0 B13R2.369 CC1=C(O)C=C2C=CC=NC2=C1 34451 [0,0,0,0,0,0|3,0,0]=3 1 B13R2.369 CC1=CC2=CC=CC=C2N=C1Cl 12431 [0,0,0,0,0,0|3,0,0]=3 2 B13R2.369 CC1=NC2=CC=CC=C2N=C1Cl 15428 [0,0,0,0,0,0|4,0,0]=4 3 B13R2.369 CC1=NC2=CC=CC=C2N=C1O 15424 [0,0,0,0,0,0|3,0,0]=3 4 B13R2.369 ClC1=NC2=CC=CC=C2C=C1Br 35526 [0,0,0,0,0,0|3,0,0]=3 5 B13R2.369 ClC1=NC2=CC=CC=C2N=C1Cl 15473 [0,0,0,0,0,0|4,0,0]=4 6 B13R2.369 FC1=C(Br)C=C2C=CC=NC2=C1 17381 [0,0,0,0,0,0|4,0,0]=4 7 B13R2.369 FC1=C(F)C=C2N=CC=CC2=C1 7217 [0,0,0,0,0,0|4,0,0]=4 8 B13R2.369 NC1=CC2=CC=CC=C2C=C1N 15532 [0,0,0,0,0,0|3,0,0]=3 9 B13R2.369 NC1CC2=CC=CC=C2NC1=O 17875 [0,0,0,0,0,0|2,0,2]=4 10 B13R2.369 OC1=NC2=CC=CC=C2N=C1O 25656 [0,0,0,0,0,0|2,0,1]=3 11 B12R2.24 BrC1=CC2=CC=CC=C2C=C1 9426 [1,0,0,0,0,0|2,0,0]=3 12 B12R2.24 BrC1=CC2=CC=CC=C2C=N1 20629 [1,0,0,0,0,0|3,0,0]=4 13 B12R2.24 BrC1=CC2=CC=CC=C2N=C1 5814 [1,0,0,0,0,0|2,0,0]=3 14 B12R2.24 BrC1=CC2=CC=CN=C2N=C1 33544 [1,0,0,0,0,0|3,0,0]=4 15 B12R2.24 BrC1=CC2=NC=CC=C2N=C1 22963 [1,0,0,0,0,0|3,0,0]=4 16 B12R2.24 BrC1=CC=C2C=CC=NC2=C1 12788 [1,0,0,0,0,0|3,0,0]=4 17 B12R2.24 BrC1=CC=C2C=CN=CC2=C1 12736 [1,0,0,0,0,0|3,0,0]=4 18 B12R2.24 BrC1=CC=C2C=NC=CC2=C1 17031 [1,0,0,0,0,0|3,0,0]=4 19 B12R2.24 BrC1=CC=C2N=CC=CC2=C1 2374 [1,0,0,0,0,0|3,0,0]=4 20 B12R2.24 BrC1=NC2=CC=CC=C2C=C1 21827 [1,0,0,0,0,0|2,0,0]=3 21 B12R2.24 BrC1=NC2=CN=CC=C2C=C1 25764 [1,0,0,0,0,0|3,0,0]=4 22 B12R2.24 BrC1=NC2=NC=CC=C2C=C1 18424 [1,0,0,0,0,0|3,0,0]=4 23 B12R2.24 CC1=CC2=CC=CC=C2N=C1 2344 [1,0,0,0,0,0|2,0,0]=3 24 B12R2.24 CC1=CC=C2C=CC=NC2=C1 5811 [1,0,0,0,0,0|3,0,0]=4 25 B12R2.24 CC1=CC=C2C=NC=CC2=C1 6210 [1,0,0,0,0,0|3,0,0]=4 26 B12R2.24 CC1=CC=C2N=CC=CC2=C1 5807 [1,0,0,0,0,0|3,0,0]=4 27 B12R2.24 CC1=NC2=CC=CC=C2C=C1 5809 [1,0,0,0,0,0|2,0,0]=3 28 B12R2.24 CC1=NC2=NC=CC=C2C=C1 13904 [1,0,0,0,0,0|3,0,0]=4 29 B12R2.24 ClC1=CC2=CC=CC=C2C=C1 9464 [1,0,0,0,0,0|2,0,0]=3 30 B12R2.24 ClC1=CC2=CC=CC=C2C=N1 6215 [1,0,0,0,0,0|3,0,0]=4 31 B12R2.24 ClC1=CC2=CC=CC=C2N=C1 14555 [1,0,0,0,0,0|2,0,0]=3 32 B12R2.24 ClC1=CC=C2C=CC=NC2=C1 19899 [1,0,0,0,0,0|3,0,0]=4 33 B12R2.24 ClC1=CC=C2N=CC=CC2=C1 5813 [1,0,0,0,0,0|3,0,0]=4 34 B12R2.24 ClC1=NC2=CC=CC=C2C=C1 7580 [1,0,0,0,0,0|2,0,0]=3 35 B12R2.24 ClC1=NC2=CC=CC=C2C=N1 14666 [1,0,0,0,0,0|3,0,0]=4 36 B12R2.24 ClC1=NC2=CC=CC=C2N=C1 15447 [1,0,0,0,0,0|3,0,0]=4 37 B12R2.24 ClC1=NC2=CC=NC=C2C=C1 14667 [1,0,0,0,0,0|3,0,0]=4 38 B12R2.24 ClC1=NC2=CN=CC=C2C=C1 25766 [1,0,0,0,0,0|3,0,0]=4 39 B12R2.24 ClC1=NC2=NC=CC=C2C=C1 18422 [1,0,0,0,0,0|3,0,0]=4 40 B12R2.24 FC1=CC2=CC=CC=C2C=C1 19886 [1,0,0,0,0,0|2,0,0]=3 41 B12R2.24 FC1=CC=C2C=NC=CC2=C1 27896 [1,0,0,0,0,0|3,0,0]=4 42 B12R2.24 FC1=CC=C2N=CC=CC2=C1 36233 [1,0,0,0,0,0|3,0,0]=4 43 B12R2.24 IC1=CC=C2N=CC=CC2=C1 23785 [1,0,0,0,0,0|3,0,0]=4 44 B12R2.24 IC1=NC2=CC=CC=C2C=C1 24681 [1,0,0,0,0,0|2,0,0]=3 45 B12R2.24 