0 B13R2.369 BrC1=CC2=CC=CC=C2C=C1Br HR119870 [0,0,0,0,0,0|3,0,0]=3 1 B13R2.369 BrC1=CC2=CC=CC=C2N=C1Br HR114487 [0,0,0,0,0,0|3,0,0]=3 2 B13R2.369 BrC1=CC2=CC=CC=C2N=C1I HR153219 [0,0,0,0,0,0|3,0,0]=3 3 B13R2.369 CC1=C(Br)C=C2C=CC=NC2=C1 HR144289 [0,0,0,0,0,0|4,0,0]=4 4 B13R2.369 CC1=C(Cl)C=C2C=CC=NC2=C1 HR143512 [0,0,0,0,0,0|4,0,0]=4 5 B13R2.369 CC1=C(Cl)C=C2N=CC=CC2=C1 HR154964 [0,0,0,0,0,0|4,0,0]=4 6 B13R2.369 CC1=C(F)C=C2C=NC=CC2=C1 HR104907 [0,0,0,0,0,0|4,0,0]=4 7 B13R2.369 CC1=C(O)C=C2C=CC=NC2=C1 HR33575 [0,0,0,0,0,0|3,0,0]=3 8 B13R2.369 CC1=CC2=CC=CC=C2C=C1C HR142272 [0,0,0,0,0,0|3,0,0]=3 9 B13R2.369 CC1=CC2=CC=CC=C2N=C1Br HR121617 [0,0,0,0,0,0|3,0,0]=3 10 B13R2.369 CC1=CC2=CC=CC=C2N=C1Cl HR132030 [0,0,0,0,0,0|3,0,0]=3 11 B13R2.369 CC1=NC2=CC=CC=C2C=C1Cl HR146442 [0,0,0,0,0,0|3,0,0]=3 12 B13R2.369 CC1=NC2=CC=CC=C2C=C1N HR147334 [0,0,0,0,0,0|3,0,0]=3 13 B13R2.369 CC1=NC2=CC=CC=C2C=C1O HR146469 [0,0,0,0,0,0|2,0,0]=2 14 B13R2.369 CC1=NC2=CC=CC=C2N=C1C HR142855 [0,0,0,0,0,0|4,0,0]=4 15 B13R2.369 CC1=NC2=CC=CC=C2N=C1Cl HR111852 [0,0,0,0,0,0|4,0,0]=4 16 B13R2.369 CC1OC2=C(C=CC=C2)NC1=O HR146367 [0,0,0,0,0,0|2,0,2]=4 17 B13R2.369 ClC1=C(Br)C=C2C=CC=NC2=C1 HR144043 [0,0,0,0,0,0|4,0,0]=4 18 B13R2.369 ClC1=C(Cl)C=C2N=CC=CC2=C1 HR155092 [0,0,0,0,0,0|4,0,0]=4 19 B13R2.369 ClC1=NC2=CC=CC=C2C=C1Br HR111522 [0,0,0,0,0,0|3,0,0]=3 20 B13R2.369 ClC1=NC2=CC=CC=C2C=C1I HR106905 [0,0,0,0,0,0|3,0,0]=3 21 B13R2.369 ClC1=NC2=CC=CC=C2N=C1Cl HR131951 [0,0,0,0,0,0|4,0,0]=4 22 B13R2.369 FC1=C(Br)C=C2C=CC=NC2=C1 HR104448 [0,0,0,0,0,0|4,0,0]=4 23 B13R2.369 FC1=C(Br)C=C2C=NC=CC2=C1 HR155128 [0,0,0,0,0,0|4,0,0]=4 24 B13R2.369 NC1=C(Cl)C=C2C=CC=NC2=C1 HR154955 [0,0,0,0,0,0|4,0,0]=4 25 B13R2.369 NC1=CC2=CC=CC=C2C=C1N HR140719 [0,0,0,0,0,0|3,0,0]=3 26 B13R2.369 NC1=CC2=CC=CC=C2OC1=O HR102651 [0,0,0,0,0,0|1,0,0]=1 27 B13R2.369 NC1=NC2=CC=CC=C2N=C1Cl HR117504 [0,0,0,0,0,0|4,0,0]=4 28 B13R2.369 NC1CC2=CC=CC=C2NC1=O HR106681 [0,0,0,0,0,0|2,0,2]=4 29 B13R2.369 O=C1NC2=C(N=CC=C2)NC1=O HR108925 [0,0,0,0,0,0|3,0,1]=4 30 B13R2.369 O=C1NC2=CC=CC=C2C=C1Br HR109223 [0,0,0,0,0,0|2,0,0]=2 31 B13R2.369 OC1=CC2=CC=CC=C2C=C1O HR136367 [0,0,0,0,0,0|1,0,1]=2 32 B13R2.369 OC1=CC2=CC=CC=C2N=C1Br HR155169 [0,0,0,0,0,0|2,0,0]=2 33 B13R2.369 OC1=NC2=CC=CC=C2N=C1O HR131559 [0,0,0,0,0,0|2,0,1]=3 34 B12R2.24 BrC1=CC2=CC=CC=C2C=C1 HR126215 [1,0,0,0,0,0|2,0,0]=3 35 B12R2.24 BrC1=CC2=CC=CC=C2C=N1 HR104359 [1,0,0,0,0,0|3,0,0]=4 36 B12R2.24 BrC1=CC2=CC=CC=C2N=C1 HR124754 [1,0,0,0,0,0|2,0,0]=3 37 B12R2.24 BrC1=CC2=CC=CC=C2N=N1 HR120448 [1,0,0,0,0,0|3,0,0]=4 38 B12R2.24 BrC1=CC2=CC=CN=C2N=C1 HR32407 [1,0,0,0,0,0|3,0,0]=4 39 B12R2.24 BrC1=CC2=NC=CC=C2N=C1 HR118299 [1,0,0,0,0,0|3,0,0]=4 40 B12R2.24 BrC1=CC=C2C=CC=NC2=C1 HR129602 [1,0,0,0,0,0|3,0,0]=4 41 B12R2.24 BrC1=CC=C2C=CN=CC2=C1 HR32361 [1,0,0,0,0,0|3,0,0]=4 42 B12R2.24 BrC1=CC=C2C=NC=CC2=C1 HR136252 [1,0,0,0,0,0|3,0,0]=4 43 B12R2.24 BrC1=CC=C2N=CC=CC2=C1 HR123473 [1,0,0,0,0,0|3,0,0]=4 44 B12R2.24 BrC1=NC2=CC=CC=C2C=C1 HR123210 [1,0,0,0,0,0|2,0,0]=3 45 B12R2.24 BrC1=NC2=CC=CC=C2N=C1 HR146963 [1,0,0,0,0,0|3,0,0]=4 46 B12R2.24 BrC1=NC2=CC=CN=C2C=C1 HR142588 [1,0,0,0,0,0|3,0,0]=4 47 B12R2.24 Brc1ccc2ncccc2c1 HR154960 [1,0,0,0,0,0|3,0,0]=4 48 B12R2.24 CC1=CC2=CC=CC=C2C=N1 HR147041 [1,0,0,0,0,0|3,0,0]=4 49 B12R2.24 CC1=CC2=CC=CC=C2N=C1 HR136520 [1,0,0,0,0,0|2,0,0]=3 50 B12R2.24 CC1=CC=C2C=CC=NC2=C1 HR5811 [1,0,0,0,0,0|3,0,0]=4 51 B12R2.24 CC1=CC=C2C=NC=CC2=C1 HR155156 [1,0,0,0,0,0|3,0,0]=4 52 B12R2.24 CC1=CC=C2N=CC=CC2=C1 HR146528 [1,0,0,0,0,0|3,0,0]=4 53 B12R2.24 CC1=NC2=CC=CC=C2C=C1 HR5809 [1,0,0,0,0,0|2,0,0]=3 54 B12R2.24 CC1=NC2=CC=CC=C2N=C1 HR125046 [1,0,0,0,0,0|3,0,0]=4 55 B12R2.24 CC1=NC2=CC=CN=C2C=C1 HR120036 [1,0,0,0,0,0|3,0,0]=4 56 B12R2.24 CC1=NC2=CN=CC=C2C=C1 HR146507 [1,0,0,0,0,0|3,0,0]=4 57 B12R2.24 CC1=NC2=NC=CC=C2C=C1 HR121019 [1,0,0,0,0,0|3,0,0]=4 58 B12R2.24 C[n+]1ccc2ccccc2c1 HR155172 [1,0,0,0,0,0|3,0,0]=4 59 B12R2.24 Cc1ccc2ccccc2n1 HR100422 [1,0,0,0,0,0|2,0,0]=3 60 B12R2.24 ClC1=CC2=CC=CC=C2C=C1 HR133266 [1,0,0,0,0,0|2,0,0]=3 61 B12R2.24 ClC1=CC2=CC=CC=C2C=N1 HR105103 [1,0,0,0,0,0|3,0,0]=4 62 B12R2.24 ClC1=CC2=CC=CC=C2N=C1 HR115158 [1,0,0,0,0,0|2,0,0]=3 63 B12R2.24 ClC1=CC=C2C=CC=NC2=C1 HR117057 [1,0,0,0,0,0|3,0,0]=4 64 B12R2.24 ClC1=CC=C2C=CN=CC2=C1 HR107579 [1,0,0,0,0,0|3,0,0]=4 65 B12R2.24 ClC1=CC=C2C=NC=CC2=C1 HR107898 [1,0,0,0,0,0|3,0,0]=4 66 B12R2.24 ClC1=CC=C2N=CC=CC2=C1 HR134403 [1,0,0,0,0,0|3,0,0]=4 67 B12R2.24 ClC1=NC2=CC=CC=C2C=C1 HR130387 [1,0,0,0,0,0|2,0,0]=3 68 B12R2.24 ClC1=NC2=CC=CC=C2C=N1 HR122477 [1,0,0,0,0,0|3,0,0]=4 69 B12R2.24 ClC1=NC2=CC=CC=C2N=C1 HR127731 [1,0,0,0,0,0|3,0,0]=4 70 B12R2.24 ClC1=NC2=CC=NC=C2C=C1 HR121613 [1,0,0,0,0,0|3,0,0]=4 71 B12R2.24 ClC1=NC2=NC=CC=C2C=C1 HR110699 [1,0,0,0,0,0|3,0,0]=4 72 B12R2.24 FC1=CC2=CC=CC=C2C=C1 HR108448 [1,0,0,0,0,0|2,0,0]=3 73 B12R2.24 FC1=CC2=NC=CC=C2N=C1 HR116466 [1,0,0,0,0,0|3,0,0]=4 74 B12R2.24 FC1=CC=C2C=CC=NC2=C1 HR111404 [1,0,0,0,0,0|3,0,0]=4 75 B12R2.24 FC1=CC=C2C=NC=CC2=C1 HR30341 [1,0,0,0,0,0|3,0,0]=4 76 B12R2.24 