1.3 [O-][N+]1=CC=CC=C1 YH14354 [2,0,0,0,0,0|1,1,0]=4 386 B7R1.3 [SH2+]C1=CC=CC=C1 RT12088 [2,0,0,0,0,0|0,0,1]=3 387 B9R0.15 C=C\C=C(/CCC)C(=O)O RT16956 [0,1,1,0,0,0|2,0,0]=4 388 B9R1.1 BrCC1=CC=C(Br)C=C1 YH08714 [1,1,0,0,0,0|1,0,0]=3 389 B9R1.1 BrCC1=CC=C(I)C=C1 XJ4204 [1,1,0,0,0,0|1,0,0]=3 390 B9R1.1 C#CC1=CC=C(Br)C=C1 HL0382 [1,1,0,0,0,0|0,0,2]=4 391 B9R1.1 C#CC1=CC=C(C)C=C1 HL0383 [1,1,0,0,0,0|0,0,2]=4 392 B9R1.1 C#CC1=CC=C(Cl)C=C1 SY0319 [1,1,0,0,0,0|0,0,2]=4 393 B9R1.1 C#CC1=CC=C(F)C=C1 HL0384 [1,1,0,0,0,0|0,0,2]=4 394 B9R1.1 C#CC1=CC=C(N)C=C1 XJ4023 [1,1,0,0,0,0|0,0,2]=4 395 B9R1.1 C#CC1=CC=C(O)C=C1 YH65749 [1,1,0,0,0,0|0,0,2]=4 396 B9R1.1 C(=O)C1=CC=C(Br)C=C1 HL0659 [1,1,0,0,0,0|0,1,1]=4 397 B9R1.1 C(=O)C1=CC=C(Cl)C=C1 XJ0297 [1,1,0,0,0,0|0,1,1]=4 398 B9R1.1 C(=O)C1=CC=C(F)C=C1 RT10834 [1,1,0,0,0,0|0,1,1]=4 399 B9R1.1 C=CC1=CC=C(Br)C=C1 XJ2035 [1,1,0,0,0,0|0,0,2]=4 400 B9R1.1 C=CC1=CC=C(C)C=C1 XJ1131 [1,1,0,0,0,0|0,0,2]=4 401 B9R1.1 C=CC1=CC=C(Cl)C=C1 JZ4358 [1,1,0,0,0,0|0,0,2]=4 402 B9R1.1 C=CC1=CC=C(F)C=C1 LQ0811 [1,1,0,0,0,0|0,0,2]=4 403 B9R1.1 C=CC1=CC=C(N)C=C1 LQ1825 [1,1,0,0,0,0|0,0,2]=4 404 B9R1.1 CC1=CC=C(C#N)C=C1 XJ0295 [1,1,0,0,0,0|1,0,1]=4 405 B9R1.1 CC1=CC=C(C=O)C=C1 XJ0296 [1,1,0,0,0,0|0,1,1]=4 406 B9R1.1 CC1=CC=C(CBr)C=C1 XJ0291 [1,1,0,0,0,0|1,0,0]=3 407 B9R1.1 CC1=CC=C(CN)C=C1 XJ0294 [1,1,0,0,0,0|1,0,0]=3 408 B9R1.1 CC1=CC=C(CN)C=N1 RT4381 [1,1,0,0,0,0|2,0,0]=4 409 B9R1.1 CC1=CC=C(CO)C=C1 HL0057 [1,1,0,0,0,0|0,1,0]=3 410 B9R1.1 CC1=CC=C(NN)C=C1 JZ4047 [1,1,0,0,0,0|2,0,0]=4 411 B9R1.1 CC1=CC=C(NN)C=C1 XJ0909 [1,1,0,0,0,0|2,0,0]=4 412 B9R1.1 CC1=NC=C(CCl)C=C1 RT12579 [1,1,0,0,0,0|2,0,0]=4 413 B9R1.1 CCC1=CC=C(Br)C=C1 LT0068 [1,1,0,0,0,0|0,0,0]=2 414 B9R1.1 CCC1=CC=C(Cl)C=C1 XJ1132 [1,1,0,0,0,0|0,0,0]=2 415 B9R1.1 CCC1=CC=C(I)C=C1 JZ5676 [1,1,0,0,0,0|0,0,0]=2 416 B9R1.1 CCC1=CC=C(O)C=C1 LQ4557 [1,1,0,0,0,0|0,0,0]=2 417 B9R1.1 CCC1=CC=[N+]([O-])C=C1 RT11871 [1,1,0,0,0,0|1,0,0]=3 418 B9R1.1 CCC1=CN=C(C)C=C1 YH20573 [1,1,0,0,0,0|1,0,0]=3 419 B9R1.1 CCC1=CN=C(Cl)N=C1 LL1896 [1,1,0,0,0,0|2,0,0]=4 420 B9R1.1 CCC1=CNC(=O)C=C1 YH05768 [1,1,0,0,0,0|1,0,0]=3 421 B9R1.1 CNC1=CC=C(N)C=C1 LT5160 [1,1,0,0,0,0|1,0,0]=3 422 B9R1.1 CNC1=CC=C(O)C=C1 LT7433 [1,1,0,0,0,0|1,0,0]=3 423 B9R1.1 CNC1=NC=C(Cl)C=C1 RT2598 [1,1,0,0,0,0|2,0,0]=4 424 B9R1.1 COC1=CC=C(Br)C=C1 YH22845 [1,1,0,0,0,0|1,0,0]=3 425 B9R1.1 COC1=CC=C(Br)C=N1 LT3369 [1,1,0,0,0,0|2,0,0]=4 426 B9R1.1 COC1=CC=C(C)N=C1 LX2638 [1,1,0,0,0,0|2,0,0]=4 427 B9R1.1 COC1=CC=C(F)C=C1 RT11598 [1,1,0,0,0,0|1,0,0]=3 428 B9R1.1 COC1=CC=C(F)C=N1 YH04458 [1,1,0,0,0,0|2,0,0]=4 429 B9R1.1 COC1=CC=C(N)C=C1 YH22851 [1,1,0,0,0,0|1,0,0]=3 430 B9R1.1 COC1=CC=C(N)C=N1 LT3597 [1,1,0,0,0,0|2,0,0]=4 431 B9R1.1 COC1=CC=C(N)N=C1 XJ3542 [1,1,0,0,0,0|2,0,0]=4 432 B9R1.1 COC1=CC=C(O)C=C1 LQ0608 [1,1,0,0,0,0|1,0,0]=3 433 B9R1.1 COC1=CC=[N+]([O-])C=C1 RT6739 [1,1,0,0,0,0|2,0,0]=4 434 B9R1.1 COC1=CN=C(Cl)C=C1 HL3515 [1,1,0,0,0,0|2,0,0]=4 435 B9R1.1 COC1=NC=C(I)C=C1 YH32542 [1,1,0,0,0,0|2,0,0]=4 436 B9R1.1 COC1=NC=C(O)C=C1 YH04854 [1,1,0,0,0,0|2,0,0]=4 437 B9R1.1 CSC1=CC=C(C)C=C1 XJ1135 [1,1,0,0,0,0|1,0,0]=3 438 B9R1.1 CSC1=CC=C(F)C=C1 XJ0702 [1,1,0,0,0,0|1,0,0]=3 439 B9R1.1 CSC1=CN=C(N)C=C1 RT4644 [1,1,0,0,0,0|2,0,0]=4 440 B9R1.1 ClC1=CC=C(CBr)C=C1 XJ1130 [1,1,0,0,0,0|1,0,0]=3 441 B9R1.1 ClC1=CC=C([Mg]Br)C=C1 XJ1431 [1,1,0,0,0,0|2,0,0]=4 442 B9R1.1 ClC1=NC=C(CBr)C=C1 YH41777 [1,1,0,0,0,0|2,0,0]=4 443 B9R1.1 ClCC1=CC=C(Br)C=C1 HL0056 [1,1,0,0,0,0|1,0,0]=3 444 B9R1.1 ClCC1=CC=C(Cl)C=C1 XJ0293 [1,1,0,0,0,0|1,0,0]=3 445 B9R1.1 ClCC1=CN=C(Cl)C=C1 LT3696 [1,1,0,0,0,0|2,0,0]=4 446 B9R1.1 ClCC1=NC=C(Br)C=C1 YH66212 [1,1,0,0,0,0|2,0,0]=4 447 B9R1.1 FC1=CC=C(CBr)C=C1 RT11193 [1,1,0,0,0,0|1,0,0]=3 448 B9R1.1 FC1=CC=C(CCl)C=C1 LL0673 [1,1,0,0,0,0|1,0,0]=3 449 B9R1.1 FC1=CC=C(CS)C=C1 JZ5068 [1,1,0,0,0,0|0,0,0]=2 450 B9R1.1 FC1=CC=C([Mg]Br)C=C1 LL0674 [1,1,0,0,0,0|2,0,0]=4 451 B9R1.1 N#CC1=CC=C(Br)C=C1 LT6101 [1,1,0,0,0,0|1,0,1]=4 452 B9R1.1 N#CC1=CC=C(Br)C=C1 XJ1133 [1,1,0,0,0,0|1,0,1]=4 453 B9R1.1 N#CC1=CC=C(F)C=C1 LT3074 [1,1,0,0,0,0|1,0,1]=4 454 B9R1.1 N#CC1=CC=C(I)C=C1 HL2444 [1,1,0,0,0,0|1,0,1]=4 455 B9R1.1 N#CC1=CC=C(N)C=C1 RT3702 [1,1,0,0,0,0|1,0,1]=4 456 B9R1.1 N#CC1=CC=C(O)C=C1 LT2823 [1,1,0,0,0,0|1,0,1]=4 457 B9R1.1 N#[N+]C1=CC=C(F)C=C1 RT6271 [1,1,0,0,0,0|2,0,0]=4 458 B9R1.1 NC1=CC=C(C=O)C=C1 LQ1002 [1,1,0,0,0,0|0,1,1]=4 459 B9R1.1 NC1=CC=C(CO)C=N1 YH25373 [1,1,0,0,0,0|1,1,0]=4 460 B9R1.1 NC1=CC=C(CO)N=C1 YH91412 [1,1,0,0,0,0|1,1,0]=4 461 B9R1.1 NCC1=CC=C(Br)C=C1 YH59044 [1,1,0,0,0,0|1,0,0]=3 462 B9R1.1 NCC1=CC=C(Cl)C=C1 LT2948 [1,1,0,0,0,0|1,0,0]=3 463 B9R1.1 NCC1=CC=C(F)C=C1 RT1536 [1,1,0,0,0,0|1,0,0]=3 464 B9R1.1 NCC1=CC=C(I)C=C1 LT1523 [1,1,0,0,0,0|1,0,0]=3 465 B9R1.1 NCC1=CC=C(N)C=C1 JZ2534 [1,1,0,0,0,0|1,0,0]=3 466 B9R1.1 NCC1=CC=C(O)C=C1 LQ1367 [1,1,0,0,0,0|1,0,0]=3 467 B9R1.1 NCC1=CN=C(Cl)C=C1 HL4996 [1,1,0,0,0,0|2,0,0]=4 468 B9R1.1 NNC1=CC=C(Br)C=C1 HL0058 [1,1,0,0,0,0|2,0,0]=4 469 B9R1.1 NNC1=CC=C(Br)C=C1 XJ1129 [1,1,0,0,0,0|2,0,0]=4 470 B9R1.1 NNC1=CC=C(Cl)C=C1 JZ4359 [1,1,0,0,0,0|2,0,0]=4 471 B9R1.1 NNC1=CC=C(Cl)C=C1 JZ4360 [1,1,0,0,0,0|2,0,0]=4 472 B9R1.1 NNC1=CC=C(F)C=C1 LQ1485 [1,1,0,0,0,0|2,0,0]=4 473 B9R1.1 