0 B13R2.369 C[C@@H]1NC2=C(C=CC=C2)NC1=O 08-5442 [0,0,0,0,0,0|2,0,1]=3 1 B13R2.369 ClC1=NC2=CC=CC=C2C=C1Br 08-4175 [0,0,0,0,0,0|2,0,1]=3 2 B13R2.369 FC1=CC2=CC=NC=C2C=C1F 08-10539 [0,0,0,0,0,0|4,0,0]=4 3 B13R2.369 NC1=CC2=C(C=CC=C2)OC1=O A-104 [0,0,0,0,0,0|2,0,0]=2 4 B13R2.369 NC1=NC2=C(C=CC=C2)OC1=O 08-6375 [0,0,0,0,0,0|3,0,0]=3 5 B13R2.369 O=C1OC2=C(C=CC=C2)C=C1O 020505 [0,0,0,0,0,0|1,0,0]=1 6 B13R2.369 O=C1OC2=C(C=CC=C2)C=C1O CS-353 [0,0,0,0,0,0|1,0,0]=1 7 B12R2.24 BrC1=CC2=CC=CC=C2C=N1 08-1716 [1,0,0,0,0,0|3,0,0]=4 8 B12R2.24 BrC1=CC2=CC=NC=C2C=C1 08-1707 [1,0,0,0,0,0|3,0,0]=4 9 B12R2.24 BrC1=CC2=CN=CC=C2C=C1 08-1708 [1,0,0,0,0,0|3,0,0]=4 10 B12R2.24 BrC1=CC2=NC=CC=C2C=C1 08-4252 [1,0,0,0,0,0|3,0,0]=4 11 B12R2.24 BrC1=CC2=NC=CC=C2N=C1 19-2849 [1,0,0,0,0,0|2,0,1]=4 12 B12R2.24 BrC1=NC2=CC=CC=C2C=C1 08-1791 [1,0,0,0,0,0|1,0,1]=3 13 B12R2.24 CC1=NC2=CC=CN=C2C=C1 08-7674 [1,0,0,0,0,0|2,0,1]=4 14 B12R2.24 ClC1=CC2=CN=CC=C2C=C1 08-10048 [1,0,0,0,0,0|3,0,0]=4 15 B12R2.24 ClC1=CC2=NC=CC=C2C=C1 08-10000 [1,0,0,0,0,0|3,0,0]=4 16 B12R2.24 FC1=CC2=CC=CC=C2C=C1 26-1742 [1,0,0,0,0,0|2,0,0]=3 17 B12R2.24 FC1=CC2=CC=NC=C2C=C1 08-10482 [1,0,0,0,0,0|3,0,0]=4 18 B12R2.24 IC1=CC2=CC=NC=C2C=C1 08-10002 [1,0,0,0,0,0|3,0,0]=4 19 B12R2.24 NC1=CC=C2C=CN=CC2=C1 08-1449 [1,0,0,0,0,0|3,0,0]=4 20 B12R2.24 NC1=CC=C2C=NC=CC2=C1 08-1448 [1,0,0,0,0,0|3,0,0]=4 21 B12R2.24 O=C1C=CC2=C(C=CC=C2)O1 020507S [1,0,0,0,0,0|1,0,0]=2 22 B12R2.24 O=C1C=CC2=C(C=CC=C2)O1 C-106 [1,0,0,0,0,0|1,0,0]=2 23 B12R2.24 O=C1C=CC2=CC=CNC2=N1 08-5526 [1,0,0,0,0,0|1,0,1]=3 24 B12R2.24 O=C1CCC2=C(C=CC=C2)O1 D-107 [1,0,0,0,0,0|1,0,2]=4 25 B12R2.24 O=C1CCC2=CC=CN=C2N1 08-5117 [1,0,0,0,0,0|1,0,2]=4 26 B12R2.24 O=C1COC2=C(C=CC=C2)N1 17-017 [1,0,0,0,0,0|1,0,1]=3 27 B12R2.24 O=C1CSC2=C(C=CC=C2)N1 19-600 [1,0,0,0,0,0|1,0,1]=3 28 B12R2.24 OC1=CC2=CC=CC=C2C=C1 025445S [1,0,0,0,0,0|1,0,0]=2 29 B12R2.24 OC1=CC2=CC=CC=C2C=N1 08-7461 [1,0,0,0,0,0|2,0,0]=3 30 B12R2.24 OC1=CC2=CC=CN=C2C=C1 08-10150 [1,0,0,0,0,0|2,0,0]=3 31 B14R2.1128 N#CC1=CC2=C(C=CC=C2)OC1=O 17-080 [0,1,0,0,0,0|2,0,0]=3 32 B14R2.1128 