FC1=CC=C2N=CC=CC2=C1 HR100909 [1,0,0,0,0,0|3,0,0]=4 77 B12R2.24 IC1=CC2=CC=CC=C2C=C1 HR107544 [1,0,0,0,0,0|2,0,0]=3 78 B12R2.24 IC1=CC=C2C=CC=NC2=C1 HR154961 [1,0,0,0,0,0|3,0,0]=4 79 B12R2.24 IC1=CC=C2N=CC=CC2=C1 HR130475 [1,0,0,0,0,0|3,0,0]=4 80 B12R2.24 NC1=CC2=CC=CC=C2C=N1 HR104457 [1,0,0,0,0,0|3,0,0]=4 81 B12R2.24 NC1=CC2=CC=CC=C2N=C1 HR146639 [1,0,0,0,0,0|2,0,0]=3 82 B12R2.24 NC1=CC2=NC=CC=C2N=C1 HR116792 [1,0,0,0,0,0|3,0,0]=4 83 B12R2.24 NC1=CC=C2C=CC=NC2=C1 HR132066 [1,0,0,0,0,0|3,0,0]=4 84 B12R2.24 NC1=CC=C2C=CN=CC2=C1 HR31655 [1,0,0,0,0,0|3,0,0]=4 85 B12R2.24 NC1=CC=C2C=NC=CC2=C1 HR33829 [1,0,0,0,0,0|3,0,0]=4 86 B12R2.24 NC1=CC=C2N=CC=CC2=C1 HR128462 [1,0,0,0,0,0|3,0,0]=4 87 B12R2.24 NC1=NC2=CC=CC=C2C=C1 HR125008 [1,0,0,0,0,0|2,0,0]=3 88 B12R2.24 NC1=NC2=CC=CC=C2C=N1 HR114438 [1,0,0,0,0,0|3,0,0]=4 89 B12R2.24 NC1=NC2=CC=CN=C2C=C1 HR117417 [1,0,0,0,0,0|3,0,0]=4 90 B12R2.24 NC1=NC2=NC=CC=C2C=C1 HR147141 [1,0,0,0,0,0|3,0,0]=4 91 B12R2.24 Nc1ccc2ccccc2c1 HR146664 [1,0,0,0,0,0|2,0,0]=3 92 B12R2.24 Nc1ccc2ncccc2c1 HR143552 [1,0,0,0,0,0|3,0,0]=4 93 B12R2.24 O=C1C=CC2=C(C=CC=C2)O1 HR141776 [1,0,0,0,0,0|0,0,0]=1 94 B12R2.24 O=C1C=CC2=CC=CC=C2O1 HR132377 [1,0,0,0,0,0|0,0,0]=1 95 B12R2.24 O=C1C=CC2=CC=CN=C2N1 HR103860 [1,0,0,0,0,0|2,0,0]=3 96 B12R2.24 O=C1C=CC2=CN=CC=C2N1 HR32202 [1,0,0,0,0,0|2,0,0]=3 97 B12R2.24 O=C1C=CC2=NC=CN=C2N1 HR148105 [1,0,0,0,0,0|3,0,0]=4 98 B12R2.24 O=C1C=NC2=CC=CC=C2N1 HR30112 [1,0,0,0,0,0|2,0,0]=3 99 B12R2.24 O=C1CC2=CC=CC=C2CN1 HR114130 [1,0,0,0,0,0|2,0,1]=4 100 B12R2.24 O=C1CC2=CC=CC=C2CO1 HR133602 [1,0,0,0,0,0|2,0,1]=4 101 B12R2.24 O=C1CCC2=CC=CC=C2C1 HR124845 [1,0,0,0,0,0|1,0,2]=4 102 B12R2.24 O=C1CCC2=CC=CC=C2N1 HR128805 [1,0,0,0,0,0|1,0,2]=4 103 B12R2.24 O=C1CCC2=CC=CC=C2O1 HR127620 [1,0,0,0,0,0|0,0,2]=3 104 B12R2.24 O=C1CNC2=CC=CC=C2N1 LUJB00401 [1,0,0,0,0,0|2,0,1]=4 105 B12R2.24 O=C1COC2=C(C=CC=C2)N1 HR18791 [1,0,0,0,0,0|1,0,2]=4 106 B12R2.24 O=C1COC2=CC=CC=C2C1 HR146278 [1,0,0,0,0,0|0,0,3]=4 107 B12R2.24 O=C1CSC2=C(C=CC=C2)N1 HR144221 [1,0,0,0,0,0|2,0,1]=4 108 B12R2.24 O=C1N=C2C=CC=CC2=CN1 HR108293 [1,0,0,0,0,0|2,0,0]=3 109 B12R2.24 OC1=CC2=CC=CC=C2C=C1 HR135486 [1,0,0,0,0,0|1,0,0]=2 110 B12R2.24 OC1=CC2=CC=CC=C2C=N1 HR104414 [1,0,0,0,0,0|2,0,0]=3 111 B12R2.24 OC1=CC2=CC=CC=C2N=C1 HR142173 [1,0,0,0,0,0|1,0,0]=2 112 B12R2.24 OC1=CC=C2C=CC=NC2=C1 HR123695 [1,0,0,0,0,0|2,0,0]=3 113 B12R2.24 OC1=CC=C2C=CN=CC2=C1 HR30348 [1,0,0,0,0,0|2,0,0]=3 114 B12R2.24 OC1=CC=C2C=NC=CC2=C1 HR32360 [1,0,0,0,0,0|2,0,0]=3 115 B12R2.24 OC1=CC=C2N=CC=CC2=C1 HR130549 [1,0,0,0,0,0|2,0,0]=3 116 B12R2.24 OC1=NC2=CC=CC=C2C=C1 HR100813 [1,0,0,0,0,0|1,0,1]=3 117 B12R2.24 OC1=NC2=CC=CC=C2C=C1 HR127926 [1,0,0,0,0,0|1,0,1]=3 118 B12R2.24 OC1=NC2=CC=CN=C2C=C1 HR32228 [1,0,0,0,0,0|2,0,1]=4 119 B12R2.24 SC1=CC2=CC=CC=C2C=C1 HR137082 [1,0,0,0,0,0|1,1,0]=3 120 B12R2.24 [O-][N+]1=CC2=CC=CC=C2C=C1 HR120606 [1,0,0,0,0,0|2,0,1]=4 121 B14R2.1128 COC1=NC2=CC=CC=C2N=C1Cl HR146590 [0,1,0,0,0,0|3,0,0]=4 122 B14R2.1128 ClCC1=CC2=CC=CC=C2N=C1Cl HR116691 [0,1,0,0,0,0|3,0,0]=4 123 B14R2.1128 N#CC1=CC2=CC=CC=C2NC1=O HR105879 [0,1,0,0,0,0|2,0,0]=3 124 B14R2.1128 N#CC1=CC2=CC=CC=C2OC1=O HR143132 [0,1,0,0,0,0|1,0,0]=2 125 B14R2.1128 O=CC1=C(F)C=C2N=CC=CC2=C1 HR148183 [0,1,0,0,0,0|3,0,0]=4 126 B14R2.1128 O=CC1=CC2=CC=CC=C2N=C1Cl HR133638 [0,1,0,0,0,0|2,0,1]=4 127 B14R2.1128 O=CC1=CC2=CC=CC=C2NC1=O HR114613 [0,1,0,0,0,0|1,0,1]=3 128 B14R2.1128 O=CC1=NC2=CC=CC=C2C=C1Br HR153225 [0,1,0,0,0,0|2,0,0]=3 129 B14R2.8239 CC1=CC=C2NC(=O)C(=O)NC2=C1 HR139470 [0,1,0,0,0,0|2,0,1]=4 130 B14R2.8239 O=C1NC2=CC=C(Cl)C=C2NC1=O HR108980 [0,1,0,0,0,0|2,0,1]=4 131 B14R2.28472 NC1=NC2=C(O)C=CC=C2NC1=O HR119474 [0,1,0,0,0,0|3,0,0]=4 132 B12R1.43 C=C(C)C(=O)OC1=CC=CC=C1 HR138708 [0,0,1,0,0,0|1,0,0]=2 133 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O HR125343 [0,0,1,0,0,0|1,0,1]=3 134 B12R1.43 CC(NC1=CC=CC=C1)C(=O)O HR16952 [0,0,1,0,0,0|2,0,1]=4 135 B12R1.43 CC(OC1=CC=CC=C1)C(=O)O HR104381 [0,0,1,0,0,0|2,0,1]=4 136 B12R1.43 CC(OC1=CC=CC=C1)C(=O)O HR125623 [0,0,1,0,0,0|2,0,1]=4 137 B12R1.43 C\C(=C\C1=CC=CC=C1)C(=O)O HR137111 [0,0,1,0,0,0|1,0,0]=2 138 B12R1.43 C\C(=C\C1=CC=CC=C1)[N+](=O)[O-] HR138129 [0,0,1,0,0,0|2,0,1]=4 139 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O HR123017 [0,0,1,0,0,0|1,0,2]=4 140 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O HR123288 [0,0,1,0,0,0|1,0,2]=4 141 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O HR123548 [0,0,1,0,0,0|1,0,2]=4 142 B12R1.43 O=C(O)C(Br)Cc1ccccc1 HR141710 [0,0,1,0,0,0|1,0,2]=4 143 B12R1.43 O=C(O)C(Cl)Cc1ccccc1 HR104071 [0,0,1,0,0,0|1,0,2]=4 144 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 HR127552 [0,0,1,0,0,0|0,0,2]=3 145 B12R1.43 O=C(O)C(O)Cc1ccccc1 HR6413 [0,0,1,0,0,0|0,0,2]=3 146 B12R1.43 O=C([O-])C(=O)CC1=CC=CC=C1 HR132515 [0,0,1,0,0,0|0,0,3]=4 147 B12R1.43 O=C([O-])C(=O)CC1=CC=CC=C1 HR137442 [0,0,1,0,0,0|0,0,3]=4 148 B12R1.43 O=[N+]([O-])\C(Br)=C/C1=CC=CC=C1 HR144999 [0,0,1,0,0,0|2,0,1]=4 149 B12R2.18 BrC1=C(Br)C2=C(C=CC=C2)S1 HR153185 [0,0,0,0,1,0|2,1,0]=4 150 