O=CC1=CC=C(I)C=C1 XJ4171 [1,1,0,0,0,0|0,1,1]=4 474 B9R1.1 O=CC1=CC=C(O)C=C1 RT12842 [1,1,0,0,0,0|0,1,1]=4 475 B9R1.1 O=CC1=CC=C(S)C=C1 RT11108 [1,1,0,0,0,0|0,1,1]=4 476 B9R1.1 O=NC1=CC=C(O)C=C1 RT11953 [1,1,0,0,0,0|1,1,0]=4 477 B9R1.1 OC1=CC=C(CBr)C=C1 CJ3032 [1,1,0,0,0,0|1,0,0]=3 478 B9R1.1 OCC1=CC=C(Br)C=C1 XJ1430 [1,1,0,0,0,0|0,1,0]=3 479 B9R1.1 OCC1=CC=C(Cl)C=C1 JZ0815 [1,1,0,0,0,0|0,1,0]=3 480 B9R1.1 OCC1=CC=C(Cl)N=C1 LT1692 [1,1,0,0,0,0|1,1,0]=4 481 B9R1.1 OCC1=CC=C(F)N=C1 YH59200 [1,1,0,0,0,0|1,1,0]=4 482 B9R1.1 OCC1=CC=C(I)C=C1 XJ4412 [1,1,0,0,0,0|0,1,0]=3 483 B9R1.1 OCC1=CC=C(O)C=C1 JZ0347 [1,1,0,0,0,0|0,1,0]=3 484 B9R1.1 OCC1=CN=C(O)C=C1 YH24285 [1,1,0,0,0,0|1,1,0]=4 485 B9R1.1 OCC1=NC=C(Br)C=C1 XJ6558 [1,1,0,0,0,0|1,1,0]=4 486 B9R1.1 ONC1=CC=C(Cl)C=C1 YH88188 [1,1,0,0,0,0|1,1,0]=4 487 B9R1.1 [C-]#[N+]C1=CC=C(Br)C=C1 LQ4762 [1,1,0,0,0,0|1,0,1]=4 488 B9R1.2 BrCC1=CC(Br)=CC=C1 LT6733 [1,1,0,0,0,0|1,0,0]=3 489 B9R1.2 BrCC1=NC(Br)=CC=C1 LL1506 [1,1,0,0,0,0|2,0,0]=4 490 B9R1.2 C#CC1=CC(Br)=CC=C1 SY0298 [1,1,0,0,0,0|0,0,2]=4 491 B9R1.2 C#CC1=CC(C)=CC=C1 XJ1365 [1,1,0,0,0,0|0,0,2]=4 492 B9R1.2 C#CC1=CC(F)=CC=C1 LQ2245 [1,1,0,0,0,0|0,0,2]=4 493 B9R1.2 C#CC1=CC=CC(Cl)=C1 XJ1366 [1,1,0,0,0,0|0,0,2]=4 494 B9R1.2 C#CC1=CC=CC(N)=C1 SY0248 [1,1,0,0,0,0|0,0,2]=4 495 B9R1.2 C=CC1=CC(Br)=CC=C1 LT6743 [1,1,0,0,0,0|0,0,2]=4 496 B9R1.2 C=CC1=CC(Cl)=CC=C1 XJ2036 [1,1,0,0,0,0|0,0,2]=4 497 B9R1.2 C=CC1=CC(F)=CC=C1 LT6798 [1,1,0,0,0,0|0,0,2]=4 498 B9R1.2 C=CC1=CC(O)=CC=C1 RT11655 [1,1,0,0,0,0|0,0,2]=4 499 B9R1.2 C=CC1=CC=CC(C)=C1 LQ4468 [1,1,0,0,0,0|0,0,2]=4 500 B9R1.2 CC1=CC(C#N)=CC=C1 LT7492 [1,1,0,0,0,0|1,0,1]=4 501 B9R1.2 CC1=CC(C=O)=CC=C1 JZ3952 [1,1,0,0,0,0|0,1,1]=4 502 B9R1.2 CC1=CC(CCl)=NC=C1 YH58257 [1,1,0,0,0,0|2,0,0]=4 503 B9R1.2 CC1=CC(CN)=CC=C1 LQ0295 [1,1,0,0,0,0|1,0,0]=3 504 B9R1.2 CC1=CC(CO)=NC=C1 YH01119 [1,1,0,0,0,0|1,1,0]=4 505 B9R1.2 CC1=CC(NN)=CC=C1 LL0975 [1,1,0,0,0,0|2,0,0]=4 506 B9R1.2 CC1=CC=CC(CO)=N1 HL0652 [1,1,0,0,0,0|1,1,0]=4 507 B9R1.2 CC1=NC=CC(CCl)=C1 RT9279 [1,1,0,0,0,0|2,0,0]=4 508 B9R1.2 CC1=NC=CC(CN)=C1 RT9263 [1,1,0,0,0,0|2,0,0]=4 509 B9R1.2 CCC1=CC(C)=CC=C1 JZ3949 [1,1,0,0,0,0|0,0,0]=2 510 B9R1.2 CCC1=CC(Cl)=NC=C1 LT3331 [1,1,0,0,0,0|1,0,0]=3 511 B9R1.2 CCC1=CC=CC(Br)=C1 XJ2282 [1,1,0,0,0,0|0,0,0]=2 512 B9R1.2 CCC1=CC=CC(N)=C1 XJ1048 [1,1,0,0,0,0|0,0,0]=2 513 B9R1.2 CCC1=CC=CC(O)=C1 YH10409 [1,1,0,0,0,0|0,0,0]=2 514 B9R1.2 CCC1=CC=NC(Br)=C1 LT3312 [1,1,0,0,0,0|1,0,0]=3 515 B9R1.2 CCC1=CC=NC(N)=C1 LT3293 [1,1,0,0,0,0|1,0,0]=3 516 B9R1.2 CNC1=CC=CC(C)=C1 LQ1364 [1,1,0,0,0,0|1,0,0]=3 517 B9R1.2 COC1=CC(Br)=CC=C1 JZ1081 [1,1,0,0,0,0|1,0,0]=3 518 B9R1.2 COC1=CC(Br)=CN=C1 LT3954 [1,1,0,0,0,0|2,0,0]=4 519 B9R1.2 COC1=CC(N)=CC=C1 RT2821 [1,1,0,0,0,0|1,0,0]=3 520 B9R1.2 COC1=CC(N)=NC=C1 XJ3562 [1,1,0,0,0,0|2,0,0]=4 521 B9R1.2 COC1=CC=CC(Br)=N1 LQ5038 [1,1,0,0,0,0|2,0,0]=4 522 B9R1.2 COC1=CC=CC(N)=N1 YH41174 [1,1,0,0,0,0|2,0,0]=4 523 B9R1.2 COC1=CC=CC(O)=C1 LQ0600 [1,1,0,0,0,0|1,0,0]=3 524 B9R1.2 COC1=CC=CC(O)=N1 YH47507 [1,1,0,0,0,0|2,0,0]=4 525 B9R1.2 COC1=CC=NC(Cl)=C1 XJ4369 [1,1,0,0,0,0|2,0,0]=4 526 B9R1.2 COC1=CN=CC(I)=C1 LT3416 [1,1,0,0,0,0|2,0,0]=4 527 B9R1.2 COC1=CN=CC(N)=C1 LL1064 [1,1,0,0,0,0|2,0,0]=4 528 B9R1.2 COC1=NC(C)=CC=C1 LT1773 [1,1,0,0,0,0|2,0,0]=4 529 B9R1.2 COC1=NC=CC(Br)=C1 XJ6753 [1,1,0,0,0,0|2,0,0]=4 530 B9R1.2 COC1=NC=CC(F)=C1 HL4973 [1,1,0,0,0,0|2,0,0]=4 531 B9R1.2 COC1=NC=CC(I)=C1 YH98675 [1,1,0,0,0,0|2,0,0]=4 532 B9R1.2 COC1=NC=CC(N)=C1 LQ4219 [1,1,0,0,0,0|2,0,0]=4 533 B9R1.2 CSC1=CC(Cl)=CC=C1 XJ2763 [1,1,0,0,0,0|1,0,0]=3 534 B9R1.2 CSC1=CC(Cl)=CC=C1 XJ4867 [1,1,0,0,0,0|1,0,0]=3 535 B9R1.2 CSC1=CC(I)=CC=C1 YH31373 [1,1,0,0,0,0|1,0,0]=3 536 B9R1.2 CSC1=CC=CC(F)=C1 XJ1274 [1,1,0,0,0,0|1,0,0]=3 537 B9R1.2 CSC1=CC=CC(N)=C1 LT2494 [1,1,0,0,0,0|1,0,0]=3 538 B9R1.2 FC1=CC=CC(CCl)=C1 HL1820 [1,1,0,0,0,0|1,0,0]=3 539 B9R1.2 N#CC1=CC(Br)=CC=C1 LT3005 [1,1,0,0,0,0|1,0,1]=4 540 B9R1.2 N#CC1=CC(Cl)=CC=C1 LT2928 [1,1,0,0,0,0|1,0,1]=4 541 B9R1.2 N#CC1=CC(I)=CC=C1 HL4359 [1,1,0,0,0,0|1,0,1]=4 542 B9R1.2 N#CC1=CC(O)=CC=C1 XJ1426 [1,1,0,0,0,0|1,0,1]=4 543 B9R1.2 N#CC1=CC=CC(N)=C1 LT6708 [1,1,0,0,0,0|1,0,1]=4 544 B9R1.2 NC1=CC(CO)=CC=N1 LT3191 [1,1,0,0,0,0|1,1,0]=4 545 B9R1.2 NC1=CN=CC(CO)=C1 YH01842 [1,1,0,0,0,0|1,1,0]=4 546 B9R1.2 NCC1=CC(Br)=CC=C1 XJ3599 [1,1,0,0,0,0|1,0,0]=3 547 B9R1.2 NCC1=CC(I)=CC=C1 LQ1363 [1,1,0,0,0,0|1,0,0]=3 548 B9R1.2 NCC1=CC(N)=CC=C1 LT2553 [1,1,0,0,0,0|1,0,0]=3 549 B9R1.2 NCC1=CC=CC(Cl)=C1 LT6763 [1,1,0,0,0,0|1,0,0]=3 550 B9R1.2 NNC1=CC=CC(Cl)=C1 HL2219 [1,1,0,0,0,0|2,0,0]=4 551 B9R1.2 NNC1=CC=CC(F)=C1 JZ2155 [1,1,0,0,0,0|2,0,0]=4 552 B9R1.2 O=CC1=CC(Cl)=CC=C1 XJ1050 [1,1,0,0,0,0|0,1,1]=4 553 B9R1.2 O=CC1=CC(F)=CC=C1 LT6791 [1,1,0,0,0,0|0,1,1]=4 554 B9R1.2 O=CC1=CC=CC(Br)=C1 LQ2404 [1,1,0,0,0,0|0,1,1]=4 555 B9R1.2 O=CC1=CC=CC(O)=C1 JZ0346 [1,1,0,0,0,0|0,1,1]=4 556 B9R1.2 OC1=CC=CC(CCl)=C1 LT2488 [1,1,0,0,0,0|1,0,0]=3 557 B9R1.2 OCC1=CC(Br)=CN=C1 CJ2881 [1,1,0,0,0,0|1,1,0]=4 558 B9R1.2 OCC1=CC(Br)=NC=C1 LT3320 [1,1,0,0,0,0|1,1,0]=4 559 B9R1.2 OCC1=CC(Cl)=CC=C1 XJ1427 [1,1,0,0,0,0|0,1,0]=3 560 B9R1.2 OCC1=CC(Cl)=NC=C1 YH20577 [1,1,0,0,0,0|1,1,0]=4 561 B9R1.2 OCC1=CC(F)=CC=C1 HL1821 [1,1,0,0,0,0|0,1,0]=3 