0 B11R1.19 CC(C)(Br)C1=CC=C(Br)C=C1 AC9251 [0,0,0,0,0,0|2,0,0]=2 1 B11R1.19 CC(C)(C)C1=CN=C(Cl)N=C1 D76677 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.19 CC(C)(F)C1=CC=C(N)C=C1 AT21859 [0,0,0,0,0,0|2,0,0]=2 3 B11R1.19 CC(C)(F)C1=CC=C(O)C=C1 AC6205 [0,0,0,0,0,0|1,0,0]=1 4 B11R1.19 CC(C)(O)C1=NC=C(N)N=C1 AT20018 [0,0,0,0,0,0|4,0,0]=4 5 B11R1.19 CP(C)(=O)C1=CC=C(Br)C=C1 D73584 [0,0,0,0,0,0|3,0,0]=3 6 B11R1.19 C[S@](=N)(=O)C1=CC=C(N)C=C1 AT25737 [0,0,0,0,0,0|4,0,0]=4 7 B11R1.19 [2H]C([2H])([2H])C1=CC=C(N)C=C1 D98170 [0,0,0,0,0,0|4,0,0]=4 8 B11R1.19 [2H]C([2H])([2H])C1=CC=C(O)C=C1 D99239 [0,0,0,0,0,0|3,0,0]=3 9 B11R1.19 [2H]C1=CC=C(S(C)(=O)=O)C=C1 AC5556 [0,0,0,0,0,0|4,0,0]=4 10 B10R1.13 CC(C)C1=CN=C(N)N=C1 FD7250 [1,0,0,0,0,0|3,0,0]=4 11 B10R1.13 CC1=CN=C([C@H](C)N)C=C1 C91123 [1,0,0,0,0,0|3,0,0]=4 12 B10R1.13 CC1=CN=C([C@H](C)N)C=C1 C92102 [1,0,0,0,0,0|3,0,0]=4 13 B10R1.13 CC1=NC=C([C@H](C)N)C=C1 D96383 [1,0,0,0,0,0|3,0,0]=4 14 B10R1.13 C[C@H](N)C1=CN=C(Cl)C=C1 90823 [1,0,0,0,0,0|3,0,0]=4 15 B10R1.13 C[C@H](N)C1=CN=C(Cl)C=C1 90824 [1,0,0,0,0,0|3,0,0]=4 16 B10R1.13 C[C@H](N)C1=CN=C(Cl)C=C1 D96354 [1,0,0,0,0,0|3,0,0]=4 17 B10R1.13 C[C@H](N)C1=CN=C(F)C=C1 AC7189 [1,0,0,0,0,0|3,0,0]=4 18 B10R1.13 C[C@H](O)C1=NC=C(F)C=C1 AT10692 [1,0,0,0,0,0|3,0,0]=4 19 B10R1.13 C[C@H](O)C1=NC=C(F)C=C1 AT10693 [1,0,0,0,0,0|3,0,0]=4 20 B10R1.13 C[C@H](O)C1=NC=C(O)C=N1 72720 [1,0,0,0,0,0|3,0,0]=4 21 B10R1.13 C[S@](=O)C1=CC=C(Br)C=C1 F50249 [1,0,0,0,0,0|3,0,0]=4 22 B10R1.13 C[S@](=O)C1=CC=C(Br)C=C1 F50317 [1,0,0,0,0,0|3,0,0]=4 23 B10R1.13 OC1=CC=C(C(F)F)C=C1 78024 [1,0,0,0,0,0|2,0,0]=3 24 B10R1.28 [2H]C([2H])(N)C1=CC=CC=C1 D99382 [1,0,0,0,0,0|3,0,0]=4 25 B12R1.6 CC(F)(F)C1=CC=C(C=O)C=C1 F30564 [0,1,0,0,0,0|2,0,1]=4 26 B12R1.6 [2H]C([2H])(O)C1=CC=C(OC)C=C1 D98788 [0,1,0,0,0,0|3,0,0]=4 27 B12R1.9 CC(C)(C#N)C1=CN=C(Cl)C=C1 D85747 [0,1,0,0,0,0|2,0,1]=4 28 B12R1.23 CC(C)(C)C1=NNC(=O)C(Br)=C1 F51994 [0,1,0,0,0,0|2,0,1]=4 29 B12R1.23 CC1=C(F)C=C(C(C)(C)N)C=C1 AT22342 [0,1,0,0,0,0|2,0,0]=3 