0 B13R2.369 CC1=CC2=C(C=CC=N2)C=C1Br CS-W007221 [0,0,0,0,0,0|4,0,0]=4 1 B13R2.369 CC1OC2=C(C=CC=C2)NC1=O CS-0035849 [0,0,0,0,0,0|2,0,1]=3 2 B13R2.369 N=C1NC2=CC=CC=C2C=C1Br CS-W006722 [0,0,0,0,0,0|2,0,0]=2 3 B12R2.24 BrC1=CC2=C(C=CC=C2)C=N1 CS-B0168 [1,0,0,0,0,0|3,0,0]=4 4 B12R2.24 BrC1=CC2=CC=CC=C2C=C1 CS-W007537 [1,0,0,0,0,0|2,0,0]=3 5 B12R2.24 BrC1=CC2=CC=CC=C2N=C1 CS-W019978 [1,0,0,0,0,0|1,0,1]=3 6 B12R2.24 BrC1=CC2=CN=CC=C2C=C1 CS-W019889 [1,0,0,0,0,0|3,0,0]=4 7 B12R2.24 BrC1=CC=C2C=NC=CC2=C1 CS-D0847 [1,0,0,0,0,0|3,0,0]=4 8 B12R2.24 CC1=NC2=C(C=CC=N2)C=C1 CS-W016386 [1,0,0,0,0,0|2,0,1]=4 9 B12R2.24 CC1=NC2=CC=CN=C2C=C1 CS-0021495 [1,0,0,0,0,0|2,0,1]=4 10 B12R2.24 ClC1=CC2=CC=CC=C2C=N1 CS-D0870 [1,0,0,0,0,0|3,0,0]=4 11 B12R2.24 ClC1=CC=C2N=CC=CC2=C1 CS-W007925 [1,0,0,0,0,0|3,0,0]=4 12 B12R2.24 ClC1=NC2=CC=CC=C2N=C1 CS-W016083 [1,0,0,0,0,0|2,0,1]=4 13 B12R2.24 FC1=CC=C2C=CN=CC2=C1 CS-W006329 [1,0,0,0,0,0|3,0,0]=4 14 B12R2.24 IC1=CC2=CC=CC=C2C=C1 CS-W005581 [1,0,0,0,0,0|2,0,0]=3 15 B12R2.24 NC1=CC2=C(C=CC=N2)C=C1 CS-W018597 [1,0,0,0,0,0|3,0,0]=4 16 B12R2.24 NC1=CC2=CC=CC=C2C=N1 CS-W009009 [1,0,0,0,0,0|3,0,0]=4 17 B12R2.24 NC1=CC=C2C=CC=NC2=C1 CS-0037457 [1,0,0,0,0,0|3,0,0]=4 18 B12R2.24 NC1=CC=C2N=CC=CC2=C1 CS-W007404 [1,0,0,0,0,0|3,0,0]=4 19 B12R2.24 O=C1C=CC2=NC=CN=C2N1 CS-0097930 [1,0,0,0,0,0|2,0,0]=3 20 B12R2.24 O=C1C=NC2=CC=CC=C2N1 CS-W018235 [1,0,0,0,0,0|1,0,0]=2 21 B12R2.24 O=C1CC2=CC=CC=C2CO1 CS-W016337 [1,0,0,0,0,0|2,0,1]=4 22 B12R2.24 O=C1CNC2=C(C=CC=C2)N1 CS-0046843 [1,0,0,0,0,0|1,0,1]=3 23 B12R2.24 O=C1COC2=CC=CC=C2O1 CS-0062232 [1,0,0,0,0,0|2,0,1]=4 24 B12R2.24 OC1=CC=C2N=CC=CC2=N1 CS-0039082 [1,0,0,0,0,0|1,0,2]=4 25 B14R2.639 CC1(C)NC2=C(C=CC=C2)NC1=O CS-W023074 [0,1,0,0,0,0|2,0,1]=4 26 B14R2.8188 CC1=NC2=CC=CC=C2C(Cl)=C1Br CS-M3199 [0,1,0,0,0,0|2,0,1]=4 27 B14R2.8188 CN1C(=O)C(Br)=CC2=CC=CC=C21 CS-W020422 [0,1,0,0,0,0|1,0,0]=2 28 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O CS-W005088 [0,0,1,0,0,0|2,0,1]=4 29 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 CS-W007567 [0,0,1,0,0,0|1,0,2]=4 30 B12R2.18 