562 B9R1.2 OCC1=CC(I)=CC=C1 XJ5829 [1,1,0,0,0,0|0,1,0]=3 563 B9R1.2 OCC1=CC=CC(Br)=C1 LT6732 [1,1,0,0,0,0|0,1,0]=3 564 B9R1.2 OCC1=NC(Br)=CC=C1 LQ4787 [1,1,0,0,0,0|1,1,0]=4 565 B9R1.2 OCC1=NC(Cl)=CC=C1 YH55308 [1,1,0,0,0,0|1,1,0]=4 566 B9R1.2 OCC1=NC=CC(Br)=C1 YH31728 [1,1,0,0,0,0|1,1,0]=4 567 B9R1.6 C=C(C)C1=CC=CC=C1 XJ0257 [1,1,0,0,0,0|0,0,1]=3 568 B9R1.6 CC(=O)C1=CC=CC=C1 RT11112 [1,1,0,0,0,0|0,0,1]=3 569 B9R1.6 CC(=O)C1=CC=NC=C1 HL0648 [1,1,0,0,0,0|1,0,1]=4 570 B9R1.6 CC(=O)C1=CN=CC=C1 LQ0733 [1,1,0,0,0,0|1,0,1]=4 571 B9R1.6 CC(Br)C1=CC=CC=C1 XJ1034 [1,1,0,0,0,0|0,0,0]=2 572 B9R1.6 CC(C)C1=NC=CN=C1 JZ1741 [1,1,0,0,0,0|2,0,0]=4 573 B9R1.6 CC(N)C1=CC=CC=C1 JZ0721 [1,1,0,0,0,0|0,0,0]=2 574 B9R1.6 CC(O)C1=CN=CN=C1 RT9947 [1,1,0,0,0,0|2,0,0]=4 575 B9R1.6 CN(C)C1=CC=NC=C1 LT3039 [1,1,0,0,0,0|2,0,0]=4 576 B9R1.6 CN(C)C1=NC=CC=C1 XJ2942 [1,1,0,0,0,0|2,0,0]=4 577 B9R1.6 CN(N)C1=CC=CC=C1 LQ1214 [1,1,0,0,0,0|1,0,0]=3 578 B9R1.6 CN(N)C1=CC=CC=C1 LX2044 [1,1,0,0,0,0|1,0,0]=3 579 B9R1.6 C[C@@H](N)C1=CC=CC=C1 RT1721 [1,1,0,0,0,0|0,0,0]=2 580 B9R1.6 C[C@@H](N)C1=NC=CC=C1 YH51514 [1,1,0,0,0,0|1,0,0]=3 581 B9R1.6 C[C@@H](O)C1=NC=CC=C1 YH51543 [1,1,0,0,0,0|1,0,0]=3 582 B9R1.6 C[C@H](N)C1=CC=CC=C1 RT1720 [1,1,0,0,0,0|0,0,0]=2 583 B9R1.6 C[Si](=O)C1=CC=CC=C1 XJ3509 [1,1,0,0,0,0|0,1,0]=3 584 B9R1.6 ClC(Cl)C1=CC=CC=C1 LT3671 [1,1,0,0,0,0|1,0,0]=3 585 B9R1.6 ClP(Cl)C1=CC=CC=C1 JZ4097 [1,1,0,0,0,0|2,0,0]=4 586 B9R1.6 Cl[IH2](Cl)C1=CC=CC=C1 YH96399 [1,1,0,0,0,0|2,0,0]=4 587 B9R1.6 N=C(N)C1=CC=CC=C1 LQ1861 [1,1,0,0,0,0|1,0,1]=4 588 B9R1.6 NC(=O)C1=CC=CC=C1 CJ3392 [1,1,0,0,0,0|0,1,1]=4 589 B9R1.6 NC(=O)C1=CC=CC=C1 LT4036 [1,1,0,0,0,0|0,1,1]=4 590 B9R1.6 NC(=S)C1=CC=CC=C1 XJ2085 [1,1,0,0,0,0|0,0,2]=4 591 B9R1.6 O=C(F)C1=CC=CC=C1 HL1804 [1,1,0,0,0,0|0,1,1]=4 592 B9R1.6 O=C([O-])C1=CC=CC=C1 HL0026 [1,1,0,0,0,0|0,1,1]=4 593 B9R1.6 O=C([O-])C1=CC=CC=C1 HL0027 [1,1,0,0,0,0|0,1,1]=4 594 B9R1.6 O=C([O-])C1=CC=CC=C1 JZ0044 [1,1,0,0,0,0|0,1,1]=4 595 B9R1.6 O=C([O-])C1=CC=CC=C1 JZ4278 [1,1,0,0,0,0|0,1,1]=4 596 B9R1.6 O=C([O-])C1=CC=CC=C1 LT4848 [1,1,0,0,0,0|0,1,1]=4 597 B9R1.6 O=C([O-])C1=CC=CC=C1 XJ0991 [1,1,0,0,0,0|0,1,1]=4 598 B9R1.6 O=S(O)C1=CC=CC=C1 LQ1215 [1,1,0,0,0,0|1,1,0]=4 599 B9R1.6 O=S([O-])C1=CC=CC=C1 LL1085 [1,1,0,0,0,0|1,1,0]=4 600 B9R1.6 O=[N+]([O-])C1=CC=CC=C1 XJ0263 [1,1,0,0,0,0|1,1,0]=4 601 B9R1.6 O=[P+]([O-])C1=CC=CC=C1 LQ2659 [1,1,0,0,0,0|1,1,0]=4 602 B9R1.6 OB(O)C1=CC=CC=C1 JZ0681 [1,1,0,0,0,0|1,1,0]=4 603 B9R1.6 [18O]=C([18OH])C1=CC=CC=C1 RT11444 [1,1,0,0,0,0|0,1,1]=4 604 B9R1.6 [SiH](Cl)(Cl)C1=CC=CC=C1 HL0912 [1,1,0,0,0,0|1,1,0]=4 605 B9R1.15 BrCC1=C(Br)C=CC=C1 LT0304 [1,1,0,0,0,0|1,0,0]=3 606 B9R1.15 BrCC1=C(I)C=CC=C1 LQ5027 [1,1,0,0,0,0|1,0,0]=3 607 B9R1.15 C#CC1=C(Br)C=CC=C1 SY0117 [1,1,0,0,0,0|0,0,2]=4 608 B9R1.15 C#CC1=C(Cl)C=CC=C1 XJ1422 [1,1,0,0,0,0|0,0,2]=4 609 B9R1.15 C#CC1=C(F)C=CC=C1 SY0296 [1,1,0,0,0,0|0,0,2]=4 610 B9R1.15 C#CC1=CC=CC=C1C SY0118 [1,1,0,0,0,0|0,0,2]=4 611 B9R1.15 C#CC1=CC=CC=C1N XJ5657 [1,1,0,0,0,0|0,0,2]=4 612 B9R1.15 C(=O)C1=C(Cl)C=CC=C1 XJ0153 [1,1,0,0,0,0|0,1,1]=4 613 B9R1.15 C(=O)C1=C(F)C=CC=C1 LT6545 [1,1,0,0,0,0|0,1,1]=4 614 B9R1.15 C=CC1=C(Br)C=CC=C1 XJ2039 [1,1,0,0,0,0|0,0,2]=4 615 B9R1.15 C=CC1=C(F)C=CC=C1 HL1763 [1,1,0,0,0,0|0,0,2]=4 616 B9R1.15 C=CC1=CC=CC=C1C XJ1115 [1,1,0,0,0,0|0,0,2]=4 617 B9R1.15 C=CC1=CC=CC=C1O RT11656 [1,1,0,0,0,0|0,0,2]=4 618 B9R1.15 CC1=C(C#N)C=CC=C1 LQ0969 [1,1,0,0,0,0|1,0,1]=4 619 B9R1.15 CC1=CC=CC=C1C=O LQ0970 [1,1,0,0,0,0|0,1,1]=4 620 B9R1.15 CC1=CC=CC=C1CN XJ0151 [1,1,0,0,0,0|1,0,0]=3 621 B9R1.15 CC1=CC=CN=C1CN LT3920 [1,1,0,0,0,0|2,0,0]=4 622 B9R1.15 CC1=NC=CC=C1CCl RT8738 [1,1,0,0,0,0|2,0,0]=4 623 B9R1.15 CCC1=C(Br)C=CC=C1 JZ1837 [1,1,0,0,0,0|0,0,0]=2 624 B9R1.15 CCC1=C(Br)C=NC=C1 LQ4988 [1,1,0,0,0,0|1,0,0]=3 625 B9R1.15 CCC1=C(C)C=CN=C1 LQ0971 [1,1,0,0,0,0|1,0,0]=3 626 B9R1.15 CCC1=C(F)C=NC=N1 YH33319 [1,1,0,0,0,0|2,0,0]=4 627 B9R1.15 CCC1=C(F)N=CC=C1 LT3213 [1,1,0,0,0,0|1,0,0]=3 628 B9R1.15 CCC1=CC=CC=C1F RT10529 [1,1,0,0,0,0|0,0,0]=2 629 B9R1.15 CCC1=CC=CC=C1I XJ4411 [1,1,0,0,0,0|0,0,0]=2 630 B9R1.15 CCC1=CC=CC=C1S LT1736 [1,1,0,0,0,0|0,0,0]=2 631 B9R1.15 CCC1=CC=CC=[N+]1[O-] LT3942 [1,1,0,0,0,0|1,0,0]=3 632 B9R1.15 CCC1=CC=CN=C1N RT2490 [1,1,0,0,0,0|1,0,0]=3 633 B9R1.15 CCC1=NC=CN=C1C JZ1026 [1,1,0,0,0,0|2,0,0]=4 634 B9R1.15 CCC1=NC=CN=C1Cl YH11312 [1,1,0,0,0,0|2,0,0]=4 635 B9R1.15 CC[N+]1=CC=CC=C1Br HL0484 [1,1,0,0,0,0|1,0,0]=3 636 B9R1.15 CNC1=C(F)C=CC=C1 RT3629 [1,1,0,0,0,0|1,0,0]=3 637 B9R1.15 CNC1=CC=CC=C1C XJ1117 [1,1,0,0,0,0|1,0,0]=3 638 B9R1.15 COC1=C(Br)C=CC=C1 LT0298 [1,1,0,0,0,0|1,0,0]=3 639 B9R1.15 COC1=C(F)C=CC=C1 LT6544 [1,1,0,0,0,0|1,0,0]=3 640 B9R1.15 COC1=C(I)C=CC=N1 XJ6838 [1,1,0,0,0,0|2,0,0]=4 641 B9R1.15 COC1=C(N)C=NC=C1 YH55284 [1,1,0,0,0,0|2,0,0]=4 642 B9R1.15 COC1=CC=CC=C1O LT7681 [1,1,0,0,0,0|1,0,0]=3 643 B9R1.15 COC1=CC=CN=C1Br XJ4798 [1,1,0,0,0,0|2,0,0]=4 644 B9R1.15 COC1=CC=CN=C1C YH50584 [1,1,0,0,0,0|2,0,0]=4 645 B9R1.15 COC1=CC=CN=C1Cl XJ5647 [1,1,0,0,0,0|2,0,0]=4 646 B9R1.15 COC1=CC=CN=C1N XJ3561 [1,1,0,0,0,0|2,0,0]=4 647 B9R1.15 COC1=CC=CNC1=O XJ4627 [1,1,0,0,0,0|2,0,0]=4 648 B9R1.15 COC1=NC=CC=C1N LQ4218 [1,1,0,0,0,0|2,0,0]=4 649 B9R1.15 CSC1=C(Cl)C=CC=C1 