NC1=CC2=CC=CC=C2C=C1 23236 [1,0,0,0,0,0|2,0,0]=3 46 B12R2.24 NC1=CC2=CC=CC=C2C=N1 6217 [1,0,0,0,0,0|3,0,0]=4 47 B12R2.24 NC1=CC2=CC=CC=C2N=C1 12769 [1,0,0,0,0,0|2,0,0]=3 48 B12R2.24 NC1=CC2=NC=CC=C2N=C1 27125 [1,0,0,0,0,0|3,0,0]=4 49 B12R2.24 NC1=CC=C2C=CC=NC2=C1 12786 [1,0,0,0,0,0|3,0,0]=4 50 B12R2.24 NC1=CC=C2C=CN=CC2=C1 12737 [1,0,0,0,0,0|3,0,0]=4 51 B12R2.24 NC1=CC=C2C=NC=CC2=C1 34666 [1,0,0,0,0,0|3,0,0]=4 52 B12R2.24 NC1=CC=C2N=CC=CC2=C1 24732 [1,0,0,0,0,0|3,0,0]=4 53 B12R2.24 NC1=NC2=CC=CC=C2C=C1 5818 [1,0,0,0,0,0|2,0,0]=3 54 B12R2.24 NC1=NC2=CC=CC=C2N=C1 15443 [1,0,0,0,0,0|3,0,0]=4 55 B12R2.24 NC1=NC2=CC=CN=C2C=C1 18361 [1,0,0,0,0,0|3,0,0]=4 56 B12R2.24 NC1=NC2=CN=CC=C2C=C1 25757 [1,0,0,0,0,0|3,0,0]=4 57 B12R2.24 O=C1C=CC2=CC=CC=C2O1 21620 [1,0,0,0,0,0|0,0,0]=1 58 B12R2.24 O=C1C=CC2=CC=NC=C2N1 25763 [1,0,0,0,0,0|2,0,0]=3 59 B12R2.24 O=C1C=CC2=CN=CC=C2N1 27583 [1,0,0,0,0,0|2,0,0]=3 60 B12R2.24 O=C1CC2=CC=CC=C2CO1 22155 [1,0,0,0,0,0|2,0,1]=4 61 B12R2.24 O=C1CCC2=CC=CC=C2C1 17934 [1,0,0,0,0,0|1,0,2]=4 62 B12R2.24 O=C1COC2=C(C=CC=C2)N1 18791 [1,0,0,0,0,0|1,0,2]=4 63 B12R2.24 O=C1COC2=CC=CC=C2C1 9704 [1,0,0,0,0,0|0,0,3]=4 64 B12R2.24 OC1=CC2=CC=CC=C2N=C1 12770 [1,0,0,0,0,0|1,0,0]=2 65 B12R2.24 OC1=CC=C2C=CC=NC2=C1 5841 [1,0,0,0,0,0|2,0,0]=3 66 B12R2.24 OC1=CC=C2C=CN=CC2=C1 6264 [1,0,0,0,0,0|2,0,0]=3 67 B12R2.24 OC1=CC=C2C=NC=CC2=C1 6260 [1,0,0,0,0,0|2,0,0]=3 68 B12R2.24 OC1=CC=C2N=CC=CC2=C1 5840 [1,0,0,0,0,0|2,0,0]=3 69 B12R2.24 OC1=NC2=CC=CC=C2N=C1 15472 [1,0,0,0,0,0|2,0,0]=3 70 B12R2.24 OC1=NC2=CC=CN=C2C=C1 27746 [1,0,0,0,0,0|2,0,1]=4 71 B12R2.24 SC1=CC2=CC=CC=C2C=C1 6833 [1,0,0,0,0,0|1,1,0]=3 72 B12R2.24 SC1=NC2=CC=CC=C2N=C1 15427 [1,0,0,0,0,0|2,1,0]=4 73 B12R2.24 [O-][N+]1=CC2=CC=CC=C2C=C1 35439 [1,0,0,0,0,0|2,0,1]=4 74 B14R2.1128 ClCC1=CC2=CC=CC=C2N=C1Cl 25439 [0,1,0,0,0,0|3,0,0]=4 75 B14R2.1128 N#CC1=CC2=CC=CC=C2OC1=O 8675 [0,1,0,0,0,0|1,0,0]=2 76 B14R2.8239 O=C1C=CC2=CC(O)=C(O)C=C2O1 10610 [0,1,0,0,0,0|2,0,1]=4 77 B14R2.8239 OC1=NC2=CC=C(Cl)C=C2N=C1O 15426 [0,1,0,0,0,0|2,0,1]=4 78 B12R1.43 CC(NC1=CC=CC=C1)C(=O)O 16952 [0,0,1,0,0,0|2,0,1]=4 79 B12R1.43 C\C(=C/C1=CC=CC=C1)C(=O)O 8190 [0,0,1,0,0,0|1,0,0]=2 80 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O 2375 [0,0,1,0,0,0|1,0,2]=4 81 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O 11004 [0,0,1,0,0,0|1,0,2]=4 82 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O 18595 [0,0,1,0,0,0|1,0,2]=4 83 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O 10975 [0,0,1,0,0,0|1,0,2]=4 84 B12R1.43 O=C(O)[C@@H](Br)CC1=CC=CC=C1 10725 [0,0,1,0,0,0|1,0,2]=4 85 B12R1.43 O=C(O)[C@@H](O)Cc1ccccc1 6413 [0,0,1,0,0,0|0,0,2]=3 86 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 6414 [0,0,1,0,0,0|0,0,2]=3 87 B12R2.18 CC1=C(C)C2=CC=CC=C2N1 7334 [0,0,0,0,1,0|3,0,0]=4 88 B12R2.18 CC1=CC2=CC=CC=C2N1C 