B12R2.18 CC1=C(Br)C2=C(C=CC=C2)S1 HR147338 [0,0,0,0,1,0|2,1,0]=4 151 B12R2.18 CC1=C(C)C2=C(C=CC=C2)O1 HR100052 [0,0,0,0,1,0|2,0,0]=3 152 B12R2.18 CC1=C(C)C2=CC=CC=C2N1 HR129420 [0,0,0,0,1,0|3,0,0]=4 153 B12R2.18 CC1=CC2=CC=CC=C2N1C HR129172 [0,0,0,0,1,0|3,0,0]=4 154 B12R2.18 CC1C(=O)NC2=CC=CC=C21 HR111811 [0,0,0,0,1,0|2,0,1]=4 155 B12R2.18 CC1CC2=CC=CC=C2C1=O HR122000 [0,0,0,0,1,0|1,0,2]=4 156 B12R2.18 CN1C(=O)CC2=CC=CC=C21 HR144814 [0,0,0,0,1,0|3,0,0]=4 157 B12R2.18 CN1NC2=CC=CC=C2C1=O HR31920 [0,0,0,0,1,0|3,0,0]=4 158 B12R2.18 ClC1=C(Cl)C2=CC=CC=C2N1 HR122052 [0,0,0,0,1,0|3,0,0]=4 159 B12R2.18 O=C1C2=CC=CC=C2CC1Br HR138045 [0,0,0,0,1,0|1,0,2]=4 160 B12R2.18 O=C1NC2=CC=CC=C2C1=O HR126240 [0,0,0,0,1,0|1,0,1]=3 161 B12R2.18 O=C1NC2=NC=CC=C2C1=O HR106691 [0,0,0,0,1,0|2,0,1]=4 162 B12R2.18 OC1=NN2C=CC=CC2=C1Br HR115573 [0,0,0,0,1,0|3,0,0]=4 163 B12R2.100 CC1=C(O)C=C2C=CNC2=N1 HR150143 [0,0,0,0,1,0|3,0,0]=4 164 B12R2.100 OC1=C(F)C=C2NC=CC2=C1 HR102019 [0,0,0,0,1,0|3,0,0]=4 165 B12R2.100 OC1=C(O)C=C2NC=CC2=C1 HR106855 [0,0,0,0,1,0|2,0,1]=4 166 B14R2.741 O=C1N=C2C=CC=CC2=CC=C1I HR101660 [0,0,0,0,0,1|2,0,0]=3 167 B11R1.40 C=CC(=O)OC1=CC=CC=C1 HR117635 [1,0,1,0,0,0|0,0,0]=2 168 B11R1.40 C\C(C=O)=C\C1=CC=CC=C1 HR137989 [1,0,1,0,0,0|1,0,0]=3 169 B11R1.40 O=C(CBr)OC1=CC=CC=C1 HR138448 [1,0,1,0,0,0|1,0,1]=4 170 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 HR126722 [1,0,1,0,0,0|1,0,0]=3 171 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 HR129858 [1,0,1,0,0,0|1,0,0]=3 172 B11R1.91 N=C(N)\C=C\c1ccccc1 HR105980 [1,0,1,0,0,0|2,0,0]=4 173 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 HR136314 [1,0,1,0,0,0|1,0,0]=3 174 B11R1.91 O=C(Cl)\C=C\C1=CC=CC=C1 HR136827 [1,0,1,0,0,0|1,0,0]=3 175 B11R1.91 O=C(O)C#CC1=CC=CC=C1 HR141100 [1,0,1,0,0,0|0,0,2]=4 176 B11R1.91 O=C(O)CCC1=CC=CC=C1 HR131731 [1,0,1,0,0,0|0,0,2]=4 177 B11R1.91 O=C(O)CNC1=CC=CC=C1 HR128051 [1,0,1,0,0,0|1,0,1]=4 178 B11R1.91 O=C(O)COC1=CC=CC=C1 HR130671 [1,0,1,0,0,0|1,0,1]=4 179 B11R1.91 O=C(O)CSC1=CC=CC=C1 HR135052 [1,0,1,0,0,0|1,0,1]=4 180 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 HR101436 [1,0,1,0,0,0|0,0,0]=2 181 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 HR136574 [1,0,1,0,0,0|0,0,0]=2 182 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 HR140259 [1,0,1,0,0,0|1,0,0]=3 183 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 HR145699 [1,0,1,0,0,0|1,0,0]=3 184 B11R1.91 O=C(O)\C=C\C1=CC=NC=C1 HR125940 [1,0,1,0,0,0|1,0,0]=3 185 B11R1.91 O=C(O)\C=C\c1ccncc1 HR135503 [1,0,1,0,0,0|1,0,0]=3 186 B11R1.91 O=C([O-])\C=C\C1=CC=CC=C1 HR137106 [1,0,1,0,0,0|0,0,1]=3 187 B11R1.91 O=[N+]([O-])\C=C\C1=CC=CC=C1 HR34101 [1,0,1,0,0,0|1,0,1]=4 188 B11R1.91 OB(O)\C=C\C1=CC=CC=C1 HR32386 [1,0,1,0,0,0|1,0,1]=4 189 B11R1.41 O=CNC1=C(C=O)C=CC=C1 HR100254 [1,0,1,0,0,0|1,0,1]=4 190 B11R1.17 CC1=C(\C=C\C=O)C=CC=C1 HR105695 [1,0,1,0,0,0|1,0,0]=3 191 B11R1.17 O=C\C=C\C1=C(Br)C=CC=C1 HR125426 [1,0,1,0,0,0|1,0,0]=3 192 B11R1.17 O=C\C=C\C1=C(Br)C=CC=C1 HR139951 [1,0,1,0,0,0|1,0,0]=3 193 B11R1.17 O=C\C=C\C1=C(F)C=CC=C1 HR140837 [1,0,1,0,0,0|1,0,0]=3 194 B11R1.86 CC(=O)NC1=C(O)C=CC=C1 HR128938 [1,0,1,0,0,0|2,0,0]=4 195 B11R1.86 CC(=O)Oc1ccccc1C HR144591 [1,0,1,0,0,0|0,0,2]=4 196 B11R1.86 CC1=C(CC(=O)O)C=CC=C1 HR133457 [1,0,1,0,0,0|1,0,1]=4 197 B11R1.86 NC1=C(CC(=O)O)C=CC=C1 HR117658 [1,0,1,0,0,0|1,0,1]=4 198 B11R1.86 O=C(Cl)OC1=C(Cl)C=CC=C1 HR129645 [1,0,1,0,0,0|2,0,0]=4 199 B11R1.86 O=C(O)CC1=C(Br)C=CC=C1 HR133443 [1,0,1,0,0,0|1,0,1]=4 200 B11R1.86 O=C(O)CC1=C(Cl)C=CC=C1 HR123068 [1,0,1,0,0,0|1,0,1]=4 201 B11R1.86 O=C(O)CC1=C(F)C=CC=C1 HR138643 [1,0,1,0,0,0|1,0,1]=4 202 B11R1.86 O=C(O)CC1=C(I)C=CC=C1 HR125205 [1,0,1,0,0,0|1,0,1]=4 203 B11R1.86 O=C(O)CC1=C(O)C=CC=C1 HR128916 [1,0,1,0,0,0|0,0,1]=3 204 B11R2.20 C1=CC2=C(C=C1)ONC=C2 HR100114 [2,0,0,0,0,0|1,0,0]=3 205 B11R2.20 C1=CC2=CN=CC=C2N=C1 HR32356 [2,0,0,0,0,0|2,0,0]=4 206 B11R2.20 C1=CC=C2C=NC=CC2=C1 HR147063 [2,0,0,0,0,0|2,0,0]=4 207 B11R2.20 C1=CC=C2N=CC=CC2=C1 HR147709 [2,0,0,0,0,0|1,0,0]=3 208 B11R2.20 C1=CC=C2N=CC=NC2=C1 HR127378 [2,0,0,0,0,0|2,0,0]=4 209 B11R2.20 C1=CC=C2N=CN=CC2=C1 HR126318 [2,0,0,0,0,0|2,0,0]=4 210 B11R2.20 C1=CN=C2C=CC=NC2=C1 HR32788 [2,0,0,0,0,0|2,0,0]=4 211 B11R2.20 C1=CN=C2N=CC=CC2=C1 HR100581 [2,0,0,0,0,0|2,0,0]=4 212 B13R1.133 C=C(C)C(=O)OC1=CC=C(O)C=C1 HR111376 [0,1,1,0,0,0|1,0,0]=3 213 B13R1.133 O=C(O)C(=O)CC1=CC=C(O)C=C1 HR123685 [0,1,1,0,0,0|0,0,2]=4 214 B13R1.133 O=C(O)C(O)CC1=CC=C(O)C=C1 HR105855 [0,1,1,0,0,0|0,0,2]=4 215 B13R1.133 O=C(O)C(O)CC1=CC=C(O)C=C1 HR129363 [0,1,1,0,0,0|0,0,2]=4 216 B13R1.135 C=C(CC1=CC=CC=C1)C(=O)OC HR125602 [0,1,1,0,0,0|1,0,1]=4 217 B13R1.135 COC(=O)C(O)CC1=CC=CC=C1 HR128232 [0,1,1,0,0,0|0,0,2]=4 218 B13R1.135 COC(=O)C(O)CC1=CC=CC=C1 HR147286 [0,1,1,0,0,0|0,0,2]=4 219 B13R1.135 COC(=O)C(O)CC1=CC=CC=C1 HR148578 [0,1,1,0,0,0|0,0,2]=4 220 B13R1.152 NC(C1=CC=CC=C1)C(O)C(=O)O HR138553 [0,1,1,0,0,0|0,0,2]=4 221 B13R1.152 NC(C1=CC=CC=C1)C(O)C(=O)O HR139387 [0,1,1,0,0,0|0,0,2]=4 222 B13R1.152 O=C(O)C(=O)C(=O)C1=CC=CC=C1 HR132260 [0,1,1,0,0,0|0,0,1]=3 223 B13R1.152 O=C(O)\C(Br)=C(\Br)C1=CC=CC=C1 HR101649 [0,1,1,0,0,0|1,0,0]=3 224 B13R1.418 O=C(O)C(CO)Cc1ccccc1 DEJL02505 [0,1,1,0,0,0|0,0,2]=4 225 B13R2.32 BrC1=C(Br)C2=CC=CC=C2C=C1 HR121445 [1,1,0,0,0,0|2,0,0]=4 226 B13R2.32 CC1=C(Br)C2=CC=CC=C2C=C1 HR139559 [1,1,0,0,0,0|2,0,0]=4 227 B13R2.32 CC1=C(Cl)C2=CC=CC=C2N=C1 HR119128 [1,1,0,0,0,0|2,0,0]=4 228 B13R2.32 CC1=C(O)C=NC2=CC=CC=C21 HR146470 [1,1,0,0,0,0|1,0,0]=3 229 B13R2.32 ClC1=C(Br)C=NC2=CC=CC=C21 HR102834 [1,1,0,0,0,0|2,0,0]=4 230 B13R2.32 ClC1=C(I)C=NC2=CC=CC=C21 HR107036 [1,1,0,0,0,0|2,0,0]=4 231 B13R2.32 FC1=C(Br)C=CC2=CC=CC=C21 HR106551 [1,1,0,0,0,0|2,0,0]=4 232 B13R2.32 NC1=C(Br)C2=CC=CC=C2C=C1 HR33510 [1,1,0,0,0,0|2,0,0]=4 233 B13R2.32 NC1=C(Br)C=NC2=CC=CC=C21 HR142978 [1,1,0,0,0,0|2,0,0]=4 234 B13R2.32 NC1=C(Cl)C2=CC=CC=C2N=C1 HR155152 [1,1,0,0,0,0|2,0,0]=4 235 B13R2.32 NC1=C(N)C2=CC=CC=C2N=C1 HR155043 [1,1,0,0,0,0|2,0,0]=4 236 B13R2.32 NC1=C(O)C=CC2=CC=CC=C21 HR100471 [1,1,0,0,0,0|1,0,0]=3 237 B13R2.32 NC1=C(O)C=CC2=CC=CC=C21 HR142557 [1,1,0,0,0,0|1,0,0]=3 238 B13R2.32 O=C1C=CC2=CC=CC=C2C1=O HR103457 [1,1,0,0,0,0|1,0,0]=3 239 B13R2.32 OC1=C(Br)C2=CC=CC=C2C=C1 HR106332 [1,1,0,0,0,0|1,0,0]=3 240 B13R2.32 OC1=C(Br)C=CC2=CC=CC=C21 HR33196 [1,1,0,0,0,0|2,0,0]=4 241 B13R2.32 OC1=C(Cl)C2=CC=CC=C2C=C1 HR106017 [1,1,0,0,0,0|1,0,0]=3 242 B13R2.32 OC1=C(I)C2=CC=CC=C2C=C1 HR107159 [1,1,0,0,0,0|1,0,0]=3 243 B13R2.32 OC1=CC=C2C=CC=NC2=C1Br HR140644 [1,1,0,0,0,0|2,0,0]=4 244 B13R2.32 OC1=CC=C2C=CN=CC2=C1Br HR33925 [1,1,0,0,0,0|2,0,0]=4 245 B13R2.57 BrCC1=CC2=CC=CC=C2C=C1 HR134032 [1,1,0,0,0,0|2,0,0]=4 246 B13R2.57 BrCC1=CC2=CC=CC=C2N=C1 HR116558 [1,1,0,0,0,0|2,0,0]=4 247 B13R2.57 BrCC1=NC2=CC=CC=C2C=C1 HR114143 [1,1,0,0,0,0|2,0,0]=4 248 B13R2.57 C#CC1=CC2=CC=CC=C2C=C1 HR109950 [1,1,0,0,0,0|2,0,0]=4 249 B13R2.57 C=CC1=CC2=CC=CC=C2C=C1 HR127711 [1,1,0,0,0,0|2,0,0]=4 250 B13R2.57 CCC1=CC2=CC=CC=C2N=C1 HR142533 [1,1,0,0,0,0|2,0,0]=4 251 B13R2.57 COC1=CC2=CC=CC=C2C=C1 HR126746 [1,1,0,0,0,0|1,0,0]=3 252 B13R2.57 COC1=CC2=CC=CC=C2N=C1 HR115467 [1,1,0,0,0,0|1,0,0]=3 253 B13R2.57 COC1=CC=C2C=CC=NC2=C1 HR139828 [1,1,0,0,0,0|2,0,0]=4 254 B13R2.57 COC1=CC=C2C=CN=CC2=C1 HR110390 [1,1,0,0,0,0|2,0,0]=4 255 B13R2.57 COC1=CC=C2C=NC=CC2=C1 HR138017 [1,1,0,0,0,0|2,0,0]=4 256 B13R2.57 COC1=CC=C2N=CC=CC2=C1 HR127148 [1,1,0,0,0,0|2,0,0]=4 257 B13R2.57 COC1=NC2=CC=CC=C2C=C1 HR140305 [1,1,0,0,0,0|1,0,1]=4 258 B13R2.57 COc1ccc2cnccc2c1 HR155104 [1,1,0,0,0,0|2,0,0]=4 259 B13R2.57 ClCC1=CC2=CC=CC=C2C=C1 HR129159 [1,1,0,0,0,0|2,0,0]=4 260 B13R2.57 ClCC1=NC2=CC=CC=C2C=C1 HR131783 [1,1,0,0,0,0|2,0,0]=4 261 B13R2.57 N#CC1=CC2=CC=CC=C2C=C1 HR142273 [1,1,0,0,0,0|2,0,0]=4 262 B13R2.57 N#CC1=CC2=CC=CC=C2N=C1 HR141902 [1,1,0,0,0,0|2,0,0]=4 263 B13R2.57 N#CC1=NC2=CC=CC=C2C=C1 HR109260 [1,1,0,0,0,0|2,0,0]=4 264 B13R2.57 NCC1=CC2=CC=CC=C2N=C1 HR112711 [1,1,0,0,0,0|2,0,0]=4 265 B13R2.57 NCC1=NC2=CC=CC=C2C=C1 HR110455 [1,1,0,0,0,0|2,0,0]=4 266 B13R2.57 NCc1ccc2ccccc2c1 HR119026 [1,1,0,0,0,0|2,0,0]=4 267 B13R2.57 NNC1=CC2=CC=CC=C2C=C1 HR133236 [1,1,0,0,0,0|2,0,0]=4 268 B13R2.57 NNc1ccc2ccccc2c1 HR125777 [1,1,0,0,0,0|2,0,0]=4 269 B13R2.57 O=CC1=CC2=CC=CC=C2C=C1 HR135770 [1,1,0,0,0,0|1,0,0]=3 270 B13R2.57 O=CC1=CC2=CC=CC=C2C=N1 HR102802 [1,1,0,0,0,0|2,0,0]=4 271 B13R2.57 O=CC1=CC2=CC=CC=C2N=C1 HR134019 [1,1,0,0,0,0|1,0,1]=4 272 B13R2.57 O=CC1=CC=C2C=CC=NC2=C1 HR127373 [1,1,0,0,0,0|2,0,0]=4 273 B13R2.57 O=CC1=CC=C2N=CC=CC2=C1 HR131449 [1,1,0,0,0,0|2,0,0]=4 274 B13R2.57 O=CC1=NC2=CC=CC=C2C=C1 TIJL00803 [1,1,0,0,0,0|1,0,0]=3 275 B13R2.57 O=CC1=NC2=CC=CC=C2N=C1 HR120863 [1,1,0,0,0,0|2,0,0]=4 276 B13R2.57 O=CC1=NC2=CN=CC=C2C=C1 HR146508 [1,1,0,0,0,0|2,0,0]=4 277 B13R2.57 O=CC1=NC2=NC=CC=C2C=C1 HR146505 [1,1,0,0,0,0|2,0,0]=4 278 B13R2.57 OCC1=CC2=CC=CC=C2C=C1 HR132727 [1,1,0,0,0,0|1,0,0]=3 279 B13R2.57 OCC1=CC2=CC=CC=C2C=N1 HR148067 [1,1,0,0,0,0|2,0,0]=4 280 B13R2.57 OCC1=CC=C2N=CC=CC2=C1 HR123747 [1,1,0,0,0,0|2,0,0]=4 281 B13R2.57 OCC1=NC2=CC=CC=C2C=C1 HR127763 [1,1,0,0,0,0|1,0,1]=4 282 B13R2.57 [C-]#[N+]c1ccc2ccccc2c1 HR30106 [1,1,0,0,0,0|2,0,0]=4 283 B13R2.155 BrC1=CC=C2C=CC(Br)=CC2=C1 HR119549 [1,1,0,0,0,0|2,0,0]=4 284 B13R2.155 BrC1=CC=C2N=CC(Br)=CC2=C1 HR109112 [1,1,0,0,0,0|2,0,0]=4 285 B13R2.155 CC1=CC=C2C=CC(=O)C=C2N1 HR140110 [1,1,0,0,0,0|2,0,0]=4 286 B13R2.155 CC1=CC=C2C=CC(C)=NC2=C1 HR154938 [1,1,0,0,0,0|2,0,0]=4 287 B13R2.155 CC1=NC2=CC(Br)=CC=C2C=C1 HR110063 [1,1,0,0,0,0|2,0,0]=4 288 B13R2.155 CC1=NC2=CC(Cl)=CC=C2C=C1 HR130724 [1,1,0,0,0,0|2,0,0]=4 289 B13R2.155 CC1=NC2=CC(F)=CC=C2C=C1 HR130912 [1,1,0,0,0,0|2,0,0]=4 290 B13R2.155 CC1=NC2=CC(N)=CC=C2C=C1 HR142638 [1,1,0,0,0,0|2,0,0]=4 291 B13R2.155 CC1=NC2=CC(N)=CC=C2C=C1 HR154940 [1,1,0,0,0,0|2,0,0]=4 292 B13R2.155 ClC1=NC2=CC(Br)=CC=C2C=C1 HR30353 [1,1,0,0,0,0|2,0,0]=4 293 B13R2.155 NC1=CC=C2N=CC(Br)=CC2=C1 HR110716 [1,1,0,0,0,0|2,0,0]=4 294 B13R2.155 NC1=NC2=CC(Br)=CC=C2C=C1 HR33675 [1,1,0,0,0,0|2,0,0]=4 295 B13R2.155 O=C1C=CC2=CC=C(Br)C=C2N1 HR117835 [1,1,0,0,0,0|1,0,0]=3 296 B13R2.155 O=C1C=CC2=CC=C(Cl)C=C2N1 HR107206 [1,1,0,0,0,0|1,0,0]=3 297 B13R2.155 O=C1C=CC2=CC=C(O)C=C2N1 HR32216 [1,1,0,0,0,0|1,0,0]=3 298 B13R2.155 O=C1C=NC2=CC=C(Br)C=C2N1 HR119387 [1,1,0,0,0,0|2,0,0]=4 299 B13R2.155 OC1=CC2=CC(Br)=CC=C2C=C1 HR118618 [1,1,0,0,0,0|1,0,0]=3 300 B13R2.155 OC1=CC2=CC(Br)=CC=C2C=N1 HR148590 [1,1,0,0,0,0|2,0,0]=4 301 B13R2.155 OC1=CC2=CC(Br)=CC=C2N=C1 HR104558 [1,1,0,0,0,0|1,0,0]=3 302 B13R2.155 OC1=CC=C2C=CC(O)=CC2=C1 HR122277 [1,1,0,0,0,0|1,0,0]=3 303 B13R2.155 SC1=CC=C2C=CC(S)=CC2=C1 HR115725 [1,1,0,0,0,0|1,1,0]=4 304 B13R2.162 BrC1=CC=C2C=CC=C(Br)C2=C1 HR120175 [1,1,0,0,0,0|2,0,0]=4 305 B13R2.162 CC1=C2N=C(Br)C=CC2=CC=C1 HR146443 [1,1,0,0,0,0|2,0,0]=4 306 B13R2.162 CC1=C2N=C(Cl)C=CC2=CC=C1 HR146444 [1,1,0,0,0,0|2,0,0]=4 307 B13R2.162 CC1=C2NC(=O)C=CC2=CC=C1 HR155040 [1,1,0,0,0,0|1,0,0]=3 308 B13R2.162 CC1=CC=C2C=CC=C(C)C2=C1 HR141978 [1,1,0,0,0,0|2,0,0]=4 309 B13R2.162 CC1=NC2=C(Br)C=CC=C2C=C1 HR144386 [1,1,0,0,0,0|2,0,0]=4 310 B13R2.162 CC1=NC2=C(C)C=CC=C2C=C1 HR140425 [1,1,0,0,0,0|2,0,0]=4 311 B13R2.162 CC1=NC2=C(Cl)C=CC=C2C=C1 HR143417 [1,1,0,0,0,0|2,0,0]=4 312 B13R2.162 CC1=NC2=C(N)C=CC=C2C=C1 HR128192 [1,1,0,0,0,0|2,0,0]=4 313 B13R2.162 CC1=NC2=C(O)C=CC=C2C=C1 HR127119 [1,1,0,0,0,0|2,0,0]=4 314 B13R2.162 ClC1=NC2=C(Br)C=CC=C2C=C1 HR103144 [1,1,0,0,0,0|2,0,0]=4 315 B13R2.162 ClC1=NC2=C(Cl)C=CC=C2C=C1 HR105218 [1,1,0,0,0,0|2,0,0]=4 316 B13R2.162 NC1=CC=CC2=C1C=C(Br)C=N2 HR155171 [1,1,0,0,0,0|2,0,0]=4 317 B13R2.162 NC1=CC=CC2=CC=C(O)C=C12 HR137177 [1,1,0,0,0,0|1,0,0]=3 318 B13R2.162 NC1=NC2=C(Br)C=CC=C2C=C1 HR32194 [1,1,0,0,0,0|2,0,0]=4 319 B13R2.162 NC1=NC2=C(O)C=CC=C2C=C1 HR106530 [1,1,0,0,0,0|2,0,0]=4 320 B13R2.162 O=C1C=CC2=C(O1)C(Br)=CC=C2 HR147884 [1,1,0,0,0,0|0,0,0]=2 321 B13R2.162 O=C1C=CC2=CC=CC(Br)=C2N1 HR30346 [1,1,0,0,0,0|1,0,0]=3 322 B13R2.162 O=C1C=CC2=CC=CC(Cl)=C2N1 HR105534 [1,1,0,0,0,0|1,0,0]=3 323 B13R2.162 O=C1C=CC2=CC=CC(F)=C2N1 HR155133 [1,1,0,0,0,0|1,0,0]=3 324 B13R2.162 O=C1C=CC2=CN=CC(Br)=C2N1 HR104415 [1,1,0,0,0,0|2,0,0]=4 325 B13R2.162 O=C1C=CC=C2NC=C(Br)C=C12 HR155044 [1,1,0,0,0,0|2,0,0]=4 326 B13R2.162 O=C1C=CNC2=CC=C(O)C=C12 HR114845 [1,1,0,0,0,0|2,0,0]=4 327 B13R2.162 OC1=CC=C2C=CC=C(O)C2=C1 HR138902 [1,1,0,0,0,0|1,0,0]=3 328 B13R2.162 OC1=CC=C2C=CN=C(Cl)C2=C1 HR33944 [1,1,0,0,0,0|2,0,0]=4 329 B13R2.162 OC1=CC=C2N=CC=C(Cl)C2=C1 HR107997 [1,1,0,0,0,0|2,0,0]=4 330 B13R2.162 OC1=NC2=C(O)C=CC=C2C=C1 CRCQ00505 [1,1,0,0,0,0|1,0,1]=4 331 B13R2.328 BrC1=CC2=CC=CC=C2C(Br)=C1 HR121126 [1,1,0,0,0,0|2,0,0]=4 332 B13R2.328 CC1=CC(=O)NC2=CC=CC=C12 HR140324 [1,1,0,0,0,0|1,0,0]=3 333 B13R2.328 CC1=CC(Br)=CC2=CC=CC=C12 HR121259 [1,1,0,0,0,0|2,0,0]=4 334 B13R2.328 CC1=CC(Br)=NC2=CC=CC=C12 HR120986 [1,1,0,0,0,0|2,0,0]=4 335 B13R2.328 CC1=CC(C)=NC2=CC=CC=C12 HR122267 [1,1,0,0,0,0|2,0,0]=4 336 B13R2.328 CC1=CC(Cl)=NC2=CC=CC=C12 HR114558 [1,1,0,0,0,0|2,0,0]=4 337 B13R2.328 CC1=CC(O)=NC2=CC=CC=C12 HR146529 [1,1,0,0,0,0|1,0,1]=4 338 B13R2.328 CC1=CC2=CC=CC=C2[N+]([O-])=C1 HR102732 [1,1,0,0,0,0|2,0,0]=4 339 B13R2.328 CC1=NC2=CC=CC=C2C(Br)=C1 HR117200 [1,1,0,0,0,0|2,0,0]=4 340 B13R2.328 CC1=NC2=CC=CC=C2C(Cl)=C1 HR131465 [1,1,0,0,0,0|2,0,0]=4 341 B13R2.328 CC1=NC2=CC=CC=C2C(N)=C1 HR132862 [1,1,0,0,0,0|2,0,0]=4 342 B13R2.328 CC1=NC2=CC=CC=C2C(O)=C1 HR118025 [1,1,0,0,0,0|2,0,0]=4 343 B13R2.328 ClC1=CC(Br)=NC2=CC=CC=C12 HR121309 [1,1,0,0,0,0|2,0,0]=4 344 B13R2.328 ClC1=CC(Cl)=NC2=CC=CC=C12 HR114264 [1,1,0,0,0,0|2,0,0]=4 345 B13R2.328 FC1=CC(Br)=CC2=CC=CC=C12 HR106243 [1,1,0,0,0,0|2,0,0]=4 346 B13R2.328 NC1=CC(=O)NC2=CC=CC=C12 HR147412 [1,1,0,0,0,0|1,0,0]=3 347 B13R2.328 NC1=CC(Br)=NC2=CC=CC=C12 HR31907 [1,1,0,0,0,0|2,0,0]=4 348 B13R2.328 NC1=NC2=CC=CC=C2C(Br)=C1 HR30343 [1,1,0,0,0,0|2,0,0]=4 349 B13R2.328 NC1=NC2=CC=CC=C2C(Cl)=C1 HR32277 [1,1,0,0,0,0|2,0,0]=4 350 B13R2.328 NC1=NC2=CC=CC=C2C(O)=C1 HR32273 [1,1,0,0,0,0|2,0,0]=4 351 B13R2.328 O=C1C=C(Br)C2=CC=CC=C2N1 HR110574 [1,1,0,0,0,0|1,0,0]=3 352 B13R2.328 O=C1C=C(O)C2=CC=CC=C2N1 HR130257 [1,1,0,0,0,0|1,0,0]=3 353 B13R2.328 O=C1C=C(O)C2=CC=CC=C2O1 TEJB02204 [1,1,0,0,0,0|0,0,0]=2 354 B13R2.328 O=C1CC2=CC=CC=C2C(=O)N1 HR110073 [1,1,0,0,0,0|2,0,0]=4 355 B13R2.328 O=C1CC2=CC=CC=C2C(=O)O1 HR108671 [1,1,0,0,0,0|2,0,0]=4 356 B13R2.328 O=C1NC(=O)C2=C(C=CC=C2)O1 HR115010 [1,1,0,0,0,0|1,0,0]=3 357 B13R2.328 O=C1NC2=C(C=CC=C2)C(=O)O1 HR136649 [1,1,0,0,0,0|2,0,0]=4 358 B13R2.328 OC1=CC(Cl)=C2N=CC=CC2=C1 HR154932 [1,1,0,0,0,0|2,0,0]=4 359 B13R2.328 OC1=CC(Cl)=NC2=CC=CC=C12 HR147272 [1,1,0,0,0,0|2,0,0]=4 360 B13R2.328 OC1=CC(O)=NC2=CC=CC=C12 HR107416 [1,1,0,0,0,0|1,0,1]=4 361 B13R2.328 OC1=CC2=CC=CC=C2C(O)=C1 HR105700 [1,1,0,0,0,0|1,0,0]=3 362 B13R2.328 [O-][N+]1=CC(Br)=CC2=CC=CC=C21 HR155885 [1,1,0,0,0,0|2,0,0]=4 363 B13R2.3683 BrC1=CC2=CC=C(I)C=C2C=C1 HR142929 [1,1,0,0,0,0|2,0,0]=4 364 B13R2.3683 BrC1=CC=C2C=C(Br)C=CC2=C1 HR127703 [1,1,0,0,0,0|2,0,0]=4 365 B13R2.3683 CC1=CC2=CC=C(O)C=C2C=N1 HR110546 [1,1,0,0,0,0|2,0,0]=4 366 B13R2.3683 CC1=CC=C2C=C(O)C=CC2=C1 HR32411 [1,1,0,0,0,0|1,0,0]=3 367 B13R2.3683 CC1=CC=C2N=C(Br)C=CC2=C1 HR104197 [1,1,0,0,0,0|2,0,0]=4 368 B13R2.3683 