JZ5186 [1,1,0,0,0,0|1,0,0]=3 650 B9R1.15 CSC1=C(F)C=CC=C1 XJ1257 [1,1,0,0,0,0|1,0,0]=3 651 B9R1.15 CSC1=CC=CC=C1C JZ4854 [1,1,0,0,0,0|1,0,0]=3 652 B9R1.15 CSC1=CC=CC=C1I LQ4804 [1,1,0,0,0,0|1,0,0]=3 653 B9R1.15 CSC1=CC=CC=C1O JZ4356 [1,1,0,0,0,0|1,0,0]=3 654 B9R1.15 ClC1=CC=CC=C1CBr XJ1116 [1,1,0,0,0,0|1,0,0]=3 655 B9R1.15 ClCC1=CC=CC=C1Br JZ3842 [1,1,0,0,0,0|1,0,0]=3 656 B9R1.15 FC1=C(CBr)C=CC=C1 XJ0768 [1,1,0,0,0,0|1,0,0]=3 657 B9R1.15 FC1=CC=CC=C1CBr RT11192 [1,1,0,0,0,0|1,0,0]=3 658 B9R1.15 N#CC1=C(Br)C=CC=C1 LT0301 [1,1,0,0,0,0|1,0,1]=4 659 B9R1.15 N#CC1=C(Cl)C=CC=C1 CJ2994 [1,1,0,0,0,0|1,0,1]=4 660 B9R1.15 N#CC1=C(F)C=CC=C1 LT6546 [1,1,0,0,0,0|1,0,1]=4 661 B9R1.15 N#CC1=C(I)C=CC=C1 JZ2517 [1,1,0,0,0,0|1,0,1]=4 662 B9R1.15 N#CC1=C(N)C=CC=C1 RT1553 [1,1,0,0,0,0|1,0,1]=4 663 B9R1.15 N#CC1=C(O)C=CC=C1 YH09892 [1,1,0,0,0,0|1,0,1]=4 664 B9R1.15 NC1=C(CO)C=NC=C1 HL3458 [1,1,0,0,0,0|1,1,0]=4 665 B9R1.15 NC1=CC=CC=C1CO LT2291 [1,1,0,0,0,0|0,1,0]=3 666 B9R1.15 NC1=NC=CC=C1CO JZ5602 [1,1,0,0,0,0|1,1,0]=4 667 B9R1.15 NCC1=C(I)C=CC=C1 YH59249 [1,1,0,0,0,0|1,0,0]=3 668 B9R1.15 NCC1=C(N)C=CC=C1 YH52512 [1,1,0,0,0,0|1,0,0]=3 669 B9R1.15 NCC1=C(O)C=CC=C1 LQ1562 [1,1,0,0,0,0|1,0,0]=3 670 B9R1.15 NCC1=CC=CC=C1Br LT0305 [1,1,0,0,0,0|1,0,0]=3 671 B9R1.15 NCC1=CC=CC=C1Cl LT6512 [1,1,0,0,0,0|1,0,0]=3 672 B9R1.15 NCC1=CC=CN=C1Cl YH66504 [1,1,0,0,0,0|2,0,0]=4 673 B9R1.15 NCC1=CC=CNC1=O RT2213 [1,1,0,0,0,0|2,0,0]=4 674 B9R1.15 NNC1=C(F)C=CC=C1 JZ2154 [1,1,0,0,0,0|2,0,0]=4 675 B9R1.15 NNC1=CC=CC=C1Br XJ5550 [1,1,0,0,0,0|2,0,0]=4 676 B9R1.15 NNC1=CC=CC=C1F LT1512 [1,1,0,0,0,0|2,0,0]=4 677 B9R1.15 O=CC1=C(Br)C=CC=C1 LT0299 [1,1,0,0,0,0|0,1,1]=4 678 B9R1.15 OC1=CC=CN=C1CBr XJ6520 [1,1,0,0,0,0|2,0,0]=4 679 B9R1.15 OCC1=C(Cl)C=CC=C1 LT1480 [1,1,0,0,0,0|0,1,0]=3 680 B9R1.15 OCC1=C(Cl)C=CN=C1 HL3791 [1,1,0,0,0,0|1,1,0]=4 681 B9R1.15 OCC1=C(F)C=CC=C1 XJ0769 [1,1,0,0,0,0|0,1,0]=3 682 B9R1.15 OCC1=C(F)C=NC=C1 YH90998 [1,1,0,0,0,0|1,1,0]=4 683 B9R1.15 OCC1=C(F)N=CC=C1 LT3420 [1,1,0,0,0,0|1,1,0]=4 684 B9R1.15 OCC1=C(I)C=CC=C1 LQ2821 [1,1,0,0,0,0|0,1,0]=3 685 B9R1.15 OCC1=CC=CC=C1Br LQ4155 [1,1,0,0,0,0|0,1,0]=3 686 B9R1.15 OCC1=CC=NC=C1Cl YH65905 [1,1,0,0,0,0|1,1,0]=4 687 B9R1.15 OCC1=NC=CC=C1O YH34195 [1,1,0,0,0,0|1,1,0]=4 688 B9R1.15 SCC1=C(Cl)C=CC=C1 XJ5403 [1,1,0,0,0,0|0,0,0]=2 689 B9R1.15 [O-][N+]1=CC=CC=C1CO RT9217 [1,1,0,0,0,0|1,1,0]=4 690 B9R1.12 BrCCCN1C=CC=C1 YH20609 [0,1,0,0,1,0|2,0,0]=4 691 B9R1.12 CCCCC1=CSC=C1 CJ2145 [0,1,0,0,1,0|2,0,0]=4 692 B9R1.12 CSSCC1=CC=CO1 XJ5836 [0,1,0,0,1,0|2,0,0]=4 693 B9R1.12 N#CCCN1C=CC=C1 LQ5106 [0,1,0,0,1,0|2,0,0]=4 694 B11R1.1 C(=O)CCC1=CC=C(Cl)C=C1 YH17360 [0,2,0,0,0,0|0,1,0]=3 695 B11R1.1 C=CCOC1=CC=C(O)C=C1 YH11629 [0,2,0,0,0,0|1,0,1]=4 696 B11R1.1 CCCCC1=CC=C(Br)C=C1 LT1922 [0,2,0,0,0,0|1,0,0]=3 697 B11R1.1 CCCCC1=CC=C(Cl)C=C1 LQ3832 [0,2,0,0,0,0|1,0,0]=3 698 B11R1.1 CCCCC1=CC=C(I)C=C1 LT2407 [0,2,0,0,0,0|1,0,0]=3 699 B11R1.1 ClC1=CC=C(CCCBr)C=C1 CJ2951 [0,2,0,0,0,0|1,0,0]=3 700 B11R1.1 OC1=CC=C(CCCBr)C=C1 CJ2919 [0,2,0,0,0,0|1,0,0]=3 701 B11R1.1 OC1=CC=C(CCCCl)C=C1 CJ3017 [0,2,0,0,0,0|1,0,0]=3 702 B11R1.1 OC1=CC=C(CN=C=S)C=C1 RT13139 [0,2,0,0,0,0|0,0,2]=4 703 B11R1.1 OCCCC1=CC=C(Br)C=C1 XJ4838 [0,2,0,0,0,0|0,1,0]=3 704 B11R1.1 OC\C=C\C1=CC=C(Br)C=C1 CJ3236 [0,2,0,0,0,0|0,1,1]=4 705 B11R1.20 CC(=O)CC1=CC=C(Cl)C=C1 JZ2786 [0,2,0,0,0,0|0,1,1]=4 706 B11R1.20 CC(=O)CC1=CC=C(F)C=C1 HL1838 [0,2,0,0,0,0|0,1,1]=4 707 B11R1.20 CC(=O)CC1=CC=C(O)C=C1 YH18094 [0,2,0,0,0,0|0,1,1]=4 708 B11R1.20 CC(C)CC1=CC=C(Br)C=C1 LX2745 [0,2,0,0,0,0|1,0,0]=3 709 B11R1.20 CC(C)NC1=CC=C(Cl)C=C1 HL0415 [0,2,0,0,0,0|2,0,0]=4 710 B11R1.20 CC(C)OC1=CC=C(N)C=C1 LQ3314 [0,2,0,0,0,0|2,0,0]=4 711 B11R1.20 CC(N)CC1=CC=C(F)C=C1 HL1836 [0,2,0,0,0,0|1,0,0]=3 712 B11R1.20 CC(N)CC1=CC=C(F)C=C1 LL1086 [0,2,0,0,0,0|1,0,0]=3 713 B11R1.20 N=C(N)CC1=CC=C(Cl)C=C1 RT3249 [0,2,0,0,0,0|1,0,1]=4 714 B11R1.20 NC(=O)CC1=CC=C(O)C=C1 XJ4357 [0,2,0,0,0,0|0,1,1]=4 715 B11R1.20 NC(=S)CC1=CC=C(Cl)C=C1 LQ3999 [0,2,0,0,0,0|0,0,2]=4 716 B11R1.20 NC1=CC=C(CC(=O)O)C=C1 LT3063 [0,2,0,0,0,0|0,1,1]=4 717 B11R1.20 NC1=CC=C(OC(F)F)C=C1 XJ4644 [0,2,0,0,0,0|2,0,0]=4 718 B11R1.20 O=C(Cl)CC1=CC=C(F)C=C1 HL1839 [0,2,0,0,0,0|0,1,1]=4 719 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 LQ1955 [0,2,0,0,0,0|0,1,1]=4 720 B11R1.20 O=C(O)CC1=CC=C(F)C=C1 LT3076 [0,2,0,0,0,0|0,1,1]=4 721 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 RT12785 [0,2,0,0,0,0|0,1,1]=4 722 B11R1.22 C(=O)C(C)C1=CC=C(Cl)C=C1 YH58118 [0,2,0,0,0,0|0,1,1]=4 723 B11R1.22 CC1=CC=C(C(=O)CN)C=C1 YH65417 [0,2,0,0,0,0|1,0,1]=4 724 B11R1.22 CC1=CC=C(C(C)C=O)C=C1 HL1295 [0,2,0,0,0,0|0,1,1]=4 725 B11R1.22 CC1=CC=C(C(O)CN)C=C1 RT1609 [0,2,0,0,0,0|1,0,0]=3 726 B11R1.22 CCC(=O)C1=CC=C(N)C=C1 YH14959 [0,2,0,0,0,0|1,0,1]=4 727 B11R1.22 CCC(=O)C1=CC=C(O)C=C1 RT11202 [0,2,0,0,0,0|1,0,1]=4 728 B11R1.22 CCC(C)C1=CC=C(Br)C=C1 LT4307 [0,2,0,0,0,0|1,0,0]=3 729 B11R1.22 FC1=CC=C(C(Br)CBr)C=C1 YH56190 [0,2,0,0,0,0|1,0,0]=3 730 B11R1.22 NC1=CC=C(C(=O)CBr)C=C1 RT1562 [0,2,0,0,0,0|1,0,1]=4 731 B11R1.22 NCC(=O)C1=CC=C(Br)C=C1 LQ2917 [0,2,0,0,0,0|1,0,1]=4 732 B11R1.22 NCC(=O)C1=CC=C(Br)C=C1 RT2897 [0,2,0,0,0,0|1,0,1]=4 733 B11R1.22 NCC(=O)C1=CC=C(Br)C=C1 