7333 [0,0,0,0,1,0|3,0,0]=4 89 B12R2.18 CC1CC2=CC=CC=C2C1=O 2387 [0,0,0,0,1,0|1,0,2]=4 90 B12R2.18 CN1NC2=CC=CC=C2C1=O 27652 [0,0,0,0,1,0|3,0,0]=4 91 B12R2.18 CN1SC2=C(C=CC=C2)C1=O 29423 [0,0,0,0,1,0|3,0,0]=4 92 B12R2.18 Cn1c(=O)oc2ccccc21 8685 [0,0,0,0,1,0|2,0,0]=3 93 B12R2.18 O=C1C2=CC=CC=C2CC1Br 8852 [0,0,0,0,1,0|1,0,2]=4 94 B12R2.18 O=C1NC2=CC=CC=C2C1=O 13609 [0,0,0,0,1,0|1,0,1]=3 95 B12R2.18 O=C1NC2=NC=CC=C2C1=O 26690 [0,0,0,0,1,0|2,0,1]=4 96 B11R1.40 CNC(=O)OC1=CC=CC=C1 35857 [1,0,1,0,0,0|1,0,1]=4 97 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 11078 [1,0,1,0,0,0|1,0,0]=3 98 B11R1.91 O=C(Cl)\C=C\C1=CC=CC=C1 25891 [1,0,1,0,0,0|1,0,0]=3 99 B11R1.91 O=C(Cl)\C=C\C1=CC=CC=C1 36191 [1,0,1,0,0,0|1,0,0]=3 100 B11R1.91 O=C(O)C#CC1=CC=CC=C1 13737 [1,0,1,0,0,0|0,0,2]=4 101 B11R1.91 O=C(O)CCC1=CC=CC=C1 8185 [1,0,1,0,0,0|0,0,2]=4 102 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 13612 [1,0,1,0,0,0|0,0,0]=2 103 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 16731 [1,0,1,0,0,0|1,0,0]=3 104 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 3816 [1,0,1,0,0,0|1,0,0]=3 105 B11R1.91 O=C(O)\C=C\C1=CC=NC=C1 9807 [1,0,1,0,0,0|1,0,0]=3 106 B11R1.91 O=C([O-])\C=C\C1=CC=CC=C1 8142 [1,0,1,0,0,0|0,0,1]=3 107 B11R1.91 O=[N+]([O-])\C=C\C1=CC=CC=C1 34899 [1,0,1,0,0,0|1,0,1]=4 108 B11R1.91 OB(O)\C=C\C1=CC=CC=C1 33530 [1,0,1,0,0,0|1,0,1]=4 109 B11R1.86 CC(=O)NC1=C(O)C=CC=C1 3830 [1,0,1,0,0,0|2,0,0]=4 110 B11R1.86 CC(=O)OC1=C(Br)C=CC=C1 3055 [1,0,1,0,0,0|1,0,1]=4 111 B11R1.86 CC(=O)OC1=C(F)C=CC=C1 3059 [1,0,1,0,0,0|1,0,1]=4 112 B11R1.86 CC(=O)OC1=C(I)C=CC=C1 3062 [1,0,1,0,0,0|1,0,1]=4 113 B11R1.86 CC1=C(CC(=O)O)C=CC=C1 20124 [1,0,1,0,0,0|1,0,1]=4 114 B11R1.86 O=C(O)CC1=C(Br)C=CC=C1 7214 [1,0,1,0,0,0|1,0,1]=4 115 B11R1.86 O=C(O)CC1=C(Cl)C=CC=C1 16509 [1,0,1,0,0,0|1,0,1]=4 116 B11R1.86 O=C(O)CC1=C(F)C=CC=C1 4164 [1,0,1,0,0,0|1,0,1]=4 117 B11R1.86 O=C(O)CC1=C(I)C=CC=C1 2552 [1,0,1,0,0,0|1,0,1]=4 118 B11R1.86 O=C(O)CC1=C(O)C=CC=C1 20030 [1,0,1,0,0,0|0,0,1]=3 119 B11R2.20 C1=CC2=CN=CC=C2N=C1 18071 [2,0,0,0,0,0|2,0,0]=4 120 B11R2.20 C1=CC=C2C=NC=CC2=C1 7536 [2,0,0,0,0,0|2,0,0]=4 121 B11R2.20 C1=CN=C2C=CC=NC2=C1 18072 [2,0,0,0,0,0|2,0,0]=4 122 B11R2.20 C1=CN=C2N=CC=CC2=C1 16485 [2,0,0,0,0,0|2,0,0]=4 123 B13R1.133 O=C(O)[C@H](O)CC1=CC=C(F)C=C1 19256 [0,1,1,0,0,0|0,0,2]=4 124 B13R1.135 COC(=O)C(O)Cc1ccccc1 23902 [0,1,1,0,0,0|0,0,2]=4 125 B13R1.135 COC(=O)[C@@H](O)CC1=CC=CC=C1 6055 [0,1,1,0,0,0|0,0,2]=4 126 B13R1.135 COC(=O)[C@H](O)CC1=CC=CC=C1 14742 [0,1,1,0,0,0|0,0,2]=4 127 B13R1.152 NC(C1=CC=CC=C1)C(O)C(=O)O 24507 [0,1,1,0,0,0|0,0,2]=4 128 B13R1.152 N[C@@H](C1=CC=CC=C1)[C@@H](O)C(=O)O 9698 [0,1,1,0,0,0|0,0,2]=4 129 B13R1.152 N[C@@H](C1=CC=CC=C1)[C@H](O)C(=O)O 24501 [0,1,1,0,0,0|0,0,2]=4 130 B13R1.152 N[C@H](C1=CC=CC=C1)[C@@H](O)C(=O)O 24505 [0,1,1,0,0,0|0,0,2]=4 131 B13R1.152 N[C@H](C1=CC=CC=C1)[C@H](O)C(=O)O 24504 [0,1,1,0,0,0|0,0,2]=4 132 B13R2.32 CC1=C(Cl)C2=CC=CC=C2N=C1 22720 [1,1,0,0,0,0|2,0,0]=4 133 B13R2.32 CN1C(=O)C=CC2=CC=CC=C21 15912 [1,1,0,0,0,0|1,0,0]=3 134 B13R2.32 FC1=C(Br)C=CC2=CC=CC=C21 13696 [1,1,0,0,0,0|2,0,0]=4 135 B13R2.32 NC1=C(Br)C2=CC=CC=C2C=C1 34401 [1,1,0,0,0,0|2,0,0]=4 136 B13R2.32 NC1=C(Br)C=NC2=CC=CC=C21 22813 [1,1,0,0,0,0|2,0,0]=4 137 B13R2.32 NC1=C(Cl)C2=CC=CC=C2N=C1 29729 [1,1,0,0,0,0|2,0,0]=4 138 B13R2.32 NC1=C(N)C2=CC=CC=C2C=C1 35202 [1,1,0,0,0,0|2,0,0]=4 139 B13R2.32 OC1=C(Br)C2=CC=CC=C2C=C1 22909 [1,1,0,0,0,0|1,0,0]=3 140 B13R2.32 OC1=C(Br)C=CC2=CC=CC=C21 28186 [1,1,0,0,0,0|2,0,0]=4 141 B13R2.32 OC1=C(I)C2=NC=CC=C2N=C1 27179 [1,1,0,0,0,0|2,0,0]=4 142 B13R2.32 OC1=CC=C2C=CN=CC2=C1Br 34749 [1,1,0,0,0,0|2,0,0]=4 143 B13R2.57 BrCC1=CC2=CC=CC=C2C=C1 9429 [1,1,0,0,0,0|2,0,0]=4 144 B13R2.57 BrCC1=NC2=CC=CC=C2C=C1 23800 [1,1,0,0,0,0|2,0,0]=4 145 B13R2.57 C#CC1=CC2=CC=CC=C2C=C1 19828 [1,1,0,0,0,0|2,0,0]=4 146 B13R2.57 C=CC1=CC2=CC=CC=C2C=C1 9471 [1,1,0,0,0,0|2,0,0]=4 147 B13R2.57 CCC1=CC2=CC=CC=C2N=C1 7519 [1,1,0,0,0,0|2,0,0]=4 148 B13R2.57 COC1=CC2=CC=CC=C2C=C1 29075 [1,1,0,0,0,0|1,0,0]=3 149 B13R2.57 COC1=CC2=NC=CC=C2N=C1 27166 [1,1,0,0,0,0|2,0,0]=4 150 B13R2.57 COC1=CC=C2C=CN=CC2=C1 6277 [1,1,0,0,0,0|2,0,0]=4 151 B13R2.57 COC1=CC=C2C=NC=CC2=C1 6276 [1,1,0,0,0,0|2,0,0]=4 152 B13R2.57 COC1=CC=C2N=CC=CC2=C1 5917 [1,1,0,0,0,0|2,0,0]=4 153 B13R2.57 COC1=NC2=CC=CC=C2C=C1 23493 [1,1,0,0,0,0|1,0,1]=4 154 B13R2.57 ClCC1=CC2=CC=CC=C2C=C1 28940 [1,1,0,0,0,0|2,0,0]=4 155 B13R2.57 N#CC1=CC2=CC=CC=C2N=C1 5827 [1,1,0,0,0,0|2,0,0]=4 156 B13R2.57 N#CC1=NC2=CC=CC=C2C=C1 36052 [1,1,0,0,0,0|2,0,0]=4 157 B13R2.57 NNC1=NC2=CC=CC=C2C=C1 5819 [1,1,0,0,0,0|2,0,0]=4 158 B13R2.57 O=CC1=CC2=CC=CC=C2C=C1 9416 [1,1,0,0,0,0|1,0,0]=3 159 B13R2.57 O=CC1=CC=C2C=CC=NC2=C1 23838 [1,1,0,0,0,0|2,0,0]=4 160 B13R2.57 O=CC1=CC=C2N=CC=CC2=C1 10181 [1,1,0,0,0,0|2,0,0]=4 161 B13R2.57 O=CC1=NC2=CC=CC=C2C=C1 2277 [1,1,0,0,0,0|1,0,0]=3 162 B13R2.57 O=CC1=NC2=CC=CC=C2N=C1 21935 [1,1,0,0,0,0|2,0,0]=4 163 B13R2.57 O=CC1=NC2=NC=CC=C2C=C1 17894 [1,1,0,0,0,0|2,0,0]=4 164 B13R2.57 OCC1=CC=C2N=CC=CC2=C1 12427 [1,1,0,0,0,0|2,0,0]=4 165 B13R2.57 [C-]#[N+]C1=CC2=CC=CC=C2C=C1 29045 [1,1,0,0,0,0|2,0,0]=4 166 B13R2.155 BrC1=CC=C2C=CC(Br)=CC2=C1 36175 [1,1,0,0,0,0|2,0,0]=4 167 B13R2.155 CC1=NC2=CC(Cl)=CC=C2C=C1 5850 [1,1,0,0,0,0|2,0,0]=4 168 B13R2.155 CC1=NC2=CC(F)=CC=C2C=C1 5896 [1,1,0,0,0,0|2,0,0]=4 169 B13R2.155 ClC1=NC2=CC(Br)=CC=C2C=C1 27904 [1,1,0,0,0,0|2,0,0]=4 170 B13R2.155 NC1=NC2=CC(Br)=CC=C2C=C1 34537 [1,1,0,0,0,0|2,0,0]=4 171 B13R2.155 O=C1C=CC2=CC=C(O)C=C2N1 5866 [1,1,0,0,0,0|1,0,0]=3 172 B13R2.155 O=C1C=CC2=CC=C(O)C=C2O1 10607 [1,1,0,0,0,0|0,0,0]=2 173 B13R2.155 O=C1C=NC2=CC=C(Cl)C=C2N1 18465 [1,1,0,0,0,0|2,0,0]=4 174 B13R2.155 OC1=CC2=CC(Br)=CC=C2C=C1 32314 [1,1,0,0,0,0|1,0,0]=3 175 B13R2.155 OC1=NC2=CC(Br)=CC=C2N=C1 20306 [1,1,0,0,0,0|2,0,0]=4 176 B13R2.162 CC1=NC2=C(Br)C=CC=C2C=C1 21848 [1,1,0,0,0,0|2,0,0]=4 177 B13R2.162 CC1=NC2=C(C)C=CC=C2C=C1 5878 [1,1,0,0,0,0|2,0,0]=4 178 B13R2.162 CC1=NC2=C(Cl)C=CC=C2C=C1 5852 [1,1,0,0,0,0|2,0,0]=4 179 B13R2.162 CC1=NC2=C(O)C=CC=C2C=C1 24684 [1,1,0,0,0,0|2,0,0]=4 180 B13R2.162 ClC1=NC2=C(Br)C=CC=C2C=C1 16930 [1,1,0,0,0,0|2,0,0]=4 181 B13R2.162 ClC1=NC2=C(Cl)C=CC=C2C=C1 23770 [1,1,0,0,0,0|2,0,0]=4 182 B13R2.162 NC1=CC=CC2=CC=C(O)C=C12 22270 [1,1,0,0,0,0|1,0,0]=3 183 B13R2.162 NC1=NC2=C(Br)C=CC=C2C=C1 27726 [1,1,0,0,0,0|2,0,0]=4 184 B13R2.162 O=C1C=CC2=CC=CC(Br)=C2N1 27901 [1,1,0,0,0,0|1,0,0]=3 185 B13R2.162 OC1=CC=C2C=CN=C(Cl)C2=C1 34766 [1,1,0,0,0,0|2,0,0]=4 186 B13R2.162 OC1=CC=C2N=CC=C(Br)C2=C1 8309 [1,1,0,0,0,0|2,0,0]=4 187 B13R2.162 OC1=NC2=C(O)C=CC=C2C=C1 7554 [1,1,0,0,0,0|1,0,1]=4 188 B13R2.328 CC1=CC(C)=NC2=CC=CC=C12 5875 [1,1,0,0,0,0|2,0,0]=4 189 B13R2.328 CC1=CC(Cl)=NC2=CC=CC=C12 5879 [1,1,0,0,0,0|2,0,0]=4 190 B13R2.328 CC1=CC(O)=NC2=CC=CC=C12 5862 [1,1,0,0,0,0|1,0,1]=4 191 B13R2.328 FC1=CC(Br)=CC2=CC=CC=C12 13690 [1,1,0,0,0,0|2,0,0]=4 192 B13R2.328 NC1=CC(=O)C2=CC=CC=C2N1 13209 [1,1,0,0,0,0|2,0,0]=4 193 B13R2.328 NC1=CC(Br)=NC2=CC=CC=C12 27641 [1,1,0,0,0,0|2,0,0]=4 194 B13R2.328 NC1=NC2=CC=CC=C2C(Br)=C1 27898 [1,1,0,0,0,0|2,0,0]=4 195 B13R2.328 NC1=NC2=CC=CC=C2C(Cl)=C1 27781 [1,1,0,0,0,0|2,0,0]=4 196 B13R2.328 O=C1C=C(O)C2=CC=CC=C2O1 8693 [1,1,0,0,0,0|0,0,0]=2 197 B13R2.328 O=C1NC2=CC=CC=C2C(=O)O1 13599 [1,1,0,0,0,0|2,0,0]=4 198 B13R2.328 OC1=CC(O)=NC2=CC=CC=C12 7556 [1,1,0,0,0,0|1,0,1]=4 199 B13R2.328 OC1=CC2=CC=CC=C2C(O)=C1 26197 [1,1,0,0,0,0|1,0,0]=3 200 B13R2.3683 BrC1=CC2=CC=C(I)C=C2N=C1 35122 [1,1,0,0,0,0|2,0,0]=4 201 B13R2.3683 CC1=CC=C2C=C(O)C=CC2=C1 33548 [1,1,0,0,0,0|1,0,0]=3 202 B13R2.3683 CC1=CC=C2N=C(C)C=CC2=C1 5876 [1,1,0,0,0,0|2,0,0]=4 203 B13R2.3683 CC1=CC=C2N=C(Cl)C=CC2=C1 13893 [1,1,0,0,0,0|2,0,0]=4 204 B13R2.3683 CC1=CC=C2OC(=O)C=CC2=C1 9755 [1,1,0,0,0,0|0,0,0]=2 205 B13R2.3683 CC1=NC2=CC=C(Br)C=C2C=C1 5882 [1,1,0,0,0,0|2,0,0]=4 206 B13R2.3683 CC1=NC2=CC=C(F)C=C2C=C1 7579 [1,1,0,0,0,0|2,0,0]=4 207 B13R2.3683 ClC1=CC2=CC=C(Br)C=C2N=C1 21575 [1,1,0,0,0,0|2,0,0]=4 208 B13R2.3683 ClC1=CC=C2C=C(Br)C=NC2=C1 21567 [1,1,0,0,0,0|2,0,0]=4 209 B13R2.3683 ClC1=CC=C2N=C(Br)C=CC2=C1 25737 [1,1,0,0,0,0|2,0,0]=4 210 B13R2.3683 ClC1=NC2=CC=C(Br)C=C2C=C1 14631 [1,1,0,0,0,0|2,0,0]=4 211 B13R2.3683 ClC1=NC2=CC=C(I)C=C2C=C1 14689 [1,1,0,0,0,0|2,0,0]=4 212 B13R2.3683 FC1=CC=C2C=C(Br)C=CC2=C1 12551 [1,1,0,0,0,0|2,0,0]=4 213 B13R2.3683 NC1=CC2=CC=C(Cl)C=C2N=C1 21568 [1,1,0,0,0,0|2,0,0]=4 214 B13R2.3683 NC1=CC2=CC=C(F)C=C2C=C1 27846 [1,1,0,0,0,0|2,0,0]=4 215 B13R2.3683 NC1=CC=C2NC(=O)C=CC2=C1 