CC1=CC=C2N=C(C)C=CC2=C1 HR144113 [1,1,0,0,0,0|2,0,0]=4 369 B13R2.3683 CC1=CC=C2N=C(Cl)C=CC2=C1 HR103885 [1,1,0,0,0,0|2,0,0]=4 370 B13R2.3683 CC1=CC=C2NC(=O)C=CC2=C1 HR139923 [1,1,0,0,0,0|1,0,0]=3 371 B13R2.3683 CC1=CC=C2OC(=O)C=CC2=C1 HR123410 [1,1,0,0,0,0|0,0,0]=2 372 B13R2.3683 CC1=NC2=CC=C(Br)C=C2C=C1 HR114765 [1,1,0,0,0,0|2,0,0]=4 373 B13R2.3683 CC1=NC2=CC=C(Cl)C=C2C=C1 HR143897 [1,1,0,0,0,0|2,0,0]=4 374 B13R2.3683 CC1=NC2=CC=C(F)C=C2C=C1 HR140525 [1,1,0,0,0,0|2,0,0]=4 375 B13R2.3683 CC1=NC2=CC=C(N)C=C2C=C1 HR118053 [1,1,0,0,0,0|2,0,0]=4 376 B13R2.3683 CC1=NC2=CC=C(O)C=C2C=C1 HR115825 [1,1,0,0,0,0|2,0,0]=4 377 B13R2.3683 ClC1=CC2=CC=C(Br)C=C2N=C1 HR146334 [1,1,0,0,0,0|2,0,0]=4 378 B13R2.3683 ClC1=CC=C2C=C(Br)C=CC2=C1 HR120629 [1,1,0,0,0,0|2,0,0]=4 379 B13R2.3683 ClC1=CC=C2C=C(Br)C=NC2=C1 HR146333 [1,1,0,0,0,0|2,0,0]=4 380 B13R2.3683 ClC1=CC=C2N=C(Br)C=CC2=C1 HR107086 [1,1,0,0,0,0|2,0,0]=4 381 B13R2.3683 ClC1=CC=C2N=C(Cl)C=CC2=C1 HR117139 [1,1,0,0,0,0|2,0,0]=4 382 B13R2.3683 ClC1=NC2=CC=C(Br)C=C2C=C1 HR114721 [1,1,0,0,0,0|2,0,0]=4 383 B13R2.3683 FC1=CC=C2C=C(Br)C=CC2=C1 HR125672 [1,1,0,0,0,0|2,0,0]=4 384 B13R2.3683 NC1=CC2=CC=C(Br)C=C2C=C1 HR110536 [1,1,0,0,0,0|2,0,0]=4 385 B13R2.3683 NC1=CC2=CC=C(Cl)C=C2N=C1 HR145984 [1,1,0,0,0,0|2,0,0]=4 386 B13R2.3683 NC1=CC2=CC=C(F)C=C2C=C1 HR30263 [1,1,0,0,0,0|2,0,0]=4 387 B13R2.3683 NC1=CC=C2C=C(Br)C=NC2=C1 HR153397 [1,1,0,0,0,0|2,0,0]=4 388 B13R2.3683 NC1=CC=C2NC(=O)C=CC2=C1 HR32208 [1,1,0,0,0,0|1,0,0]=3 389 B13R2.3683 NC1=CC=C2NC(=O)C=NC2=C1 HR34014 [1,1,0,0,0,0|2,0,0]=4 390 B13R2.3683 NC1=NC2=CC=C(Br)C=C2C=C1 HR145943 [1,1,0,0,0,0|2,0,0]=4 391 B13R2.3683 NC1=NC2=CC=C(Cl)C=C2C=C1 HR117533 [1,1,0,0,0,0|2,0,0]=4 392 B13R2.3683 O=C1C=CC2=CC(Br)=CC=C2N1 HR30347 [1,1,0,0,0,0|1,0,0]=3 393 B13R2.3683 O=C1C=CC2=CC(Br)=CC=C2O1 HR148098 [1,1,0,0,0,0|0,0,0]=2 394 B13R2.3683 O=C1C=CC2=CC(Cl)=CC=C2N1 HR139485 [1,1,0,0,0,0|1,0,0]=3 395 B13R2.3683 O=C1C=CC2=CC(F)=CC=C2N1 HR155103 [1,1,0,0,0,0|1,0,0]=3 396 B13R2.3683 O=C1C=CC2=CC(O)=CC=C2N1 HR111351 [1,1,0,0,0,0|1,0,0]=3 397 B13R2.3683 O=C1C=CC2=CC(O)=CC=C2O1 HR135472 [1,1,0,0,0,0|0,0,0]=2 398 B13R2.3683 O=C1C=NC2=CC(Br)=CC=C2N1 HR106706 [1,1,0,0,0,0|2,0,0]=4 399 B13R2.3683 O=C1C=NC2=CC(F)=CC=C2N1 HR147750 [1,1,0,0,0,0|2,0,0]=4 400 B13R2.3683 O=C1CCC2=CC(Br)=CC=C2O1 HR33657 [1,1,0,0,0,0|0,0,2]=4 401 B13R2.3683 O=C1N=CC2=CC(Br)=CC=C2N1 HR131009 [1,1,0,0,0,0|2,0,0]=4 402 B13R2.3683 OC1=CC2=CC=C(Br)C=C2C=C1 HR137321 [1,1,0,0,0,0|1,0,0]=3 403 B13R2.3683 OC1=CC2=CC=C(Cl)C=C2C=C1 HR30376 [1,1,0,0,0,0|1,0,0]=3 404 B13R2.3683 OC1=CC2=CC=C(F)C=C2C=C1 HR30264 [1,1,0,0,0,0|1,0,0]=3 405 B13R2.3683 OC1=CC=C2C=C(Br)C=NC2=C1 HR153396 [1,1,0,0,0,0|2,0,0]=4 406 B13R2.3683 OC1=CC=C2C=C(O)C=CC2=C1 HR133350 [1,1,0,0,0,0|1,0,0]=3 407 B13R2.3683 OC1=NC2=CC=C(Cl)C=C2N=C1 HR132413 [1,1,0,0,0,0|2,0,0]=4 408 B13R2.3683 SC1=CC2=CC=C(Cl)C=C2C=C1 HR140306 [1,1,0,0,0,0|1,1,0]=4 409 B13R2.3683 SC1=CC=C2C=C(S)C=CC2=C1 HR116040 [1,1,0,0,0,0|1,1,0]=4 410 B13R2.5179 BrC1=C2N=CC(I)=CC2=CC=C1 HR31933 [1,1,0,0,0,0|2,0,0]=4 411 B13R2.5179 BrC1=CC=C2C(Br)=CC=CC2=C1 HR120498 [1,1,0,0,0,0|2,0,0]=4 412 B13R2.5179 CC1=CC=C2C(=O)C=CC=C2N1 HR140204 [1,1,0,0,0,0|2,0,0]=4 413 B13R2.5179 CC1=CC=C2C(N)=CC=CC2=C1 HR33965 [1,1,0,0,0,0|2,0,0]=4 414 B13R2.5179 CC1=NC2=C(C=C1)C(N)=CC=C2 HR142538 [1,1,0,0,0,0|2,0,0]=4 415 B13R2.5179 CC1=NC2=CC=CC(Br)=C2C=C1 HR110424 [1,1,0,0,0,0|2,0,0]=4 416 B13R2.5179 CC1=NC2=CC=CC(C)=C2C=C1 HR154937 [1,1,0,0,0,0|2,0,0]=4 417 B13R2.5179 CC1=NC2=CC=CC(Cl)=C2C=C1 HR130454 [1,1,0,0,0,0|2,0,0]=4 418 B13R2.5179 ClC1=C2N=CC(I)=CC2=CC=C1 INSA03509 [1,1,0,0,0,0|2,0,0]=4 419 B13R2.5179 ClC1=NC2=CC=CC(Br)=C2C=C1 HR155086 [1,1,0,0,0,0|2,0,0]=4 420 B13R2.5179 FC1=C2N=CC(I)=CC2=CC=C1 HR119219 [1,1,0,0,0,0|2,0,0]=4 421 B13R2.5179 NC1=C2C=CC(O)=CC2=CC=C1 HR137051 [1,1,0,0,0,0|1,0,0]=3 422 B13R2.5179 NC1=C2N=CC(Br)=CC2=CC=C1 HR155176 [1,1,0,0,0,0|2,0,0]=4 423 B13R2.5179 NC1=CC=CC2=CC(F)=CC=C12 HR34017 [1,1,0,0,0,0|2,0,0]=4 424 B13R2.5179 NC1=NC2=CC=CC(Br)=C2C=C1 HR30342 [1,1,0,0,0,0|2,0,0]=4 425 B13R2.5179 O=C1C=CC2=C(Br)C=CNC2=C1 HR155021 [1,1,0,0,0,0|2,0,0]=4 426 B13R2.5179 O=C1C=CC2=C(Cl)C=CNC2=C1 HR104082 [1,1,0,0,0,0|2,0,0]=4 427 B13R2.5179 O=C1C=COC2=CC(O)=CC=C12 HR110092 [1,1,0,0,0,0|2,0,0]=4 428 B13R2.5179 OC1=CC2=NC=CC(Cl)=C2N=C1 HR33785 [1,1,0,0,0,0|2,0,0]=4 429 B13R2.5179 OC1=CC=C2C(O)=CC=CC2=C1 HR137811 [1,1,0,0,0,0|1,0,0]=3 430 B13R2.5179 OC1=CC=C2C(O)=CC=NC2=C1 HR139161 [1,1,0,0,0,0|2,0,0]=4 431 B13R2.45 CCC1=C(C)C2=C(C=CC=C2)O1 HR117128 [0,1,0,0,1,0|2,0,0]=4 432 B13R2.45 O=CC1=C(Br)C2=C(C=CC=C2)S1 HR112282 [0,1,0,0,1,0|1,1,0]=4 433 B13R2.45 O=CC1=C(Cl)C2=C(C=CC=C2)S1 HR141712 [0,1,0,0,1,0|1,1,0]=4 434 B13R2.135 CC1=C(C=O)C2=CC=CC=C2N1 HR133141 [0,1,0,0,1,0|2,0,0]=4 435 B13R2.135 O=CC1=C(Br)SC2=C1C=CC=C2 HR33609 [0,1,0,0,1,0|2,0,0]=4 436 B13R2.135 O=CC1=C(Cl)NC2=CC=CC=C21 HR138612 [0,1,0,0,1,0|2,0,0]=4 437 B13R2.3028 CC1=CC=C2NC(=O)C(=O)C2=C1 HR136341 [0,1,0,0,1,0|1,0,1]=4 438 B13R2.3028 NC1=CC=C2NC(=O)C(=O)C2=C1 HR112073 [0,1,0,0,1,0|1,0,1]=4 439 