YH17779 [0,2,0,0,0,0|1,0,1]=4 734 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 YH17778 [0,2,0,0,0,0|1,0,1]=4 735 B11R1.22 NCC(=O)C1=CC=C(F)C=C1 HL1815 [0,2,0,0,0,0|1,0,1]=4 736 B11R1.22 NCC(=O)C1=CC=C(F)C=C1 LX2710 [0,2,0,0,0,0|1,0,1]=4 737 B11R1.22 NCC(=O)C1=CC=C(O)C=C1 YH43755 [0,2,0,0,0,0|1,0,1]=4 738 B11R1.22 O=C(CBr)C1=CC=C(Br)C=C1 HL1296 [0,2,0,0,0,0|1,0,1]=4 739 B11R1.22 O=C(CBr)C1=CC=C(Cl)C=C1 LT2785 [0,2,0,0,0,0|1,0,1]=4 740 B11R1.22 O=C(CBr)C1=CC=C(O)C=C1 RT10679 [0,2,0,0,0,0|1,0,1]=4 741 B11R1.22 O=C(CCl)C1=CC=C(F)C=C1 HL1817 [0,2,0,0,0,0|1,0,1]=4 742 B11R1.22 O=C(CCl)C1=CC=C(O)C=C1 YH11049 [0,2,0,0,0,0|1,0,1]=4 743 B11R1.81 CCCC1=C(O)C=C(O)C=C1 LQ4152 [0,2,0,0,0,0|1,0,0]=3 744 B11R1.81 CCOC1=C(Cl)C=C(Cl)C=C1 XJ2915 [0,2,0,0,0,0|2,0,0]=4 745 B11R1.81 ClC1=CC(Br)=CC=C1CCI RT1162 [0,2,0,0,0,0|1,0,0]=3 746 B11R1.81 N#CCC1=CC=C(Cl)C=C1F XJ6340 [0,2,0,0,0,0|1,0,1]=4 747 B11R1.81 N#CCC1=CC=C(F)C=C1Cl XJ6342 [0,2,0,0,0,0|1,0,1]=4 748 B11R1.81 N#CCC1=CC=C(F)C=C1F XJ1262 [0,2,0,0,0,0|1,0,1]=4 749 B11R1.81 NOCC1=CC=C(Cl)C=C1Cl XJ5608 [0,2,0,0,0,0|2,0,0]=4 750 B11R1.81 OCCC1=CC=C(Br)C=C1Cl RT1161 [0,2,0,0,0,0|0,1,0]=3 751 B11R1.83 C#CC1=CC=C(CCC)C=C1 XJ5935 [0,2,0,0,0,0|1,0,0]=3 752 B11R1.83 C#CC1=CC=C(OCC)C=C1 SY0305 [0,2,0,0,0,0|2,0,0]=4 753 B11R1.83 C=CCC1=CC=C(OC)C=C1 HL4630 [0,2,0,0,0,0|1,0,1]=4 754 B11R1.83 C=CCC1=CC=C(OC)C=C1 XJ1725 [0,2,0,0,0,0|1,0,1]=4 755 B11R1.83 CCC1=CN=C(CCO)C=C1 LQ2783 [0,2,0,0,0,0|1,1,0]=4 756 B11R1.83 CCNC1=CC=C(CC)C=C1 YH65305 [0,2,0,0,0,0|2,0,0]=4 757 B11R1.83 CCOC1=CC=C(C#N)C=C1 JZ5625 [0,2,0,0,0,0|2,0,0]=4 758 B11R1.83 CCOC1=CC=C(CO)C=C1 XJ3074 [0,2,0,0,0,0|2,0,0]=4 759 B11R1.83 CCOC1=CC=C(OC)C=C1 RT12893 [0,2,0,0,0,0|2,0,0]=4 760 B11R1.83 CNCC1=CC=C(OC)C=C1 YH91719 [0,2,0,0,0,0|2,0,0]=4 761 B11R1.83 COC1=CC=C(CC#N)C=C1 LL0369 [0,2,0,0,0,0|1,0,1]=4 762 B11R1.83 COC1=CC=C(CC=O)C=C1 XJ2955 [0,2,0,0,0,0|0,1,1]=4 763 B11R1.83 COC1=CC=C(CCCl)C=C1 RT6112 [0,2,0,0,0,0|1,0,0]=3 764 B11R1.83 COC1=CC=C(CCN)C=C1 RT11955 [0,2,0,0,0,0|1,0,0]=3 765 B11R1.83 COC1=CC=C(CON)C=C1 LL1707 [0,2,0,0,0,0|2,0,0]=4 766 B11R1.83 COC1=CC=C(CON)C=C1 LT1378 [0,2,0,0,0,0|2,0,0]=4 767 B11R1.83 N#CC1=CC=C(CCN)C=C1 LL2081 [0,2,0,0,0,0|1,0,0]=3 768 B11R1.83 N#CC1=CC=C(CCN)C=C1 LX2258 [0,2,0,0,0,0|1,0,0]=3 769 B11R1.192 C=CCC1=CC(O)=C(O)C=C1 YH25190 [0,2,0,0,0,0|1,0,1]=4 770 B11R1.192 CCOC1=CC=C(N)C(N)=C1 LT2364 [0,2,0,0,0,0|2,0,0]=4 771 B11R1.192 CCOC1=CC=C(N)C(N)=C1 LT5847 [0,2,0,0,0,0|2,0,0]=4 772 B11R1.192 N#CCC1=CC(Cl)=C(Cl)C=C1 LT1824 [0,2,0,0,0,0|1,0,1]=4 773 B11R1.192 N#CCC1=CC=C(Cl)C(F)=C1 YH49508 [0,2,0,0,0,0|1,0,1]=4 774 B11R1.192 N#CCC1=CC=C(F)C(Br)=C1 YH65828 [0,2,0,0,0,0|1,0,1]=4 775 B11R1.192 N#CCC1=CC=C(F)C(F)=C1 XJ1278 [0,2,0,0,0,0|1,0,1]=4 776 B11R1.192 NCCC1=CC(O)=C(O)C=C1 XJ0012 [0,2,0,0,0,0|1,0,0]=3 777 B11R1.192 NCCC1=CC(S)=C(O)C=C1 RT16281 [0,2,0,0,0,0|1,0,0]=3 778 B11R1.192 O=CCC1=CC=C(O)C(O)=C1 RT12179 [0,2,0,0,0,0|0,1,1]=4 779 B11R1.192 OCCC1=CC=C(Cl)C(Cl)=C1 RT10962 [0,2,0,0,0,0|0,1,0]=3 780 B11R1.17 C=CCOC1=CC=CC=C1O HL0688 [0,2,0,0,0,0|1,0,1]=4 781 B11R1.17 COCCC1=CC=CC=C1O RT11073 [0,2,0,0,0,0|0,1,0]=3 782 B11R1.17 FCCSC1=CC=CC=C1Br LT1460 [0,2,0,0,0,0|1,0,0]=3 783 B11R1.17 NCCOC1=CC=CC=C1O RT2926 [0,2,0,0,0,0|1,0,0]=3 784 B11R1.17 OCCOC1=CC=CN=C1Br YH53850 [0,2,0,0,0,0|1,1,0]=4 785 B11R1.41 CCOC1=C(OC)C=CC=C1 YH65716 [0,2,0,0,0,0|2,0,0]=4 786 B11R1.41 CCOC1=CC=CC=C1CO XJ6252 [0,2,0,0,0,0|2,0,0]=4 787 B11R1.41 COC1=C(CC#N)C=CC=C1 XJ3232 [0,2,0,0,0,0|1,0,1]=4 788 B11R1.41 COC1=CC=CC=C1CC=O LQ4766 [0,2,0,0,0,0|0,1,1]=4 789 B11R1.41 N#CCC1=C(C#N)C=CC=C1 HL2614 [0,2,0,0,0,0|1,0,1]=4 790 B11R1.41 O=CC1=C(CCBr)C=CC=C1 YH47917 [0,2,0,0,0,0|1,0,0]=3 791 B11R1.86 CC(=O)CC1=CC=CC=C1Br RT11899 [0,2,0,0,0,0|0,1,1]=4 792 B11R1.86 CC(C)OC1=C(O)C=CC=C1 JZ2617 [0,2,0,0,0,0|2,0,0]=4 793 B11R1.86 CC(C)OC1=CC=CC=C1Br JZ4107 [0,2,0,0,0,0|2,0,0]=4 794 B11R1.86 CC(N)CC1=CC=CC=C1F JZ4703 [0,2,0,0,0,0|1,0,0]=3 795 B11R1.86 CC1=C(CC(=O)O)C=CC=C1 LT2142 [0,2,0,0,0,0|0,1,1]=4 796 B11R1.86 NC1=CC=CC=C1OC(F)F XJ4641 [0,2,0,0,0,0|2,0,0]=4 797 B11R1.86 O=C(Cl)CC1=C(F)C=CC=C1 XJ0788 [0,2,0,0,0,0|0,1,1]=4 798 B11R1.86 O=C(O)CC1=C(Cl)C=CC=C1 LT6517 [0,2,0,0,0,0|0,1,1]=4 799 B11R1.86 O=C(O)CC1=C(I)C=CC=C1 LT6567 [0,2,0,0,0,0|0,1,1]=4 800 B11R1.86 O=C(O)CC1=CC=CC=C1Br LT6480 [0,2,0,0,0,0|0,1,1]=4 801 B11R1.86 O=C(O)CC1=CC=CC=C1S RT19094 [0,2,0,0,0,0|0,1,1]=4 802 B11R1.86 O=C([O-])CC1=CC=CC=C1O JZ0260 [0,2,0,0,0,0|0,1,1]=4 803 B11R1.182 CCOC1=C(Br)C=CC(N)=C1 LL2065 [0,2,0,0,0,0|2,0,0]=4 804 B11R1.182 CCOC1=CC(Cl)=CC=C1I LT3170 [0,2,0,0,0,0|2,0,0]=4 805 B11R1.182 CCOC1=CC(N)=CC=C1Br LL2988 [0,2,0,0,0,0|2,0,0]=4 806 B11R1.182 NC1=CC=C(N)C(CCO)=C1 YH96767 [0,2,0,0,0,0|0,1,0]=3 807 B11R1.182 OCCC1=CC(Cl)=CC=C1Cl YH42571 [0,2,0,0,0,0|0,1,0]=3 808 B11R1.222 CCC(=O)C1=CC=CC=C1F XJ0760 [0,2,0,0,0,0|1,0,1]=4 809 B11R1.222 CCC(C)C1=C(O)C=CC=C1 LL0208 [0,2,0,0,0,0|1,0,0]=3 810 B11R1.222 NCC(=O)C1=C(Br)C=CC=C1 YH08544 [0,2,0,0,0,0|1,0,1]=4 811 B11R1.222 NCC(=O)C1=C(Cl)C=CC=C1 HL4533 [0,2,0,0,0,0|1,0,1]=4 812 B11R1.222 NCC(=O)C1=C(F)C=CC=C1 YH16342 [0,2,0,0,0,0|1,0,1]=4 813 B11R1.222 NCC(O)C1=CC=CC=C1F JZ2275 [0,2,0,0,0,0|1,0,0]=3 814 B11R1.222 O=C(CBr)C1=CC=CC=C1Cl