CC1=C(Br)C2=CC=CC=C2O1 CS-0061201 [0,0,0,0,1,0|3,0,0]=4 31 B12R2.18 CC1=C(C)C2=CC=CC=C2N1 CS-W010999 [0,0,0,0,1,0|2,0,0]=3 32 B11R1.40 O=C(CBr)NC1=CC=CC=C1 CS-D0368 [1,0,1,0,0,0|1,0,1]=4 33 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 CS-W013311 [1,0,1,0,0,0|1,0,0]=3 34 B11R1.91 O=C(O)CNC1=CC=CC=C1 CS-W016312 [1,0,1,0,0,0|1,0,1]=4 35 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 CS-W018179 [1,0,1,0,0,0|2,0,0]=4 36 B11R1.86 O=C(O)CC1=CC=CC=C1Br CS-W007544 [1,0,1,0,0,0|1,0,1]=4 37 B13R2.32 NC1=C(Cl)C2=CC=CC=C2N=C1 CS-0060572 [1,1,0,0,0,0|1,0,1]=4 38 B13R2.32 OC1=C(Br)C2=CC=CC=C2C=C1 CS-W007565 [1,1,0,0,0,0|1,0,0]=3 39 B13R2.57 C#CC1=CC2=CC=CC=C2C=C1 CS-W005234 [1,1,0,0,0,0|2,0,0]=4 40 B13R2.57 C#CC1=CC2=CC=CC=C2N=C1 CS-0102193 [1,1,0,0,0,0|1,0,1]=4 41 B13R2.57 COC1=CC2=C(C=C1)C=NC=C2 CS-0005444 [1,1,0,0,0,0|2,0,0]=4 42 B13R2.57 COC1=CC=C2N=CC=CC2=C1 CS-W017948 [1,1,0,0,0,0|2,0,0]=4 43 B13R2.57 COC1=NC2=CC=CC=C2C=C1 CS-W006119 [1,1,0,0,0,0|0,0,2]=4 44 B13R2.57 ClCC1=NC2=CC=CC=C2C=C1 CS-W023193 [1,1,0,0,0,0|1,0,1]=4 45 B13R2.57 N#CC1=NC2=CC=CC=C2C=C1 CS-0007614 [1,1,0,0,0,0|1,0,1]=4 46 B13R2.57 O=CC1=CC2=CC=CC=C2N=C1 CS-W002012 [1,1,0,0,0,0|0,0,2]=4 47 B13R2.57 O=CC1=CC=C2N=CC=CC2=C1 CS-W018545 [1,1,0,0,0,0|2,0,0]=4 48 B13R2.155 CC1=CC=C2C=CC(=O)OC2=C1 CS-0032411 [1,1,0,0,0,0|1,0,0]=3 49 B13R2.155 CC1=CC=C2C=CC(C)=CC2=C1 CS-0038993 [1,1,0,0,0,0|2,0,0]=4 50 B13R2.155 CC1=NC2=C(C=CC(Br)=C2)C=C1 CS-W006479 [1,1,0,0,0,0|1,0,1]=4 51 B13R2.155 CC1=NC2=CC(Cl)=CC=C2C=C1 CS-W020576 [1,1,0,0,0,0|1,0,1]=4 52 B13R2.155 O=C1C=CC2=C(C=C(Cl)C=C2)N1 CS-W006065 [1,1,0,0,0,0|0,0,0]=2 53 B13R2.155 O=C1NCC2=C(C=C(Br)C=C2)N1 CS-0041907 [1,1,0,0,0,0|1,0,1]=4 54 B13R2.155 OC1=CC2=CC(Br)=CC=C2N=C1 CS-D0104 [1,1,0,0,0,0|0,0,1]=3 55 B13R2.155 OC1=CC2=NC(Cl)=CC=C2C=C1 CS-0060431 [1,1,0,0,0,0|1,0,1]=4 56 B13R2.162 CC1=C2N=C(Cl)C=CC2=CC=C1 CS-W021670 [1,1,0,0,0,0|1,0,1]=4 57 B13R2.162 ClC1=NC2=C(C=CC=C2Br)C=C1 CS-W005368 [1,1,0,0,0,0|1,0,1]=4 58 B13R2.162 NC1=C2C=C(Br)C=NC2=CC=C1 CS-0058711 [1,1,0,0,0,0|1,0,1]=4 59 B13R2.162 O=C1C=CC2=CC=CC(O)=C2O1 CS-B1326 [1,1,0,0,0,0|1,0,0]=3 60 B13R2.162 O=C1CCC2=C(N1)C(Cl)=CC=C2 CS-0101668 [1,1,0,0,0,0|0,0,2]=4 61 B13R2.162 O=C1COC2=CC=CC(F)=C2N1 CS-0085234 [1,1,0,0,0,0|1,0,1]=4 62 B13R2.162 OC1=CC=C2C=CC=C(F)C2=C1 CS-D0205 [1,1,0,0,0,0|1,0,0]=3 63 B13R2.162 OC1=CC=CC2=C1C=C(Br)C=N2 CS-W006714 [1,1,0,0,0,0|1,0,1]=4 64 B13R2.328 CC1=CC(O)=NC2=CC=CC=C12 CS-0097736 [1,1,0,0,0,0|0,0,2]=4 65 B13R2.328 CC1=NC2=CC=CC=C2C(N)=C1 CS-W017955 [1,1,0,0,0,0|1,0,1]=4 66 B13R2.328 ClC1=CC(Cl)=NC2=CC=CC=C12 CS-D0244 [1,1,0,0,0,0|1,0,1]=4 67 B13R2.328 O=C1C=C(Cl)C2=C(C=CC=C2)O1 CS-0101677 [1,1,0,0,0,0|1,0,0]=3 68 B13R2.328 O=C1CC2=CC=CC=C2C(=O)O1 CS-W010863 [1,1,0,0,0,0|2,0,0]=4 69 B13R2.328 O=C1NC(=S)NC2=C1C=CC=C2 CS-0063895 [1,1,0,0,0,0|1,1,0]=4 70 B13R2.328 OC1=C2C=CC=CC2=CC(Br)=C1 CS-0040490 [1,1,0,0,0,0|2,0,0]=4 71 B13R2.3683 BrC1=CC2=CC=C(I)C=C2N=C1 CS-0062122 [1,1,0,0,0,0|1,0,1]=4 72 B13R2.3683 BrC1=CC=C2C=C(I)C=CC2=C1 CS-0030382 [1,1,0,0,0,0|2,0,0]=4 73 B13R2.3683 O=C1C=CC2=C(C=CC(F)=C2)N1 CS-0046872 [1,1,0,0,0,0|0,0,0]=2 74 B13R2.3683 O=C1C=CC2=CC(Cl)=CN=C2N1 CS-0043046 [1,1,0,0,0,0|1,0,0]=3 75 B13R2.3683 O=C1CCC2=C(C=CC(O)=C2)N1 CS-W002905 [1,1,0,0,0,0|0,0,2]=4 76 B13R2.3683 O=C1COC2=CC(Br)=CC=C2N1 CS-W005367 [1,1,0,0,0,0|1,0,1]=4 77 B13R2.3683 OC1=CC=C2C=C(Br)C=NC2=C1 CS-0041973 [1,1,0,0,0,0|1,0,1]=4 78 B13R2.3683 OC1=CC=C2C=C(Cl)C=CC2=C1 CS-0102646 [1,1,0,0,0,0|1,0,0]=3 79 B13R2.5179 O=C1CCC2=C(C=CC=C2Br)N1 CS-W019900 [1,1,0,0,0,0|0,0,2]=4 80 B13R2.5179 O=C1CCC2=C(C=CC=C2O)N1 CS-0059153 [1,1,0,0,0,0|0,0,2]=4 81 B13R2.5179 OC1=CC2=CC=CC(O)=C2C=C1 CS-W023110 [1,1,0,0,0,0|1,0,0]=3 82 B13R2.5179 OC1=CC=C2C(Cl)=CC=NC2=C1 CS-W019012 [1,1,0,0,0,0|2,0,0]=4 83 B13R2.45 O=CC1=C(Br)C2=C(C=CC=C2)N1 CS-0103336 [0,1,0,0,1,0|1,0,0]=3 84 B13R2.135 O=CC1=C(Br)NC2=C1C=CC=C2 CS-0037200 [0,1,0,0,1,0|1,0,1]=4 85 B13R2.135 O=CC1C2=CC=CC=C2N=C1O CS-0043887 [0,1,0,0,1,0|1,0,1]=4 86 B13R2.3028 O=C1NC2=C(C=C(Cl)C=C2)C1=O CS-D1123 [0,1,0,0,1,0|0,0,1]=3 87 B13R2.3085 O=C1C2=CC=CC=C2C(=O)N1Br CS-W013032 [0,1,0,0,1,0|2,0,0]=4 88 B13R2.4825 CC1=C2NC(=O)C(=O)C2=CC=C1 CS-W007719 [0,1,0,0,1,0|0,0,1]=3 