27592 [1,1,0,0,0,0|1,0,0]=3 216 B13R2.3683 NC1=CC=C2NC(=O)C=NC2=C1 34827 [1,1,0,0,0,0|2,0,0]=4 217 B13R2.3683 O=C1C=CC2=CC(Br)=CC=C2N1 17808 [1,1,0,0,0,0|1,0,0]=3 218 B13R2.3683 O=C1C=CC2=CC(Cl)=CC=C2N1 25736 [1,1,0,0,0,0|1,0,0]=3 219 B13R2.3683 O=C1C=CC2=CC(F)=CC=C2N1 26337 [1,1,0,0,0,0|1,0,0]=3 220 B13R2.3683 O=C1C=CC2=CC(O)=CC=C2O1 11099 [1,1,0,0,0,0|0,0,0]=2 221 B13R2.3683 O=C1C=NC2=CC(Br)=CC=C2N1 18436 [1,1,0,0,0,0|2,0,0]=4 222 B13R2.3683 O=C1C=NC2=CC(Cl)=CC=C2N1 18351 [1,1,0,0,0,0|2,0,0]=4 223 B13R2.3683 O=C1CCC2=CC(Br)=CC=C2O1 17577 [1,1,0,0,0,0|0,0,2]=4 224 B13R2.3683 O=C1CCC2=CC(Br)=CC=C2O1 34522 [1,1,0,0,0,0|0,0,2]=4 225 B13R2.3683 O=C1N=CC2=CC(Br)=CC=C2N1 35223 [1,1,0,0,0,0|2,0,0]=4 226 B13R2.3683 OC1=CC2=CC=C(Br)C=C2C=C1 2170 [1,1,0,0,0,0|1,0,0]=3 227 B13R2.3683 OC1=CC2=CC=C(Cl)C=C2C=C1 27928 [1,1,0,0,0,0|1,0,0]=3 228 B13R2.3683 OC1=CC2=CC=C(F)C=C2C=C1 27847 [1,1,0,0,0,0|1,0,0]=3 229 B13R2.5179 BrC1=C2N=CC(I)=CC2=CC=C1 27663 [1,1,0,0,0,0|2,0,0]=4 230 B13R2.5179 CC1=CC=C2C(N)=CC=CC2=C1 34782 [1,1,0,0,0,0|2,0,0]=4 231 B13R2.5179 ClC1=NC2=CC=CC(Cl)=C2C=C1 24683 [1,1,0,0,0,0|2,0,0]=4 232 B13R2.5179 FC1=C2N=CC(I)=CC2=CC=C1 35230 [1,1,0,0,0,0|2,0,0]=4 233 B13R2.5179 NC1=CC=C2C(O)=CC=CC2=C1 12474 [1,1,0,0,0,0|2,0,0]=4 234 B13R2.5179 NC1=CC=CC2=CC(F)=CC=C12 34829 [1,1,0,0,0,0|2,0,0]=4 235 B13R2.5179 NC1=NC2=CC=CC(Br)=C2C=C1 27897 [1,1,0,0,0,0|2,0,0]=4 236 B13R2.5179 OC1=CC2=NC=CC(Cl)=C2N=C1 34626 [1,1,0,0,0,0|2,0,0]=4 237 B13R2.45 CC1=C(C=O)SC2=C1C=CC=C2 7453 [0,1,0,0,1,0|1,1,0]=4 238 B13R2.45 O=CC1=C(Cl)C2=C(C=CC=C2)S1 17140 [0,1,0,0,1,0|1,1,0]=4 239 B13R2.135 CC1=C(C=O)C2=CC=CC=C2N1 7437 [0,1,0,0,1,0|2,0,0]=4 240 B13R2.135 O=CC1=C(Br)SC2=C1C=CC=C2 34481 [0,1,0,0,1,0|2,0,0]=4 241 B13R2.3028 CC1=CC=C2NC(=O)C(=O)C2=C1 13606 [0,1,0,0,1,0|1,0,1]=4 242 B13R2.3028 O=C1NC2=CC=C(Br)C=C2C1=O 1666 [0,1,0,0,1,0|1,0,1]=4 243 B13R2.3028 O=C1NC2=CC=C(Cl)C=C2C1=O 13607 [0,1,0,0,1,0|1,0,1]=4 244 B13R2.3028 O=C1NC2=CC=C(F)C=C2C1=O 1685 [0,1,0,0,1,0|1,0,1]=4 245 B13R2.3028 O=C1NC2=CC=C(I)C=C2C1=O 15509 [0,1,0,0,1,0|1,0,1]=4 246 B13R2.3085 O=C1C2=CC=CC=C2C(=O)N1O 17315 [0,1,0,0,1,0|1,0,0]=3 247 B13R2.4825 O=C1NC2=C(Br)C=CC=C2C1=O 16675 [0,1,0,0,1,0|1,0,1]=4 248 B13R2.4825 O=C1NC2=C(Cl)C=CC=C2C1=O 15537 [0,1,0,0,1,0|1,0,1]=4 249 B13R2.4825 O=C1NC2=C(F)C=CC=C2C1=O 1955 [0,1,0,0,1,0|1,0,1]=4 250 B13R2.4825 O=C1NC2=C(I)C=CC=C2C1=O 20658 [0,1,0,0,1,0|1,0,1]=4 251 B13R2.4856 O=C1NC2=CC=CC(Br)=C2C1=O 3903 [0,1,0,0,1,0|1,0,1]=4 252 B13R2.4856 O=C1NC2=CC=CC(Cl)=C2C1=O 13911 [0,1,0,0,1,0|1,0,1]=4 253 B13R2.5190 O=C1NC2=CC(Br)=CC=C2C1=O 29201 [0,1,0,0,1,0|1,0,1]=4 254 B13R2.5190 O=C1NC2=CC(Cl)=CC=C2C1=O 13996 [0,1,0,0,1,0|1,0,1]=4 255 B13R2.5190 O=C1NC2=CC(F)=CC=C2C1=O 20320 [0,1,0,0,1,0|1,0,1]=4 256 B15R2.888 O\N=C\C1=CC2=CC=CC=C2N=C1Cl 5938 [0,2,0,0,0,0|2,0,0]=4 