HL2832 [0,2,0,0,0,0|1,0,1]=4 815 B11R1.222 O=C(CCl)C1=CC=CC=C1F RT11088 [0,2,0,0,0,0|1,0,1]=4 816 B11R1.605 N#CCC1=C(F)C=CC=C1F XJ1246 [0,2,0,0,0,0|1,0,1]=4 817 B11R1.605 OCCC1=C(F)C=CC=C1Cl LL2609 [0,2,0,0,0,0|0,1,0]=3 818 B11R1.23 CCC(=O)C1=CC(Cl)=CC=C1 RT12028 [0,2,0,0,0,0|1,0,1]=4 819 B11R1.23 CCC(=O)C1=CC(N)=CC=C1 YH65453 [0,2,0,0,0,0|1,0,1]=4 820 B11R1.23 CCC(=O)C1=CC=CC(O)=C1 LQ3598 [0,2,0,0,0,0|1,0,1]=4 821 B11R1.23 N#CC(O)C1=CC=CC(O)=C1 RT6293 [0,2,0,0,0,0|1,0,1]=4 822 B11R1.23 NCC(O)C1=CC(Cl)=CC=C1 YH05716 [0,2,0,0,0,0|1,0,0]=3 823 B11R1.23 NCC(O)C1=CC(O)=CC=C1 RT2781 [0,2,0,0,0,0|1,0,0]=3 824 B11R1.23 O=C(CCl)C1=CC=CC(Cl)=C1 LQ4318 [0,2,0,0,0,0|1,0,1]=4 825 B11R1.24 COCCC1=CC(O)=CC=C1 RT10599 [0,2,0,0,0,0|0,1,0]=3 826 B11R1.24 FCCOC1=CC(Br)=CC=C1 LT1466 [0,2,0,0,0,0|1,0,0]=3 827 B11R1.24 OCCOC1=CC(O)=CC=C1 RT7314 [0,2,0,0,0,0|0,1,0]=3 828 B11R1.34 N#CCC1=CC(Br)=CC(Br)=C1 YH42677 [0,2,0,0,0,0|1,0,1]=4 829 B11R1.34 N#CCC1=CC(F)=CC(Cl)=C1 LL2868 [0,2,0,0,0,0|1,0,1]=4 830 B11R1.34 OCCC1=CC(Cl)=CC(Cl)=C1 YH96519 [0,2,0,0,0,0|0,1,0]=3 831 B11R1.157 CC(=O)CC1=CC=CC(C)=C1 LQ4107 [0,2,0,0,0,0|0,1,1]=4 832 B11R1.157 CC(C)OC1=CC=CC(Br)=C1 HL3436 [0,2,0,0,0,0|2,0,0]=4 833 B11R1.157 CC1=CC(CC(=O)O)=CC=C1 JZ3970 [0,2,0,0,0,0|0,1,1]=4 834 B11R1.157 NC(=O)CC1=CC=CC(Cl)=C1 YH66558 [0,2,0,0,0,0|0,1,1]=4 835 B11R1.157 NC1=CC(CC(=O)O)=CC=C1 XJ4094 [0,2,0,0,0,0|0,1,1]=4 836 B11R1.157 NC1=CC(OC(F)F)=CC=C1 XJ4643 [0,2,0,0,0,0|2,0,0]=4 837 B11R1.157 O=C(O)CC1=CC(F)=CC=C1 LT3102 [0,2,0,0,0,0|0,1,1]=4 838 B11R1.157 O=C(O)CC1=CC(I)=CC=C1 LQ1956 [0,2,0,0,0,0|0,1,1]=4 839 B11R1.157 O=C(O)CC1=CC=CC(Br)=C1 LQ1954 [0,2,0,0,0,0|0,1,1]=4 840 B11R1.157 O=C(O)CC1=CC=CC(Cl)=C1 LT6766 [0,2,0,0,0,0|0,1,1]=4 841 B11R1.157 O=C(O)CC1=CC=CC(O)=C1 LT3028 [0,2,0,0,0,0|0,1,1]=4 842 B11R1.157 O=C(O)CC1=CC=CC(S)=C1 RT19096 [0,2,0,0,0,0|0,1,1]=4 843 B11R1.189 CCOC1=CC(CO)=CC=C1 XJ6249 [0,2,0,0,0,0|2,0,0]=4 844 B11R1.189 COC1=CC=CC(CC#N)=C1 LT3029 [0,2,0,0,0,0|1,0,1]=4 845 B11R1.189 COC1=CC=CC(CCN)=C1 XJ2033 [0,2,0,0,0,0|1,0,0]=3 846 B11R1.189 COC1=NC=CC(CCN)=C1 YH17803 [0,2,0,0,0,0|2,0,0]=4 847 B11R1.7 CC(C)(C#N)C1=CC=CC=C1 SY0100 [0,2,0,0,0,0|1,0,1]=4 848 B11R1.7 CC(N)(CO)C1=CC=CC=C1 YH66378 [0,2,0,0,0,0|0,1,0]=3 849 B11R1.7 CC(O)(CO)C1=CC=CC=C1 HL2733 [0,2,0,0,0,0|0,1,0]=3 850 B11R1.7 CCC(C)(O)C1=CC=CC=C1 JZ4655 [0,2,0,0,0,0|1,0,0]=3 851 B11R1.7 CCS(=O)(=O)C1=CC=CC=C1 LQ1163 [0,2,0,0,0,0|2,0,0]=4 852 B11R1.12 CCC(CC)C1=NC=CC=C1 LT3246 [0,2,0,0,0,0|2,0,0]=4 853 B11R1.12 CC[C@@H](CCl)C1=CC=CC=C1 RT17488 [0,2,0,0,0,0|1,0,0]=3 854 B11R1.12 COC(OC)C1=CC=CC=C1 HL0685 [0,2,0,0,0,0|2,0,0]=4 855 B11R1.12 N#CC(C#N)C1=CC=CC=C1 YH53125 [0,2,0,0,0,0|1,0,1]=4 856 B11R1.12 NCC(CO)C1=CC=CC=C1 RT3247 [0,2,0,0,0,0|0,1,0]=3 857 B11R1.12 OCP(CO)C1=CC=CC=C1 LQ2400 [0,2,0,0,0,0|1,1,0]=4 858 B11R1.16 CCCC(C)C1=CC=CC=C1 XJ2276 [0,2,0,0,0,0|1,0,0]=3 859 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 HL2642 [0,2,0,0,0,0|1,0,0]=3 860 B11R1.16 CCNC(C)C1=CC=CN=C1 RT2509 [0,2,0,0,0,0|2,0,0]=4 861 B11R1.16 CCOC(=N)C1=CC=CC=C1 XJ2841 [0,2,0,0,0,0|1,0,1]=4 862 B11R1.16 CCOC(=O)C1=CC=CC=C1 HL1235 [0,2,0,0,0,0|1,0,1]=4 863 B11R1.16 CCOC(=O)C1=CC=CC=C1 XJ5129 [0,2,0,0,0,0|1,0,1]=4 864 B11R1.16 CN(CCO)C1=NC=CC=C1 YH28946 [0,2,0,0,0,0|1,1,0]=4 865 B11R1.16 CNCC(C)C1=CC=CC=C1 RT3521 [0,2,0,0,0,0|1,0,0]=3 866 B11R1.16 COCC(=O)C1=CC=CC=C1 XJ2596 [0,2,0,0,0,0|0,1,1]=4 867 B11R1.16 N#CCC(=O)C1=CC=CC=C1 LT6989 [0,2,0,0,0,0|1,0,1]=4 868 B11R1.16 N#CCC(O)C1=CC=CC=C1 RT6095 [0,2,0,0,0,0|1,0,0]=3 869 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 LT6112 [0,2,0,0,0,0|0,1,0]=3 870 B11R1.16 O=C(CCBr)C1=CC=CC=C1 YH65517 [0,2,0,0,0,0|1,0,0]=3 871 B11R1.16 O=C(CCCl)C1=CC=CC=C1 YH58599 [0,2,0,0,0,0|1,0,0]=3 872 B11R1.16 OCC[C@@H](O)C1=CC=CC=C1 LL1784 [0,2,0,0,0,0|0,1,0]=3 873 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 RT6757 [0,2,0,0,0,0|1,0,0]=3 874 B11R1.16 O[C@H](CCCl)C1=CC=CC=C1 LX3302 [0,2,0,0,0,0|1,0,0]=3 875 B11R1.36 CC(=O)C(C)C1=CC=CC=C1 HL0407 [0,2,0,0,0,0|0,1,1]=4 876 B11R1.36 CC(=O)C(N)C1=CC=CC=C1 YH58730 [0,2,0,0,0,0|0,1,1]=4 877 B11R1.36 CC(Br)C(=O)C1=CC=CC=C1 LQ2063 [0,2,0,0,0,0|1,0,1]=4 878 B11R1.36 CC(C)C(=O)C1=CC=CC=C1 XJ1123 [0,2,0,0,0,0|1,0,1]=4 879 B11R1.36 CC(C)C(O)C1=CC=CC=C1 XJ1122 [0,2,0,0,0,0|1,0,0]=3 880 B11R1.36 CC(C1=CC=CC=C1)N(C)C XJ2195 [0,2,0,0,0,0|2,0,0]=4 881 B11R1.36 CC(Cl)C(=O)C1=CC=CC=C1 RT10540 [0,2,0,0,0,0|1,0,1]=4 882 B11R1.36 C[C@@H](N)[C@H](O)C1=CC=CC=C1 RT3084 [0,2,0,0,0,0|1,0,0]=3 883 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 JZ0182 [0,2,0,0,0,0|0,1,1]=4 884 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 JZ0158 [0,2,0,0,0,0|0,1,1]=4 885 B11R1.36 N[C@@H](C(=O)O)C1=CC=CC=C1 LT4728 [0,2,0,0,0,0|0,1,1]=4 886 B11R1.36 N[C@H](C(=O)O)C1=CC=CC=C1 YH52440 [0,2,0,0,0,0|0,1,1]=4 887 B11R1.36 O=C(C1=CC=CC=C1)C(Cl)Cl JZ2121 [0,2,0,0,0,0|1,0,1]=4 888 B11R1.36 O=C(C1=CC=CC=C1)C(F)F HL1767 [0,2,0,0,0,0|1,0,1]=4 889 B11R1.36 O=C(C1=CC=CC=C1)C(O)O JZ4378 [0,2,0,0,0,0|0,1,1]=4 890 B11R1.36 O=C(Cl)C(Cl)C1=CC=CC=C1 LT6908 [0,2,0,0,0,0|0,1,1]=4 891 B11R1.36 O=C(O)C(Br)C1=CC=CC=C1 XJ2766 [0,2,0,0,0,0|0,1,1]=4 892 B11R1.36 O=C(O)C(Cl)C1=CC=CC=C1 YH66089 [0,2,0,0,0,0|0,1,1]=4 