89 B13R2.4856 O=C1NC2=CC=CC(F)=C2C1=O CS-W018814 [0,1,0,0,1,0|0,0,1]=3 90 B13R2.5190 O=C1NC2=C(C=CC(Br)=C2)C1=O CS-W002793 [0,1,0,0,1,0|0,0,1]=3 91 B13R2.5190 O=C1NC2=C(C=CC(F)=C2)C1=O CS-0020156 [0,1,0,0,1,0|0,0,1]=3 92 B15R2.984 NC1=CC2=CC=CC=C2C=C1C(=O)O CS-W005148 [0,2,0,0,0,0|2,0,0]=4 93 B15R2.984 O=C(O)C1=CC2=CC=CC=C2N=C1Cl CS-0097845 [0,2,0,0,0,0|1,0,1]=4 94 B15R2.984 O=C(O)C1=CC2=CC=CC=C2NC1=O CS-W023156 [0,2,0,0,0,0|0,0,0]=2 95 B15R2.63893 CC1=C(Br)C(=O)OC2=CC(O)=CC=C21 CS-0046832 [0,2,0,0,0,0|2,0,0]=4 96 B13R2.435 CC(=O)C1=CC2=CC=CC=C2O1 CS-0059232 [0,0,1,1,0,0|1,0,0]=3 97 B13R2.435 CC(=O)C1=CC2=CC=CC=C2S1 CS-D0712 [0,0,1,1,0,0|1,1,0]=4 98 B13R2.435 O=C(O)C1=CC2=CC=CC=C2S1 CS-W004876 [0,0,1,1,0,0|1,1,0]=4 99 B11R1.222 O=C(NO)C1=CC=CC=C1O CS-0014188 [0,0,1,0,1,0|2,0,0]=4 100 B11R2.1 BrC1=CNC2=C1C=CC=N2 CS-B0099 [1,0,0,0,1,0|2,0,0]=4 101 B11R2.1 BrC1=CSC2=CC=CC=C12 CS-W005311 [1,0,0,0,1,0|2,0,0]=4 102 B11R2.1 CC1=NNC2=C1C=CC=C2 CS-W019873 [1,0,0,0,1,0|2,0,0]=4 103 B11R2.1 CN1C=CC2=C1C=CC=C2 CS-W008981 [1,0,0,0,1,0|2,0,0]=4 104 B11R2.1 IC1=CNC2=C1C=CN=C2 CS-0041505 [1,0,0,0,1,0|2,0,0]=4 105 B11R2.1 NN1C=CC2=C1C=CC=C2 CS-D0779 [1,0,0,0,1,0|2,0,0]=4 106 B11R2.1 OC1=NCC2=CC=CC=C21 CS-W004767 [1,0,0,0,1,0|2,0,0]=4 107 B11R2.1 OC1=NNC2=C1C=CC=N2 CS-0044051 [1,0,0,0,1,0|2,0,0]=4 108 B11R2.1 OC1=NSC2=CC=CC=C21 CS-W018117 [1,0,0,0,1,0|2,0,0]=4 109 B11R2.10 BrC1=NC2=CC=CC=C2N1 CS-B1157 [1,0,0,0,1,0|2,0,0]=4 110 B11R2.10 CC1=CC2=C(C=CC=C2)S1 CS-W021725 [1,0,0,0,1,0|2,0,0]=4 111 B11R2.10 CC1=CC2=CC=CN=C2N1 CS-D0723 [1,0,0,0,1,0|2,0,0]=4 112 B11R2.10 CC1=NC2=CC=CC=C2N1 CS-W013410 [1,0,0,0,1,0|2,0,0]=4 113 B11R2.10 N=C1NC2=CC=CC=C2O1 CS-W007637 [1,0,0,0,1,0|2,0,0]=4 114 B11R2.10 NC1=NC2=CC=CC=C2N1 CS-D1373 [1,0,0,0,1,0|2,0,0]=4 115 B11R2.10 O=C1CC2=CC=CC=C2O1 CS-M0764 [1,0,0,0,1,0|1,0,1]=4 116 B11R2.10 O=C1CC2=CC=CN=C2N1 CS-W019704 [1,0,0,0,1,0|1,0,1]=4 117 B11R2.10 O=C1NC2=C(C=CC=C2)S1 CS-W019496 [1,0,0,0,1,0|1,0,0]=3 118 B11R2.10 O=C1NC2=NC=CC=C2O1 CS-0012220 [1,0,0,0,1,0|2,0,0]=4 119 B11R2.10 OC1=CC2=C(N=CC=C2)N1 CS-0044054 [1,0,0,0,1,0|1,0,0]=3