257 B15R2.984 CC(=O)C1=CC2=CC=CC=C2OC1=O 8664 [0,2,0,0,0,0|0,0,1]=3 258 B15R2.984 O=C(O)C1=CC2=CC=CC=C2OC1=O 11094 [0,2,0,0,0,0|0,0,0]=2 259 B15R2.984 OB(O)C1=CC2=CC=CC=C2N=C1Cl 28993 [0,2,0,0,0,0|2,0,0]=4 260 B15R2.1754 N#CC1=CC2=CC=C(O)C=C2OC1=O 11028 [0,2,0,0,0,0|1,0,0]=3 261 B15R2.1824 N#CC1=CC2=CC(Cl)=CC=C2NC1=O 22715 [0,2,0,0,0,0|2,0,0]=4 262 B15R2.21243 CN1C(=O)C(C=O)=CC2=CC=CC=C21 15921 [0,2,0,0,0,0|1,0,1]=4 263 B15R2.21243 CN1C(=O)C(CCl)=CC2=CC=CC=C21 15944 [0,2,0,0,0,0|2,0,0]=4 264 B15R2.9032 CC1=C(O)C(=O)C2=CC=CC=C2N1C 23750 [0,2,0,0,0,0|2,0,0]=4 265 B13R2.435 CC(=O)C1=CC2=C(C=CC=C2)O1 6959 [0,0,1,1,0,0|1,0,0]=3 266 B13R2.435 CC(=O)C1=CC2=C(C=CC=C2)S1 9425 [0,0,1,1,0,0|1,1,0]=4 267 B13R2.435 NC(=O)C1=CC2=CC=CC=C2N1 20200 [0,0,1,1,0,0|2,0,0]=4 268 B13R2.435 O=C(Cl)C1=CC2=C(C=CC=C2)O1 7016 [0,0,1,1,0,0|1,0,0]=3 269 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)O1 7019 [0,0,1,1,0,0|0,0,0]=2 270 B13R2.435 O=C(O)C1=CC2=C(C=CN=C2)S1 28045 [0,0,1,1,0,0|1,1,0]=4 271 B13R2.435 O=C(O)C1=CC2=CC=CC=C2N1 1690 [0,0,1,1,0,0|1,0,0]=3 272 B13R2.435 O=C(O)C1=CC2=CC=CN=C2N1 20647 [0,0,1,1,0,0|2,0,0]=4 273 B13R2.435 O=C(O)C1=CC2=CC=CN=C2O1 20928 [0,0,1,1,0,0|1,0,0]=3 274 B13R2.435 O=C(O)C1=CC2=CC=CN=C2S1 28037 [0,0,1,1,0,0|1,1,0]=4 275 B13R2.435 O=C(O)C1=CC2=CC=NC=C2S1 32509 [0,0,1,1,0,0|1,1,0]=4 276 B13R2.435 O=C(O)C1=CC2=NC=CC=C2N1 20924 [0,0,1,1,0,0|2,0,0]=4 277 B13R2.435 O=C(O)C1=CC2=NC=CC=C2S1 33061 [0,0,1,1,0,0|1,1,0]=4 278 B13R2.435 O=C(O)C1=NC2=C(C=CC=C2)N1 8062 [0,0,1,1,0,0|2,0,0]=4 279 B13R2.435 O=C(O)C1=NC2=C(C=CC=C2)O1 15844 [0,0,1,1,0,0|1,0,0]=3 280 B13R2.435 O=C(O)C1=NN2C=CC=CC2=C1 15887 [0,0,1,1,0,0|2,0,0]=4 281 B13R2.435 OB(O)C1=CC2=C(C=CC=C2)O1 1754 [0,0,1,1,0,0|1,0,1]=4 282 B13R2.1613 O=CC1=CC=CC2=CC=CC=C12 9369 [0,0,1,1,0,0|2,0,0]=4 283 B13R2.1613 O=CC1=NC=CC2=CC=CC=C21 23792 [0,0,1,1,0,0|2,0,0]=4 284 B11R1.36 C=C(C(=O)O)C1=CC=CC=C1 35902 [0,0,1,0,1,0|1,0,0]=3 285 B11R1.36 CC(C(=O)O)C1=CC=CC=C1 21081 [0,0,1,0,1,0|1,0,1]=4 286 B11R1.36 C[C@@H](C(=O)O)c1ccccc1 6079 [0,0,1,0,1,0|1,0,1]=4 287 B11R1.36 C[C@H](C(=O)O)c1ccccc1 6862 [0,0,1,0,1,0|1,0,1]=4 288 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 16811 [0,0,1,0,1,0|1,0,1]=4 289 B11R1.36 N[C@@H](C(=O)O)c1ccccc1 11005 [0,0,1,0,1,0|1,0,1]=4 290 B11R1.36 N[C@H](C(=O)O)c1ccccc1 23858 [0,0,1,0,1,0|1,0,1]=4 291 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 6066 [0,0,1,0,1,0|0,0,1]=3 292 B11R1.36 O=C(O)[C@@H](O)c1ccccc1 6067 [0,0,1,0,1,0|0,0,1]=3 293 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 21083 [0,0,1,0,1,0|0,0,1]=3 294 B11R2.1 BrC1=CNC2=CC=CC=C12 11087 [1,0,0,0,1,0|2,0,0]=4 295 B11R2.1 BrC1=COC2=C1C=CC=C2 28021 [1,0,0,0,1,0|1,0,0]=3 296 B11R2.1 BrC1=CSC2=C1C=CC=C2 13106 [1,0,0,0,1,0|1,1,0]=4 297 B11R2.1 CC1=CCC2=CC=CC=C12 15081 [1,0,0,0,1,0|1,0,1]=4 