893 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 JZ1417 [0,2,0,0,0,0|0,1,1]=4 894 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 LX2232 [0,2,0,0,0,0|0,1,1]=4 895 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 XJ0179 [0,2,0,0,0,0|0,1,1]=4 896 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 XJ4358 [0,2,0,0,0,0|0,1,1]=4 897 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 LT4732 [0,2,0,0,0,0|0,1,1]=4 898 B11R1.36 O=[PH]([O-])C(O)C1=CC=CC=C1 RT12947 [0,2,0,0,0,0|1,1,0]=4 899 B11R1.36 [C@H](C)(C(=O)O)C1=CC=CC=C1 JZ0854 [0,2,0,0,0,0|0,1,1]=4 900 B11R1.28 BrCCCCC1=CC=CC=C1 LT3814 [0,2,0,0,0,0|1,0,0]=3 901 B11R1.28 BrCCCOC1=CC=CC=C1 HL0049 [0,2,0,0,0,0|1,0,0]=3 902 B11R1.28 C#CCOCC1=CC=CC=C1 RT1136 [0,2,0,0,0,0|1,0,0]=3 903 B11R1.28 C(=N/C1=CC=CC=C1)OCC LQ3167 [0,2,0,0,0,0|1,0,1]=4 904 B11R1.28 CCCC#CC1=CC=CC=C1 LQ2616 [0,2,0,0,0,0|1,0,0]=3 905 B11R1.28 CCCCCC1=NC=CC=C1 LT3426 [0,2,0,0,0,0|2,0,0]=4 906 B11R1.28 CCCCOC1=CC=CC=C1 HL0694 [0,2,0,0,0,0|1,0,0]=3 907 B11R1.28 CCNCCC1=NC=CC=C1 LT5810 [0,2,0,0,0,0|2,0,0]=4 908 B11R1.28 CCOCCC1=NC=CC=C1 LT3880 [0,2,0,0,0,0|1,1,0]=4 909 B11R1.28 CNC\C=C\C1=CC=CC=C1 RT2865 [0,2,0,0,0,0|1,0,1]=4 910 B11R1.28 COCCSC1=CC=CC=C1 HL4605 [0,2,0,0,0,0|0,1,0]=3 911 B11R1.28 ClCCCCC1=CC=CC=C1 JZ2628 [0,2,0,0,0,0|1,0,0]=3 912 B11R1.28 ClCCCCC1=CC=NC=C1 YH65475 [0,2,0,0,0,0|2,0,0]=4 913 B11R1.28 ClCCCSC1=CC=CC=C1 XJ2786 [0,2,0,0,0,0|1,0,0]=3 914 B11R1.28 ClCCOCC1=CC=CC=C1 RT12009 [0,2,0,0,0,0|1,0,0]=3 915 B11R1.28 NCCCCC1=CC=CC=C1 JZ3683 [0,2,0,0,0,0|1,0,0]=3 916 B11R1.28 NCCNCC1=CC=CC=C1 LQ1479 [0,2,0,0,0,0|1,0,0]=3 917 B11R1.28 NCCOCC1=CC=CC=C1 YH23168 [0,2,0,0,0,0|1,0,0]=3 918 B11R1.28 O=C=NCCC1=CC=CC=C1 JZ1800 [0,2,0,0,0,0|0,1,0]=3 919 B11R1.28 O=CCOCC1=CC=CC=C1 RT6333 [0,2,0,0,0,0|0,1,0]=3 920 B11R1.28 OCCCCC1=CC=NC=C1 YH65835 [0,2,0,0,0,0|1,1,0]=4 921 B11R1.28 OCCCNC1=CC=CC=C1 LT5756 [0,2,0,0,0,0|0,1,0]=3 922 B11R1.28 OCCCOC1=CC=CC=C1 XJ3053 [0,2,0,0,0,0|0,1,0]=3 923 B11R1.28 OCCNCC1=CC=CC=C1 YH22684 [0,2,0,0,0,0|0,1,0]=3 924 B11R1.28 OCCOCC1=CC=CC=C1 JZ3992 [0,2,0,0,0,0|0,1,0]=3 925 B11R1.28 OCCSCC1=CC=CC=C1 LQ2564 [0,2,0,0,0,0|0,1,0]=3 926 B11R1.28 OCCSCC1=CC=CC=C1 LQ4535 [0,2,0,0,0,0|0,1,0]=3 927 B11R1.28 S=C=NCCC1=CC=CC=C1 HL2155 [0,2,0,0,0,0|0,0,1]=3 928 B11R1.28 [N-]=[N+]=NCSC1=CC=CC=C1 HL4621 [0,2,0,0,0,0|2,0,0]=4 929 B11R1.40 CNC(C)CC1=CC=CN=C1 RT1972 [0,2,0,0,0,0|2,0,0]=4 930 B11R1.40 C\C(=C/C1=CC=CC=C1)CO YH66093 [0,2,0,0,0,0|0,1,1]=4 931 B11R1.40 N#CC(O)CC1=CC=CC=C1 CJ2908 [0,2,0,0,0,0|0,1,0]=3 932 B11R1.40 NCC(=O)CC1=CC=CC=C1 RT12543 [0,2,0,0,0,0|1,0,0]=3 933 B11R1.40 NC[C@@H](N)CC1=CC=CC=C1 RT1726 [0,2,0,0,0,0|1,0,0]=3 934 B11R1.40 NC[C@H](N)CC1=CC=CC=C1 RT1725 [0,2,0,0,0,0|1,0,0]=3 935 B11R1.40 NNC(=O)CC1=CC=CC=C1 JZ4307 [0,2,0,0,0,0|0,1,1]=4 936 B11R1.40 O=C(CBr)CC1=CC=CC=C1 RT10869 [0,2,0,0,0,0|1,0,0]=3 937 B11R1.40 O=C(CBr)OC1=CC=CC=C1 JZ3957 [0,2,0,0,0,0|1,0,1]=4 938 B11R1.40 O=C(CCl)NC1=CC=CC=C1 YH08620 [0,2,0,0,0,0|1,0,1]=4 939 B11R1.40 O=C(CO)CC1=CC=CC=C1 RT6783 [0,2,0,0,0,0|0,1,0]=3 940 B11R1.91 C=C(C)COC1=CC=CC=C1 HL3035 [0,2,0,0,0,0|1,0,1]=4 941 B11R1.91 CC(=O)CCC1=CC=CC=C1 LQ2231 [0,2,0,0,0,0|0,1,0]=3 942 B11R1.91 CC(N)CCC1=CC=CC=C1 XJ4684 [0,2,0,0,0,0|1,0,0]=3 943 B11R1.91 CC(O)COC1=CC=CC=C1 HL0414 [0,2,0,0,0,0|0,1,0]=3 944 B11R1.91 CC(O)COC1=CC=CC=C1 HL3407 [0,2,0,0,0,0|0,1,0]=3 945 B11R1.91 CN(C)CCC1=NC=CC=C1 LT3793 [0,2,0,0,0,0|2,0,0]=4 946 B11R1.91 ClP(Cl)OCC1=CC=CC=C1 RT12951 [0,2,0,0,0,0|2,0,0]=4 947 B11R1.91 N=C(N)SCC1=CC=CC=C1 XJ0890 [0,2,0,0,0,0|1,0,1]=4 948 B11R1.91 NC(=O)COC1=CC=CC=C1 JZ3987 [0,2,0,0,0,0|0,1,1]=4 949 B11R1.91 NC(=O)OCC1=CC=CC=C1 JZ3985 [0,2,0,0,0,0|0,1,1]=4 950 B11R1.91 NC(=S)NCC1=CC=CC=C1 JZ3984 [0,2,0,0,0,0|0,0,2]=4 951 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 RT11201 [0,2,0,0,0,0|0,1,0]=3 952 B11R1.91 O=C(O)CSC1=CC=CC=C1 LL0306 [0,2,0,0,0,0|0,1,1]=4 953 B11R1.91 O=C([O-])CNC1=CC=CC=C1 LT5790 [0,2,0,0,0,0|0,1,1]=4 954 B11R1.509 CC(C)(O)CC1=CC=CC=C1 LQ0299 [0,2,0,0,0,0|0,1,0]=3 955 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 LL1922 [0,2,0,0,0,0|2,0,0]=4 956 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 LT4179 [0,2,0,0,0,0|2,0,0]=4 957 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 LT6993 [0,2,0,0,0,0|2,0,0]=4 958 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 XJ3090 [0,2,0,0,0,0|2,0,0]=4 959 B11R1.509 ClC(Cl)(Cl)OC1=CC=CC=C1 YH56080 [0,2,0,0,0,0|2,0,0]=4 960 B9R2.50 C1=CC=C2CCC2=C1 LQ1353 [1,0,0,1,0,0|0,0,0]=2 961 B11R2.34 ClC1=CC=C(C2CO2)C=C1 RT7256 [0,1,0,1,0,0|0,1,0]=3 962 B11R2.34 OC1=CC=C(C2CO2)C=C1 RT7953 [0,1,0,1,0,0|0,1,0]=3 963 B11R2.36 BrC1=CC2=C(C=C1)CNC2 YH30587 [0,1,0,1,0,0|2,0,0]=4 964 B11R2.36 BrC1=CC2=C(C=C1)CNC2 YH95781 [0,1,0,1,0,0|2,0,0]=4 965 B11R2.36 BrC1=CC2=C(C=C1)NCC2 JZ5527 [0,1,0,1,0,0|1,0,0]=3 966 B11R2.36 BrC1=CC=C2CCNC2=C1 LX2857 [0,1,0,1,0,0|1,0,0]=3 967 B11R2.36 BrC1=CC=C2OCOC2=C1 JZ2102 [0,1,0,1,0,0|1,1,0]=4 968 B11R2.36 BrC1=CC=C2SC=CC2=C1 LT0700 [0,1,0,1,0,0|0,0,2]=4 969 B11R2.36 CC1=CC2=C(C=C1)NCC2 YH12422 [0,1,0,1,0,0|1,0,0]=3 970 B11R2.36 ClC1=CC2=C(C=C1)NCC2 XJ4859 [0,1,0,1,0,0|1,0,0]=3 971 B11R2.36 ClC1=CC2=C(C=C1)OCO2 LQ3200 [0,1,0,1,0,0|1,1,0]=4 