B13R2.3028 O=C1NC2=CC=C(Br)C=C2C1=O HR132374 [0,1,0,0,1,0|1,0,1]=4 440 B13R2.3028 O=C1NC2=CC=C(Cl)C=C2C1=O HR126468 [0,1,0,0,1,0|1,0,1]=4 441 B13R2.3028 O=C1NC2=CC=C(F)C=C2C1=O HR1685 [0,1,0,0,1,0|1,0,1]=4 442 B13R2.3028 O=C1NC2=CC=C(I)C=C2C1=O HR128391 [0,1,0,0,1,0|1,0,1]=4 443 B13R2.3028 O=C1NC2=CC=C(O)C=C2C1=O HR112387 [0,1,0,0,1,0|1,0,1]=4 444 B13R2.3085 CN1C(=O)C(=O)C2=CC=CC=C21 HR144312 [0,1,0,0,1,0|1,0,1]=4 445 B13R2.3085 CN1C(=O)C2=CC=CC=C2C1=O HR128127 [0,1,0,0,1,0|2,0,0]=4 446 B13R2.3085 NN1C(=O)C2=CC=CC=C2C1=O HR126762 [0,1,0,0,1,0|2,0,0]=4 447 B13R2.3085 NN1C(=O)C2=CC=CC=C2C1=O HR150874 [0,1,0,0,1,0|2,0,0]=4 448 B13R2.3085 O=C1C2=CC=CC=C2C(=O)N1Cl HR122616 [0,1,0,0,1,0|2,0,0]=4 449 B13R2.3085 O=C1C2=CC=CC=C2C(=O)N1O HR136605 [0,1,0,0,1,0|1,0,0]=3 450 B13R2.3085 O=C1C2=CC=CN=C2C(=O)N1O HR120099 [0,1,0,0,1,0|2,0,0]=4 451 B13R2.4825 CC1=C2NC(=O)C(=O)C2=CC=C1 HR103250 [0,1,0,0,1,0|1,0,1]=4 452 B13R2.4825 O=C1NC2=C(Br)C=CC=C2C1=O HR134168 [0,1,0,0,1,0|1,0,1]=4 453 B13R2.4825 O=C1NC2=C(Cl)C=CC=C2C1=O HR140068 [0,1,0,0,1,0|1,0,1]=4 454 B13R2.4825 O=C1NC2=C(F)C=CC=C2C1=O HR146632 [0,1,0,0,1,0|1,0,1]=4 455 B13R2.4825 O=C1NC2=C(I)C=CC=C2C1=O HR121836 [0,1,0,0,1,0|1,0,1]=4 456 B13R2.4856 CC1=C2C(=O)C(=O)NC2=CC=C1 HR112705 [0,1,0,0,1,0|1,0,1]=4 457 B13R2.4856 O=C1NC2=CC=CC(Br)=C2C1=O HR132126 [0,1,0,0,1,0|1,0,1]=4 458 B13R2.4856 O=C1NC2=CC=CC(Cl)=C2C1=O HR135168 [0,1,0,0,1,0|1,0,1]=4 459 B13R2.4856 O=C1NC2=CC=CC(F)=C2C1=O HR108727 [0,1,0,0,1,0|1,0,1]=4 460 B13R2.4856 O=C1NC2=CC=CC(I)=C2C1=O HR110054 [0,1,0,0,1,0|1,0,1]=4 461 B13R2.5190 CC1=CC=C2C(=O)C(=O)NC2=C1 HR110323 [0,1,0,0,1,0|1,0,1]=4 462 B13R2.5190 O=C1NC2=CC(Br)=CC=C2C1=O HR135698 [0,1,0,0,1,0|1,0,1]=4 463 B13R2.5190 O=C1NC2=CC(Cl)=CC=C2C1=O HR129434 [0,1,0,0,1,0|1,0,1]=4 464 B13R2.5190 O=C1NC2=CC(Cl)=CC=C2C1=O HR135431 [0,1,0,0,1,0|1,0,1]=4 465 B13R2.5190 O=C1NC2=CC(F)=CC=C2C1=O HR109041 [0,1,0,0,1,0|1,0,1]=4 466 B13R2.5190 O=C1NC2=CC(I)=CC=C2C1=O HR109739 [0,1,0,0,1,0|1,0,1]=4 467 B13R2.5190 O=C1NC2=CC(O)=CC=C2C1=O HR110178 [0,1,0,0,1,0|1,0,1]=4 468 B15R2.117 O=CC1=CC2=CC=CC=C2C=C1C=O HR141172 [0,2,0,0,0,0|1,0,1]=4 469 B15R2.274 O=CC1=C(O)C2=CC=CC=C2NC1=O HR105790 [0,2,0,0,0,0|1,0,1]=4 470 B15R2.984 CC(=O)C1=CC2=CC=CC=C2OC1=O HR139757 [0,2,0,0,0,0|0,0,1]=3 471 B15R2.984 CC1=NC2=CC=CC=C2C=C1C(=O)O HR141662 [0,2,0,0,0,0|2,0,0]=4 472 B15R2.984 NC(=O)C1=CC2=CC=CC=C2C=C1O HR144024 [0,2,0,0,0,0|1,0,0]=3 473 B15R2.984 NC1=CC2=CC=CC=C2C=C1C(=O)O HR101477 [0,2,0,0,0,0|2,0,0]=4 474 B15R2.984 O=C(O)C1=CC2=CC=CC=C2C=C1O HR137163 [0,2,0,0,0,0|1,0,0]=3 475 B15R2.984 O=C(O)C1=CC2=CC=CC=C2NC1=O HR107623 [0,2,0,0,0,0|1,0,0]=3 476 B15R2.984 O=C(O)C1=NC2=CC=CC=C2C=C1O HR108486 [0,2,0,0,0,0|1,0,0]=3 477 B15R2.984 O=C(O)C1=NC2=CC=CC=C2NC1=O HR147358 [0,2,0,0,0,0|2,0,0]=4 478 B15R2.1824 CC1=CC=C2NC(=O)C(C=O)=CC2=C1 HR114939 [0,2,0,0,0,0|1,0,1]=4 479 B15R2.2393 COC1=CC2=C(Cl)C=CNC2=CC1=O HR143131 [0,2,0,0,0,0|2,0,0]=4 480 B15R2.63893 CC1=C(Br)C(=O)OC2=CC(O)=CC=C21 HR146764 [0,2,0,0,0,0|1,0,0]=3 481 B13R2.423 O=C(O)C1OC1C2=CC=CC=C2 HR116845 [0,0,1,1,0,0|0,0,2]=4 482 B13R2.435 CC(=O)C1=CC2=C(C=CC=C2)O1 HR109140 [0,0,1,1,0,0|1,0,0]=3 483 B13R2.435 CC(=O)C1=CC2=C(C=CC=C2)S1 HR128404 [0,0,1,1,0,0|1,1,0]=4 484 B13R2.435 CC(=O)C1=NC2=C(C=CC=C2)O1 HR148295 [0,0,1,1,0,0|2,0,0]=4 485 B13R2.435 NC(=O)C1=CC2=CC=CC=C2N1 HR143365 [0,0,1,1,0,0|2,0,0]=4 486 B13R2.435 O=C(Cl)C1=CC2=C(C=CC=C2)S1 HR102462 [0,0,1,1,0,0|1,1,0]=4 487 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)O1 HR108437 [0,0,1,1,0,0|0,0,0]=2 488 B13R2.435 O=C(O)C1=CC2=C(C=CN=C2)S1 HR30502 [0,0,1,1,0,0|1,1,0]=4 489 B13R2.435 O=C(O)C1=CC2=CC=CC=C2N1 HR129456 [0,0,1,1,0,0|1,0,0]=3 490 B13R2.435 O=C(O)C1=CC2=CC=CN=C2N1 HR102870 [0,0,1,1,0,0|2,0,0]=4 491 B13R2.435 O=C(O)C1=CC2=CC=CN=C2S1 HR30497 [0,0,1,1,0,0|1,1,0]=4 492 B13R2.435 O=C(O)C1=CC2=CC=NC=C2N1 HR105215 [0,0,1,1,0,0|2,0,0]=4 493 B13R2.435 O=C(O)C1=CC2=CC=NC=C2S1 HR30737 [0,0,1,1,0,0|1,1,0]=4 494 B13R2.435 O=C(O)C1=CC2=CN=CC=C2N1 HR105531 [0,0,1,1,0,0|2,0,0]=4 495 B13R2.435 O=C(O)C1=CC2=NC=CC=C2N1 HR105840 [0,0,1,1,0,0|2,0,0]=4 496 B13R2.435 O=C(O)C1=CC2=NC=CC=C2S1 HR31437 [0,0,1,1,0,0|1,1,0]=4 497 B13R2.435 O=C(O)C1=CN2C=CC=CC2=N1 HR105993 [0,0,1,1,0,0|2,0,0]=4 498 B13R2.435 O=C(O)C1=NC2=C(C=CC=C2)N1 HR109475 [0,0,1,1,0,0|2,0,0]=4 499 B13R2.435 O=C(O)C1=NC2=C(C=CC=C2)O1 HR32606 [0,0,1,1,0,0|1,0,0]=3 500 B13R2.435 O=C(O)C1=NC2=C(C=CC=C2)S1 HR105590 [0,0,1,1,0,0|1,1,0]=4 501 B13R2.435 O=C(O)C1=NN2C=CC=CC2=C1 HR106524 [0,0,1,1,0,0|2,0,0]=4 502 B13R2.435 O=C(O)C1CC2=C(C=CC=C2)O1 HR105154 [0,0,1,1,0,0|0,0,2]=4 503 B13R2.435 O=C(O)c1cc2ccccc2s1 HR137708 [0,0,1,1,0,0|0,1,0]=3 504 B13R2.1613 O=CC1=CC=CC2=CC=CC=C12 HR135506 [0,0,1,1,0,0|2,0,0]=4 505 B13R2.1613 O=CC1=NC=CC2=CC=CC=C21 HR103112 [0,0,1,1,0,0|2,0,0]=4 506 B11R1.36 C=C(C(=O)O)C1=CC=CC=C1 HR127990 [0,0,1,0,1,0|1,0,0]=3 507 B11R1.36 C=C(C(C)=O)C1=CC=CC=C1 HR118801 [0,0,1,0,1,0|2,0,0]=4 508 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 HR134536 [0,0,1,0,1,0|0,0,2]=4 509 B11R1.36 CC(=O)C(O)c1ccccc1 