298 B11R2.1 CC1=CNC2=CC=CC=C12 7505 [1,0,0,0,1,0|2,0,0]=4 299 B11R2.1 CC1=CSC2=C1C=CC=C2 13547 [1,0,0,0,1,0|1,1,0]=4 300 B11R2.1 CC1C=CC2=CC=CC=C21 15080 [1,0,0,0,1,0|1,0,1]=4 301 B11R2.1 CN1C=CC2=CC=CC=C21 7436 [1,0,0,0,1,0|2,0,0]=4 302 B11R2.1 ClC1=CNC2=CC=CC=C12 25672 [1,0,0,0,1,0|2,0,0]=4 303 B11R2.1 ClC1=NOC2=C1C=CC=C2 8716 [1,0,0,0,1,0|2,0,0]=4 304 B11R2.1 NC1=NOC2=C1C=CC=C2 14511 [1,0,0,0,1,0|2,0,0]=4 305 B11R2.1 O=C1CCC2=CC=CC=C12 5339 [1,0,0,0,1,0|0,0,2]=4 306 B11R2.1 O=C1COC2=C1C=CC=C2 7023 [1,0,0,0,1,0|0,0,2]=4 307 B11R2.1 O=C1CSC2=C1C=CC=C2 23797 [1,0,0,0,1,0|1,0,1]=4 308 B11R2.1 O=C1NCC2=CC=CC=C12 25108 [1,0,0,0,1,0|1,0,1]=4 309 B11R2.1 O=C1NNC2=CC=CC=C12 28083 [1,0,0,0,1,0|2,0,0]=4 310 B11R2.1 O=C1NSC2=C1C=CC=C2 15685 [1,0,0,0,1,0|2,0,0]=4 311 B11R2.1 O=C1OCC2=CC=CC=C12 22169 [1,0,0,0,1,0|1,0,1]=4 312 B11R2.1 O=C1SSC2=C1C=CC=C2 32197 [1,0,0,0,1,0|2,0,0]=4 313 B11R2.1 OC1=CNC2=CC=CC=C12 7264 [1,0,0,0,1,0|1,0,0]=3 314 B11R2.1 OC1=NOC2=C1C=CC=C2 27626 [1,0,0,0,1,0|1,0,0]=3 315 B11R2.10 BrC1=CC2=C(C=CC=C2)O1 13460 [1,0,0,0,1,0|1,0,0]=3 316 B11R2.10 BrC1=CC2=CC=CC=C2C1 9657 [1,0,0,0,1,0|1,0,1]=4 317 B11R2.10 BrC1=NC2=C(C=CC=C2)O1 33485 [1,0,0,0,1,0|2,0,0]=4 318 B11R2.10 CC1=CC2=CC=CC=C2C1 5381 [1,0,0,0,1,0|1,0,1]=4 319 B11R2.10 CC1=CC2=CC=CC=C2N1 7504 [1,0,0,0,1,0|2,0,0]=4 320 B11R2.10 CC1=NC2=C(C=CC=C2)O1 8631 [1,0,0,0,1,0|2,0,0]=4 321 B11R2.10 ClC1=NC2=C(C=CC=C2)O1 21885 [1,0,0,0,1,0|2,0,0]=4 322 B11R2.10 NC1=NC2=C(C=CC=C2)O1 17695 [1,0,0,0,1,0|2,0,0]=4 323 B11R2.10 O=C1CC2=C(C=CC=C2)O1 22170 [1,0,0,0,1,0|0,0,1]=3 324 B11R2.10 O=C1CC2=CC=CC=C2C1 9653 [1,0,0,0,1,0|1,0,1]=4 325 B11R2.10 O=C1CC2=CC=CC=C2N1 7177 [1,0,0,0,1,0|1,0,1]=4 326 B11R2.10 O=C1NC2=C(C=CC=C2)O1 8633 [1,0,0,0,1,0|1,0,0]=3 327 B11R2.10 O=C1NC2=C(C=CC=C2)S1 21831 [1,0,0,0,1,0|1,1,0]=4 328 B11R2.10 O=C1NC2=NC=CC=C2O1 11061 [1,0,0,0,1,0|2,0,0]=4 329 B11R2.10 OC1=CN2C=CC=CC2=N1 23702 [1,0,0,0,1,0|2,0,0]=4 330 B11R2.10 OC1=NC2=C(C=CC=C2)N1 7606 [1,0,0,0,1,0|2,0,0]=4 331 B11R2.10 SC1=NC2=C(C=CC=C2)O1 8630 [1,0,0,0,1,0|1,1,0]=4 332 B11R2.36 OC1=CC2=C(C=C1)OC=C2 34267 [1,0,0,0,1,0|2,0,0]=4 333 B11R2.36 OC1=CC2=C(C=CO2)C=C1 28025 [1,0,0,0,1,0|2,0,0]=4 334 B11R2.36 OC1=CC2=C(C=CS2)C=C1 33018 [1,0,0,0,1,0|2,0,0]=4 335 B11R2.36 OC1=CC=C2C=CNC2=C1 7261 [1,0,0,0,1,0|2,0,0]=4 336 B11R2.36 OC1=CC=C2NC=CC2=C1 7263 [1,0,0,0,1,0|2,0,0]=4 337 B11R2.36 OC1=CN=C2C=CNC2=C1 26986 [1,0,0,0,1,0|2,0,0]=4 338 B11R2.36 OC1=CN=C2NC=CC2=C1 16594 [1,0,0,0,1,0|2,0,0]=4 339 B13R1.348 O=C(O)CC(=O)NC1=CC=CC=C1 25817 [0,0,1,0,0,1|1,0,1]=4 340 B13R1.351 C[C@H](O)C(=O)OCC1=CC=CC=C1 36205 [0,0,1,0,0,1|0,0,2]=4 341 B13R1.351 O=C(O)C(=O)CCC1=CC=CC=C1 18755 [0,0,1,0,0,1|0,0,2]=4 342 B13R1.351 O=C(O)[C@H](O)CCc1ccccc1 5687 [0,0,1,0,0,1|0,0,2]=4 343 B13R2.33 O=C1C=NC2=C(C=CC=C2)C=N1 2017 [1,0,0,0,0,1|1,0,1]=4