972 B11R2.36 ClC1=CC=C2CCCC2=N1 YH26825 [0,1,0,1,0,0|2,0,0]=4 973 B11R2.36 ClC1=CC=C2N=CSC2=C1 YH52477 [0,1,0,1,0,0|1,0,1]=4 974 B11R2.36 FC1=CC2=C(C=C1)CCC2 RT10570 [0,1,0,1,0,0|1,0,0]=3 975 B11R2.36 FC1=CC=C2CNCC2=C1 YH08025 [0,1,0,1,0,0|2,0,0]=4 976 B11R2.36 FC1=CC=C2OCCC2=C1 HL3917 [0,1,0,1,0,0|0,1,0]=3 977 B11R2.36 NC1=CC2=C(C=C1)CCC2 YH49019 [0,1,0,1,0,0|1,0,0]=3 978 B11R2.36 NC1=CC2=C(C=C1)COC2 YH10378 [0,1,0,1,0,0|2,0,0]=4 979 B11R2.36 NC1=CC=C2CCNC2=C1 YH51733 [0,1,0,1,0,0|1,0,0]=3 980 B11R2.36 OC1=CC2=C(C=C1)CCN2 YH01995 [0,1,0,1,0,0|1,0,0]=3 981 B11R2.36 OC1=CC2=C(C=C1)CNC2 YH66673 [0,1,0,1,0,0|2,0,0]=4 982 B11R2.36 OC1=CC=C2OCOC2=C1 RT10172 [0,1,0,1,0,0|1,1,0]=4 983 B11R2.10 BrC1=NC2=CC=CC=C2S1 HL2307 [0,1,0,1,0,0|1,0,1]=4 984 B11R2.10 CC1=NC2=CC=CC=C2S1 LL0486 [0,1,0,1,0,0|1,0,1]=4 985 B11R2.10 C[C@@H]1CC2=C(C=CC=C2)N1 LT1106 [0,1,0,1,0,0|1,0,0]=3 986 B11R2.10 C[C@H]1CC2=C(C=CC=C2)N1 LT1107 [0,1,0,1,0,0|1,0,0]=3 987 B11R2.10 ClC1=NC2=CC=CC=C2S1 LT2131 [0,1,0,1,0,0|1,0,1]=4 988 B11R2.10 NC1=NC2=C(C=CC=C2)S1 LL0576 [0,1,0,1,0,0|1,0,1]=4 989 B11R2.10 NC1CC2=C(C=CC=C2)C1 HL2236 [0,1,0,1,0,0|1,0,0]=3 990 B11R2.10 NC1CC2=CC=CC=C2C1 XJ2313 [0,1,0,1,0,0|1,0,0]=3 991 B11R2.10 O=C1CC2=C(C=CC=C2)N1 JZ1726 [0,1,0,1,0,0|0,1,1]=4 992 B11R2.10 O=C1CC2=CC=CC=C2C1 JZ0697 [0,1,0,1,0,0|0,1,1]=4 993 B11R2.10 O=C1CC2=CC=CC=C2S1 RT9248 [0,1,0,1,0,0|0,0,1]=3 994 B11R2.10 OC1=NC2=C(C=CC=C2)S1 JZ4289 [0,1,0,1,0,0|1,0,1]=4 995 B11R2.10 OC1CC2=CC=CC=C2C1 JZ0698 [0,1,0,1,0,0|0,1,0]=3 996 B11R2.10 SC1=NC2=C(C=CC=C2)O1 LT2020 [0,1,0,1,0,0|1,0,1]=4 997 B11R2.10 SC1=NC2=CC=CC=C2N1 RT9298 [0,1,0,1,0,0|1,0,1]=4 998 B11R2.10 SC1=NC2=CC=CC=C2S1 HL1623 [0,1,0,1,0,0|1,0,1]=4 999 B11R2.10 SC1NC2=C(C=CC=C2)N1 LQ5320 [0,1,0,1,0,0|1,0,0]=3 1000 B11R2.20 C1=CC2=C(C=C1)NCCN2 YH55994 [0,1,0,1,0,0|1,0,0]=3 1001 B11R2.20 C1=CC2=C(CNCC2)N=C1 YH32986 [0,1,0,1,0,0|2,0,0]=4 1002 B11R2.20 C1=CC=C2OCCOC2=C1 LL0887 [0,1,0,1,0,0|0,1,0]=3 1003 B11R2.20 C1=CN=C2CCCCC2=C1 LT0944 [0,1,0,1,0,0|2,0,0]=4 1004 B11R2.20 C1=CN=C2NCCOC2=C1 YH44737 [0,1,0,1,0,0|1,1,0]=4 1005 B11R2.20 C1=NC=C2CCCCC2=C1 LT0943 [0,1,0,1,0,0|2,0,0]=4 1006 B11R2.20 C1=NC=C2CNCCC2=C1 YH24216 [0,1,0,1,0,0|2,0,0]=4 1007 B11R2.55 ClC1=CC=CC=C1C2CO2 RT7261 [0,1,0,1,0,0|0,1,0]=3 1008 B11R2.55 OC1=CC=CC=C1C2CO2 RT7911 [0,1,0,1,0,0|0,1,0]=3 1009 B11R2.106 BrC1=CC=CC2=C1C=CS2 LT0676 [0,1,0,1,0,0|0,0,2]=4 1010 B11R2.106 BrC1=CC=CC2=C1CC=C2 YH65705 [0,1,0,1,0,0|1,0,1]=4 1011 B11R2.106 BrC1=CC=CC2=C1CCO2 RT9936 [0,1,0,1,0,0|0,1,0]=3 1012 B11R2.106 CC1=CC=CC2=C1C=CC2 YH16258 [0,1,0,1,0,0|1,0,1]=4 1013 B11R2.106 ClC1=C2C=CSC2=CC=C1 YH65028 [0,1,0,1,0,0|0,0,2]=4 1014 B11R2.106 FC1=CC=CC2=C1CCN2 YH65847 [0,1,0,1,0,0|1,0,0]=3 1015 B11R2.106 NC1=C2OCOC2=CC=C1 LQ1859 [0,1,0,1,0,0|1,1,0]=4 1016 B11R2.106 NC1=CC=CC2=C1N=CS2 YH25112 [0,1,0,1,0,0|1,0,1]=4 1017 B11R2.106 OC1=C2CCOC2=CC=C1 YH34935 [0,1,0,1,0,0|0,1,0]=3 1018 B11R2.106 OC1=C2N=CSC2=CC=C1 YH16522 [0,1,0,1,0,0|1,0,1]=4 1019 B11R2.106 OC1=CC=CC2=C1CC=C2 RT6145 [0,1,0,1,0,0|1,0,1]=4 1020 B11R2.35 ClC1=CC(C2CO2)=CC=C1 LQ5277 [0,1,0,1,0,0|0,1,0]=3 1021 B11R2.35 ClC1=CC([C@@H]2CO2)=CC=C1 XJ5947 [0,1,0,1,0,0|0,1,0]=3 1022 B11R2.1 CC1=CCC2=C1C=CC=C2 YH66128 [0,1,0,1,0,0|1,0,1]=4 1023 B11R2.1 CC1=CSC2=CC=CC=C12 HL0822 [0,1,0,1,0,0|0,0,2]=4 1024 B11R2.1 CC1C=CC2=CC=CC=C21 YH65581 [0,1,0,1,0,0|1,0,1]=4 1025 B11R2.1 CC1CNC2=CC=CC=C21 YH01636 [0,1,0,1,0,0|1,0,0]=3 1026 B11R2.1 CN1CCC2=C1C=CC=C2 LQ1487 [0,1,0,1,0,0|1,0,0]=3 1027 B11R2.1 ClC1=NSC2=C1C=CC=C2 LQ3345 [0,1,0,1,0,0|1,0,1]=4 1028 B11R2.1 NC1=NSC2=C1C=CC=C2 LQ4347 [0,1,0,1,0,0|1,0,1]=4 1029 B11R2.1 NC1CCC2=C1C=CC=C2 JZ0372 [0,1,0,1,0,0|1,0,0]=3 1030 B11R2.1 NC1CCC2=C1C=CC=C2 LL1225 [0,1,0,1,0,0|1,0,0]=3 1031 B11R2.1 N[C@H]1CCC2=CC=CC=C21 RT1824 [0,1,0,1,0,0|1,0,0]=3 1032 B11R2.1 N[C@H]1CCC2=CC=CN=C21 YH03814 [0,1,0,1,0,0|2,0,0]=4 1033 B11R2.1 O=C1CCC2=CC=CC=C12 RT11144 [0,1,0,1,0,0|0,1,0]=3 1034 B11R2.1 O=C1CCC2=CC=CN=C12 YH53701 [0,1,0,1,0,0|1,1,0]=4 1035 B11R2.1 O=C1COC2=CC=CC=C12 LT6773 [0,1,0,1,0,0|0,1,1]=4 1036 B11R2.1 O=C1NCC2=CC=CC=C12 YH03035 [0,1,0,1,0,0|0,1,1]=4 1037 B11R2.1 O=C1NSC2=CC=CC=C12 RT10518 [0,1,0,1,0,0|1,0,1]=4 1038 B11R2.1 SC1=CNC2=CC=CC=C12 RT16021 [0,1,0,1,0,0|0,0,2]=4 1039 B11R2.4 N[C@@H]1C[C@@H]1C2=CC=CC=C2 RT2823 [0,1,0,1,0,0|1,0,0]=3 1040 B11R2.40 NC1(C2=CC=CC=C2)CC1 YH00383 [0,1,0,1,0,0|1,0,0]=3 1041 B11R2.40 NC1(C2=CC=CC=C2)CC1 YH16483 [0,1,0,1,0,0|1,0,0]=3 1042 B11R2.239 C1=CC=C(C2CNC2)C=C1 RT7923 [0,1,0,1,0,0|1,0,0]=3 1043 B11R2.238 C1=CC=C(SC2CC2)C=C1 LQ3793 [0,1,0,1,0,0|1,0,0]=3 1044 B7R1.1 CCC1=CC=CS1 XJ1420 [1,0,0,0,1,0|1,0,0]=3 1045 B7R1.1 CCC1=NC=CN1 LT6532 [1,0,0,0,1,0|2,0,0]=4 1046 B7R1.1 COC1=CC=CO1 XJ4809 [1,0,0,0,1,0|2,0,0]=4 1047 B7R1.1 ClCC1=CC=CS1 LT1710 [1,0,0,0,1,0|2,0,0]=4 1048 B7R1.1 NCC1=CC=CO1 RT4371 [1,0,0,0,1,0|2,0,0]=4 1049 B7R1.1 NCC1=CC=CS1 LT5820 [1,0,0,0,1,0|2,0,0]=4 1050 B7R1.1 NCC1=CSC=C1 YH51468 [1,0,0,0,1,0|2,0,0]=4 1051 B7R1.1 OCC1=CC=CN1 RT14126 [1,0,0,0,1,0|1,1,0]=4 1052 B7R1.1 OCC1=CC=CO1 XJ0217 [1,0,0,0,1,0|1,1,0]=4 1053 B7R1.1 OCC1=CNC=C1 RT14164 [1,0,0,0,1,0|1,1,0]=4 1054 B7R1.1 OCC1=CSC=C1 LT2643 [1,0,0,0,1,0|1,1,0]=4 1055 B7R1.1 SCC1=CC=CO1 LL2412 [1,0,0,0,1,0|1,0,0]=3