HR100300 [0,0,1,0,1,0|1,0,1]=4 510 B11R1.36 CC(C(=O)O)C1=CC=CC=C1 HR131467 [0,0,1,0,1,0|1,0,1]=4 511 B11R1.36 CC(C(=O)O)C1=CC=CC=C1 HR136928 [0,0,1,0,1,0|1,0,1]=4 512 B11R1.36 CC(C(=O)O)c1ccccc1 HR6079 [0,0,1,0,1,0|1,0,1]=4 513 B11R1.36 CC(O)C(=O)C1=CC=CC=C1 HR141694 [0,0,1,0,1,0|0,0,2]=4 514 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 HR122845 [0,0,1,0,1,0|1,0,1]=4 515 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 HR126179 [0,0,1,0,1,0|1,0,1]=4 516 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 HR127777 [0,0,1,0,1,0|1,0,1]=4 517 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 HR147603 [0,0,1,0,1,0|1,0,1]=4 518 B11R1.36 O=C(O)C(=O)C1=CC=CC=C1 HR131693 [0,0,1,0,1,0|0,0,1]=3 519 B11R1.36 O=C(O)C(Br)C1=CC=CC=C1 HR127939 [0,0,1,0,1,0|1,0,1]=4 520 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 HR129834 [0,0,1,0,1,0|0,0,1]=3 521 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 HR131808 [0,0,1,0,1,0|0,0,1]=3 522 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 HR132071 [0,0,1,0,1,0|0,0,1]=3 523 B11R1.36 O=C([O-])C(O)C1=CC=CC=C1 HR132322 [0,0,1,0,1,0|0,0,2]=4 524 B11R1.222 O=C(NO)C1=CC=CC=C1O HR124345 [0,0,1,0,1,0|2,0,0]=4 525 B11R2.1 BrC1=COC2=C1C=CC=C2 HR30485 [1,0,0,0,1,0|1,0,0]=3 526 B11R2.1 BrC1=CSC2=C1C=CC=C2 HR128386 [1,0,0,0,1,0|1,1,0]=4 527 B11R2.1 CC1=CNC2=CC=CC=C12 HR135810 [1,0,0,0,1,0|2,0,0]=4 528 B11R2.1 CC1=COC2=C1C=CC=C2 HR102411 [1,0,0,0,1,0|1,0,0]=3 529 B11R2.1 CC1=COC2=NC=CC=C12 HR120579 [1,0,0,0,1,0|2,0,0]=4 530 B11R2.1 CC1=CSC2=C1C=CC=C2 HR105620 [1,0,0,0,1,0|1,1,0]=4 531 B11R2.1 CN1C=CC2=CC=CC=C21 HR136081 [1,0,0,0,1,0|2,0,0]=4 532 B11R2.1 ClC1=CNC2=CC=CC=C12 HR116332 [1,0,0,0,1,0|2,0,0]=4 533 B11R2.1 ClC1=NOC2=C1C=CC=C2 HR31888 [1,0,0,0,1,0|2,0,0]=4 534 B11R2.1 IC1=CNC2=CC=CC=C12 HR117539 [1,0,0,0,1,0|2,0,0]=4 535 B11R2.1 NC1=CSC2=C1C=CC=C2 HR148471 [1,0,0,0,1,0|1,1,0]=4 536 B11R2.1 NC1=NOC2=C1C=CC=C2 HR103109 [1,0,0,0,1,0|2,0,0]=4 537 B11R2.1 NN1C=CC2=CC=CC=C21 HR125653 [1,0,0,0,1,0|2,0,0]=4 538 B11R2.1 O=C1CCC2=CC=CC=C12 HR123123 [1,0,0,0,1,0|0,0,2]=4 539 B11R2.1 O=C1COC2=C1C=CC=C2 HR144627 [1,0,0,0,1,0|0,0,2]=4 540 B11R2.1 O=C1COc2ccccc21 HR123845 [1,0,0,0,1,0|0,0,2]=4 541 B11R2.1 O=C1CSC2=C1C=CC=C2 HR147144 [1,0,0,0,1,0|1,0,1]=4 542 B11R2.1 O=C1NCC2=CC=CC=C12 HR30555 [1,0,0,0,1,0|1,0,1]=4 543 B11R2.1 O=C1NNC2=CC=CC=C12 HR30556 [1,0,0,0,1,0|2,0,0]=4 544 B11R2.1 O=C1NSC2=C1C=CC=C2 HR134421 [1,0,0,0,1,0|2,0,0]=4 545 B11R2.1 O=C1OCC2=C1C=CC=C2 HR124467 [1,0,0,0,1,0|1,0,1]=4 546 B11R2.1 O=S1C=CC2=C1C=CC=C2 HR124927 [1,0,0,0,1,0|1,0,0]=3 547 B11R2.1 OC1=CSC2=C1C=CC=C2 HR124656 [1,0,0,0,1,0|0,1,0]=3 548 B11R2.1 OC1=NNC2=CC=CC=C21 HR120308 [1,0,0,0,1,0|2,0,0]=4 549 B11R2.1 OC1=NOC2=C1C=CC=C2 HR31889 [1,0,0,0,1,0|1,0,0]=3 550 B11R2.10 BrC1=CC2=C(C=CC=C2)S1 HR114585 [1,0,0,0,1,0|1,1,0]=4 551 B11R2.10 BrC1=CC2=CC=CC=C2C1 HR136265 [1,0,0,0,1,0|1,0,1]=4 552 B11R2.10 BrC1=CC2=CC=CC=C2N1 HR144441 [1,0,0,0,1,0|2,0,0]=4 553 B11R2.10 BrC1=NC2=C(C=CC=C2)O1 HR32327 [1,0,0,0,1,0|2,0,0]=4 554 B11R2.10 CC1=CC2=C(C=CC=C2)O1 HR110370 [1,0,0,0,1,0|1,0,0]=3 555 B11R2.10 CC1=CC2=C(C=CC=C2)S1 HR112383 [1,0,0,0,1,0|1,1,0]=4 556 B11R2.10 CC1=CC2=CC=CC=C2C1 HR5381 [1,0,0,0,1,0|1,0,1]=4 557 B11R2.10 CC1=CC2=CC=CC=C2N1 HR7504 [1,0,0,0,1,0|2,0,0]=4 558 B11R2.10 CC1=NC2=C(C=CC=C2)O1 HR129200 [1,0,0,0,1,0|2,0,0]=4 559 B11R2.10 ClC1=NC2=C(C=CC=C2)O1 HR137239 [1,0,0,0,1,0|2,0,0]=4 560 B11R2.10 NC1=CC2=C(C=CC=C2)S1 HR148251 [1,0,0,0,1,0|1,1,0]=4 561 B11R2.10 NC1=NC2=C(C=CC=C2)O1 HR105090 [1,0,0,0,1,0|2,0,0]=4 562 B11R2.10 O=C1C=C2C=CC=CN2N1 HR115261 [1,0,0,0,1,0|2,0,0]=4 563 B11R2.10 O=C1CC2=CC=CC=C2C1 HR132361 [1,0,0,0,1,0|1,0,1]=4 564 B11R2.10 O=C1CC2=CC=CC=C2N1 HR131240 [1,0,0,0,1,0|1,0,1]=4 565 B11R2.10 O=C1CC2=CC=CC=C2O1 HR107478 [1,0,0,0,1,0|0,0,1]=3 566 B11R2.10 O=C1N=C2C=CC=CC2=N1 HR115512 [1,0,0,0,1,0|2,0,0]=4 567 B11R2.10 O=C1NC2=C(C=CC=C2)O1 HR126250 [1,0,0,0,1,0|1,0,0]=3 568 B11R2.10 O=C1NC2=NC=CC=C2O1 HR128757 [1,0,0,0,1,0|2,0,0]=4 569 B11R2.10 OC1=CN2C=CC=CC2=N1 HR110660 [1,0,0,0,1,0|2,0,0]=4 570 B11R2.10 OC1=NC2=C(C=CC=C2)N1 HR135442 [1,0,0,0,1,0|2,0,0]=4 571 B11R2.10 OC1=NC2=C(C=CC=C2)S1 HR119918 [1,0,0,0,1,0|1,1,0]=4 572 B11R2.10 SC1=NC2=C(C=CC=C2)O1 HR8630 [1,0,0,0,1,0|1,1,0]=4 573 B11R2.36 OC1=CC2=C(C=C1)OC=C2 HR33342 [1,0,0,0,1,0|2,0,0]=4 574 B11R2.36 OC1=CC2=C(C=CO2)C=C1 HR30490 [1,0,0,0,1,0|2,0,0]=4 575 B11R2.36 OC1=CC2=C(C=CS2)C=C1 HR31386 [1,0,0,0,1,0|2,0,0]=4 576 B11R2.36 OC1=CC=C2C=CNC2=C1 HR137406 [1,0,0,0,1,0|2,0,0]=4 577 B11R2.36 OC1=CC=C2NC=CC2=C1 HR122290 [1,0,0,0,1,0|2,0,0]=4 578 B11R2.36 OC1=CN=C2NC=CC2=C1 HR33105 [1,0,0,0,1,0|2,0,0]=4 579 B13R1.351 C=C(C)C(=O)OCC1=CC=CC=C1 HR129867 [0,0,1,0,0,1|1,0,0]=3 580 B13R1.351 CC(O)C(=O)OCC1=CC=CC=C1 HR111446 [0,0,1,0,0,1|0,0,2]=4 581 B13R1.351 CC(O)C(=O)OCC1=CC=CC=C1 HR132909 [0,0,1,0,0,1|0,0,2]=4 582 B13R1.351 O=C(O)C(=O)CCC1=CC=CC=C1 HR137491 [0,0,1,0,0,1|0,0,2]=4 583 B13R1.351 O=C(O)C(O)CCC1=CC=CC=C1 HR129544 [0,0,1,0,0,1|0,0,2]=4 584 B13R1.351 O=C(O)C(O)CCC1=CC=CC=C1 HR143803 [0,0,1,0,0,1|0,0,2]=4