O=C1NC2=C(C=CC=C2)N=C1CBr 25-032 [0,1,0,0,0,0|2,0,0]=3 33 B14R2.8239 O=C1C=CC2=C(C=C(O)C(O)=C2)O1 D-108 [0,1,0,0,0,0|2,0,1]=4 34 B14R2.8239 O=C1C=CC2=CC(Cl)=C(O)C=C2O1 19-415 [0,1,0,0,0,0|3,0,0]=4 35 B12R1.43 C\C(=C/C1=CC=CC=C1)C(=O)O 19-825 [0,0,1,0,0,0|2,0,0]=3 36 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 04-2243 [0,0,1,0,0,0|1,0,2]=4 37 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 19-2524 [0,0,1,0,0,0|1,0,2]=4 38 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 BIO-683 [0,0,1,0,0,0|2,0,0]=3 39 B12R1.371 O=C(CCl)NC1=C(F)C=CC=C1 26-2717 [0,0,1,0,0,0|2,0,1]=4 40 B11R1.91 NC(=O)COC1=CC=CC=C1 CS-854 [1,0,1,0,0,0|1,0,1]=4 41 B11R1.91 NC(=O)CSC1=CC=CC=C1 08-9475 [1,0,1,0,0,0|1,0,1]=4 42 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 026024 [1,0,1,0,0,0|1,0,0]=3 43 B11R1.86 CC(=O)NC1=C(F)C=CC=C1 21-096 [1,0,1,0,0,0|1,0,1]=4 44 B11R1.86 NC(=O)NC1=C(F)C=CC=C1 26-1050 [1,0,1,0,0,0|2,0,0]=4 45 B11R1.86 O=C(O)CC1=C(Cl)C=CC=C1 CS-219 [1,0,1,0,0,0|1,0,1]=4 46 B11R1.86 O=C(O)CC1=C(F)C=CC=C1 21-139 [1,0,1,0,0,0|1,0,1]=4 47 B11R1.86 O=C(O)CC1=C(O)C=CC=C1 CS-592 [1,0,1,0,0,0|1,0,1]=4 48 B13R2.32 ClC1=C(I)C=NC2=CC=CC=C21 08-6932 [1,1,0,0,0,0|1,0,1]=4 49 B13R2.32 O=C1C(Br)=COC2=C1C=CC=C2 17-212 [1,1,0,0,0,0|2,0,0]=4 50 B13R2.32 OC1=C(Br)C2=CC=CC=C2N=C1 08-10381 [1,1,0,0,0,0|0,0,1]=3 51 B13R2.32 OC1=C(I)C=NC2=CC=CC=C21 08-7486 [1,1,0,0,0,0|1,0,1]=4 52 B13R2.57 C=CC1=CC2=CC=CC=C2C=C1 CS-970 [1,1,0,0,0,0|2,0,0]=4 53 B13R2.57 COC1=CC2=CC=CC=C2C=C1 CS-674 [1,1,0,0,0,0|1,0,0]=3 54 B13R2.57 COC1=CC2=CC=CN=C2C=C1 CS-709 [1,1,0,0,0,0|2,0,0]=4 55 B13R2.57 N#CC1=CC2=CC=CC=C2N=C1 08-10141 [1,1,0,0,0,0|1,0,1]=4 56 B13R2.57 O=CC1=CC2=CC=CC=C2C=N1 08-3644 [1,1,0,0,0,0|2,0,0]=4 57 B13R2.57 O=CC1=CC2=CC=CN=C2C=C1 08-2514 [1,1,0,0,0,0|2,0,0]=4 58 B13R2.57 O=CC1=CC2=CC=NC=C2C=C1 08-3646 [1,1,0,0,0,0|2,0,0]=4 59 B13R2.57 O=CC1=CC2=CN=CC=C2C=C1 08-3647 [1,1,0,0,0,0|2,0,0]=4 60 B13R2.57 O=CC1=CC2=NC=CC=C2C=C1 08-3314 [1,1,0,0,0,0|2,0,0]=4 61 B13R2.57 OCC1=CC2=CC=NC=C2C=C1 08-9988 [1,1,0,0,0,0|2,0,0]=4 62 B13R2.57 OCC1=CC2=CN=CC=C2C=C1 08-4372 [1,1,0,0,0,0|2,0,0]=4 63 B13R2.155 CC1=CC2=C(C=CC(=O)O2)C=C1 020521 [1,1,0,0,0,0|1,0,0]=3 64 B13R2.155 CC1=CC=C2C=CC(F)=CC2=N1 26-3774 [1,1,0,0,0,0|1,0,1]=4 65 B13R2.155 NC1=CC=C2N=CC(Br)=CC2=C1 08-5923 [1,1,0,0,0,0|1,0,1]=4 66 B13R2.155 O=C1C=CC2=C(C=C(O)C=C2)O1 H-017 [1,1,0,0,0,0|1,0,0]=3 67 B13R2.155 O=C1COC2=C(C=C(Cl)C=C2)N1 25-015 [1,1,0,0,0,0|1,0,1]=4 68 B13R2.155 OC1=CC=C2C=NC(Cl)=CC2=C1 08-10309 [1,1,0,0,0,0|2,0,0]=4 69 B13R2.162 NC1=C2C=C(Br)C=NC2=CC=C1 08-5922 [1,1,0,0,0,0|1,0,1]=4 70 B13R2.162 OC1=NC=C2C=CC=C(Br)C2=C1 08-10038 [1,1,0,0,0,0|2,0,0]=4 71 B13R2.328 CC1=CC(=O)C2=C(C=CC=C2)O1 19-2798 [1,1,0,0,0,0|2,0,0]=4 72 B13R2.328 ClC1=CC(Cl)=NC2=CC=CC=C12 22-414 [1,1,0,0,0,0|1,0,1]=4 73 B13R2.328 O=C1C=C(O)C2=C(C=CC=C2)O1 H-105 [1,1,0,0,0,0|1,0,0]=3 74 B13R2.3683 CC1=CC2=C(C=C1)NC(=O)CS2 25-025 [1,1,0,0,0,0|1,0,1]=4 75 B13R2.3683 CC1=CC2=C(C=C1)OC(=O)C=C2 020531 [1,1,0,0,0,0|1,0,0]=3 76 B13R2.3683 CC1=CC=C2C=C(F)C=CC2=N1 09-1256 [1,1,0,0,0,0|1,0,1]=4 77 B13R2.3683 ClC1=CC=C2C=C(Br)C=CC2=N1 08-1620 [1,1,0,0,0,0|1,0,1]=4 78 B13R2.3683 NC1=CC=C2C=C(Br)C=CC2=C1 08-4809 [1,1,0,0,0,0|2,0,0]=4 79 B13R2.3683 NC1=CC=C2C=C(Br)C=NC2=C1 08-5924 [1,1,0,0,0,0|1,0,1]=4 80 B13R2.3683 O=C1C=CC2=C(C=CC(Br)=C2)N1 08-1792 [1,1,0,0,0,0|0,0,0]=2 81 B13R2.3683 O=C1C=CC2=C(C=CC(O)=C2)O1 020526 [1,1,0,0,0,0|1,0,0]=3 82 B13R2.3683 O=C1CSC2=C(C=CC(Br)=C2)N1 25-011 [1,1,0,0,0,0|1,0,1]=4 83 B13R2.3683 O=C1CSC2=C(C=CC(Cl)=C2)N1 25-014 [1,1,0,0,0,0|1,0,1]=4 84 B13R2.3683 OC1=CC=C2C=C(Br)C=CC2=C1 B-004 [1,1,0,0,0,0|1,0,0]=3 85 B13R2.3683 OC1=NC=C2C=C(Br)C=CC2=C1 08-5882 [1,1,0,0,0,0|2,0,0]=4 86 B13R2.5179 NC1=C2N=CC(Br)=CC2=CC=C1 08-5925 [1,1,0,0,0,0|1,0,1]=4 87 B13R2.3028 CN1C(=O)NC2=C1C=C(Br)C=C2 08-10370 [0,1,0,0,1,0|2,0,0]=4 88 B13R2.3028 O=C1NC2=C(C=C(F)C=C2)C1=O 09-3507 [0,1,0,0,1,0|0,0,1]=3 89 B13R2.3085 O=C1C2=C(C=CC=C2)C(=O)N1O 04-1818 [0,1,0,0,1,0|1,0,0]=3 90 B13R2.4825 O=C1NC2=C(F)C=CC=C2C1=O 21-503 [0,1,0,0,1,0|0,0,1]=3 91 B15R2.274 CC1=C(C#N)C(=O)OC2=C1C=CC=C2 17-090 [0,2,0,0,0,0|2,0,0]=4 92 B15R2.984 CC(=O)C1=CC2=C(C=CC=C2)OC1=O A-103 [0,2,0,0,0,0|1,0,1]=4 93 B15R2.984 CC(=O)C1=CC2=C(C=CN=C2)NC1=O 08-10511 [0,2,0,0,0,0|1,0,1]=4 94 B15R2.1754 N#CC1=CC2=C(C=C(O)C=C2)OC1=O 19-053 [0,2,0,0,0,0|2,0,0]=4 95 B15R2.1007 CC1=CC2=C(C=C1)OC(=O)C(C)=C2O 19-543 [0,2,0,0,0,0|2,0,0]=4 96 B15R2.63893 CC1=C(Cl)C(=O)OC2=C1C=CC(O)=C2 23-004 [0,2,0,0,0,0|2,0,0]=4 97 B13R2.435 O=C(O)C1=CC2=C(C=CC=N2)O1 08-9710 [0,0,1,1,0,0|2,0,0]=4 98 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 04-2313 [0,0,1,0,1,0|1,0,1]=4 99 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 04-1815 [0,0,1,0,1,0|1,0,1]=4 100 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 04-1816 [0,0,1,0,1,0|1,0,1]=4 101 B11R2.1 BrC1=CNC2=C1C=CC=N2 08-1634 [1,0,0,0,1,0|2,0,0]=4 102 B11R2.1 BrC1=CNC2=C1C=CN=C2 08-1606 [1,0,0,0,1,0|2,0,0]=4 103 B11R2.1 BrC1=CNC2=C1C=NC=C2 08-1633 [1,0,0,0,1,0|2,0,0]=4 104 B11R2.1 BrC1=CNC2=CC=CN=C12 08-1632 [1,0,0,0,1,0|2,0,0]=4 105 B11R2.1 BrC1=NNC2=C1C=CC=C2 08-4202 [1,0,0,0,1,0|2,0,0]=4 106 B11R2.1 CC1=CNC2=C1C=CC=C2 020653 [1,0,0,0,1,0|1,0,0]=3 107 B11R2.1 CC1=CNC2=CC=CN=C12 08-9188 [1,0,0,0,1,0|2,0,0]=4 108 B11R2.1 CC1=CNC2=NC=CC=C12 08-9191 [1,0,0,0,1,0|2,0,0]=4 109 B11R2.1 ClC1=CNC2=C1C=CC=N2 08-6896 [1,0,0,0,1,0|2,0,0]=4 110 B11R2.1 IC1=CNC2=C1C=CN=C2 08-2269 [1,0,0,0,1,0|2,0,0]=4 111 B11R2.1 NC1=CNC2=C1C=CN=C2 08-1511 [1,0,0,0,1,0|2,0,0]=4 112 B11R2.1 NC1=CNC2=NC=CC=C12 08-1388 [1,0,0,0,1,0|2,0,0]=4 113 B11R2.1 O=C1N=NC2=C1C=CC=C2 CS-618 [1,0,0,0,1,0|2,0,0]=4 114 B11R2.10 CC1=CC2=CC=CN=C2N1 08-5436 [1,0,0,0,1,0|2,0,0]=4 115 B11R2.10 IC1=CC2=C(N=CC=C2)N1 08-7512 [1,0,0,0,1,0|2,0,0]=4 116 B11R2.10 O=C1CC2=C(C=CC=C2)N1 01-1256 [1,0,0,0,1,0|0,0,1]=3 117 B11R2.10 O=C1CC2=C(C=CC=N2)N1 08-3313 [1,0,0,0,1,0|1,0,1]=4 118 B11R2.10 O=C1CC2=C(C=CC=N2)N1 08-5099 [1,0,0,0,1,0|1,0,1]=4 119 B11R2.10 O=C1CC2=C(C=CN=C2)N1 08-5086 [1,0,0,0,1,0|1,0,1]=4 120 B11R2.10 O=C1CC2=C(C=NC=C2)N1 08-5100 [1,0,0,0,1,0|1,0,1]=4 121 B11R2.10 O=C1CC2=C(N=CC=C2)N1 08-5085 [1,0,0,0,1,0|1,0,1]=4 122 B11R2.36 OC1=CC2=C(C=C1)NC=C2 08-1151 [1,0,0,0,1,0|2,0,0]=4 123 B11R2.36 OC1=CC2=C(C=CN2)C=C1 08-1152 [1,0,0,0,1,0|2,0,0]=4