30 B12R1.23 CC1=C(F)C=CC(C(C)(C)N)=C1 AT22340 [0,1,0,0,0,0|2,0,0]=3 31 B12R1.23 CC1=C(N)C=CC(P(C)(C)=O)=C1 AT21927 [0,1,0,0,0,0|3,0,0]=4 32 B12R1.23 CP(C)(=O)C1=CC(F)=C(N)C=C1 AT21933 [0,1,0,0,0,0|3,0,0]=4 33 B12R1.126 CC(C)(O)C1=C(Br)C=C(F)C=C1 AT23560 [0,1,0,0,0,0|2,0,0]=3 34 B12R2.290 NC1(C2=CC=C(I)C=C2)CC1 AC6503 [0,0,0,1,0,0|2,0,0]=3 35 B12R2.290 NC1=CC=C(C2(N)CC2)C=C1 AC2727 [0,0,0,1,0,0|2,0,0]=3 36 B10R1.55 CC(C)(C)C1=CC(Br)=NO1 AC9092 [0,0,0,0,1,0|3,0,0]=4 37 B10R1.55 CC(C)(C)C1=CN=C(Br)O1 AT11070 [0,0,0,0,1,0|3,0,0]=4 38 B10R1.55 CC(C)(C)C1=NOC(Br)=C1 AT19751 [0,0,0,0,1,0|3,0,0]=4 39 B12R1.106 CC(C)(C)OC1=CN=C(Br)C=C1 D88146 [0,0,0,0,0,1|2,0,0]=3 40 B12R1.106 CS(C)(=O)=NC1=CC=C(Br)C=C1 AT18486 [0,0,0,0,0,1|3,0,0]=4 41 B12R1.106 CS(C)(=O)=NC1=CC=C(N)C=C1 AT18477 [0,0,0,0,0,1|3,0,0]=4 42 B9R1.1 CCC1=NC=C(O)C=C1 D76529 [2,0,0,0,0,0|1,0,0]=3 43 B9R1.6 C[P@H](=O)C1=CC=CC=C1 O11981 [2,0,0,0,0,0|2,0,0]=4 44 B11R1.3 COC1=CN=C([C@H](C)N)C=C1 N14204 [1,1,0,0,0,0|2,0,0]=4 45 B11R1.3 C[C@H](O)C1=CC=C(C=O)C=C1 D74867 [1,1,0,0,0,0|1,0,1]=4 46 B11R1.21 CC1=CC(C(C)C)=CN=C1N AT11127 [1,1,0,0,0,0|2,0,0]=4 47 B11R1.21 CC1=CC(C(C)C)=NC=C1N AT11119 [1,1,0,0,0,0|2,0,0]=4 48 B11R1.21 C[C@H](N)C1=CC(F)=C(Br)C=C1 AT24134 [1,1,0,0,0,0|2,0,0]=4 49 B11R1.21 C[C@H](N)C1=CC(F)=C(Br)C=C1 AT24137 [1,1,0,0,0,0|2,0,0]=4 50 B11R1.21 C[C@H](N)C1=CC(F)=C(Br)C=C1 D76436 [1,1,0,0,0,0|2,0,0]=4 51 B11R1.22 OC[C@H](O)C1=CC=C(Br)C=C1 AT17335 [1,1,0,0,0,0|2,0,0]=4 52 B11R1.22 OC[C@H](O)C1=CC=C(Br)C=C1 AT17408 [1,1,0,0,0,0|2,0,0]=4 53 B11R1.166 CC(C)C1=C(F)C=C(N)C=C1 AT16598 [1,1,0,0,0,0|1,0,0]=3 54 B11R1.166 CC(C)C1=C(N)N=C(Br)C=C1 AT12665 [1,1,0,0,0,0|2,0,0]=4 55 B11R1.166 CC1=CC(Br)=C([C@H](C)N)C=C1 C92023 [1,1,0,0,0,0|2,0,0]=4 56 B11R1.166 CC1=CC(Br)=C([C@H](C)N)C=C1 C92046 [1,1,0,0,0,0|2,0,0]=4 57 B11R1.166 CC1=CC(Cl)=C([C@H](C)Br)C=C1 AT15344 [1,1,0,0,0,0|2,0,0]=4 58 B11R1.166 CC1=CC(Cl)=C([C@H](C)N)C=C1 D96376 [1,1,0,0,0,0|2,0,0]=4 59 B11R1.166 C[C@H](N)C1=C(Br)C=C(Cl)C=C1 C91974 [1,1,0,0,0,0|2,0,0]=4 60 B11R1.166 C[C@H](N)C1=C(Br)C=C(Cl)C=C1 C91977 [1,1,0,0,0,0|2,0,0]=4 61 B11R1.166 C[C@H](N)C1=C(Br)C=C(F)C=C1 C92027 [1,1,0,0,0,0|2,0,0]=4 62 B11R1.166 C[C@H](N)C1=C(Br)C=C(F)C=C1 C92048 [1,1,0,0,0,0|2,0,0]=4 63 B11R1.166 C[C@H](N)C1=C(Cl)C=C(Br)C=C1 D96375 [1,1,0,0,0,0|2,0,0]=4 64 B11R1.166 [2H]C1=C(N(C)C)C=CC(Cl)=C1 AC5651 [1,1,0,0,0,0|2,0,0]=4 65 B11R1.166 [2H]C1=C(N(C)C)C=CC(F)=C1 AC5650 [1,1,0,0,0,0|2,0,0]=4 66 B11R1.87 CC(C)(C)C1=C(Br)C=CC=N1 AT10672 [1,1,0,0,0,0|1,0,0]=3 67 B11R1.87 CC(C)(C)C1=C(Cl)C=CC=N1 68805 [1,1,0,0,0,0|1,0,0]=3 68 B11R1.87 CC(C)(C)C1=NC=CN=C1N AT11137 [1,1,0,0,0,0|2,0,0]=4 69 B11R1.87 CC(C)(N)C1=C(N)C=CC=C1 D86445 [1,1,0,0,0,0|1,0,0]=3 70 B11R1.87 CC(C)(O)C1=NC=CC=C1N AT11529 [1,1,0,0,0,0|2,0,0]=4 71 B11R1.87 CP(C)(=O)C1=C(I)C=CC=C1 AT11111 [1,1,0,0,0,0|2,0,0]=4 72 B11R1.87 C[Si](C)(C)C1=C(F)C=NC=C1 AT11641 [1,1,0,0,0,0|1,1,0]=4 73 B11R1.155 CC(C)(C)C1=CC(N)=NC=N1 CS1086 [1,1,0,0,0,0|2,0,0]=4 74 B11R1.155 CC(C)(C)C1=CN=CC(N)=C1 F51180 [1,1,0,0,0,0|1,0,0]=3 75 B11R1.155 CC(C)(N)C1=CC(F)=CN=C1 AT26869 [1,1,0,0,0,0|2,0,0]=4 76 B11R1.155 CC(C)(O)C1=CC(F)=CN=C1 AT26870 [1,1,0,0,0,0|2,0,0]=4 77 B11R1.45 CC(C)(C)C1=CC=C(CCl)O1 AT17454 [0,1,0,0,1,0|2,0,0]=4 78 B11R1.45 CC(C)(C)C1=CC=C(CO)O1 AT17231 [0,1,0,0,1,0|1,0,0]=3 79 B11R1.45 CC(C)(C)C1=COC(CO)=N1 AT18610 [0,1,0,0,1,0|2,0,0]=4 80 B11R1.45 CC(C)(C)C1=NC=C(CO)S1 AT18884 [0,1,0,0,1,0|2,0,0]=4 81 B13R1.525 CC(C)(O)[C@H](N)C1=CC=C(F)C=C1 E71785 [0,1,0,0,0,1|2,0,0]=4 82 B13R1.140 C#CCC1=CC=C(C(C)(C)C)C=C1 D75647 [0,2,0,0,0,0|1,0,0]=3 83 B13R1.338 CC(C)(C)C1=CN=C(C(=O)Cl)C=C1 AC5401 [0,2,0,0,0,0|1,0,1]=4 84 B13R1.338 CC(C)C1=CC=C(C(C)(C)O)C=C1 D87817 [0,2,0,0,0,0|2,0,0]=4 85 B13R1.338 CP(C)(=O)C1=CC=C(C(=O)O)C=C1 AT24970 [0,2,0,0,0,0|2,0,0]=4 86 B13R1.877 CC(C)(C)C1=CC(F)=C(N)C=C1O C91648 [0,2,0,0,0,0|1,0,0]=3 87 B11R2.34 FC1=CC=C(C2CC2)C=C1 AC9033 [1,0,0,1,0,0|1,0,0]=3 88 B11R2.34 FC1=CN=C(C2CC2)C=C1 AC8048 [1,0,0,1,0,0|2,0,0]=4 89 B11R2.34 OC1=CN=C(C2CC2)C=C1 D76530 [1,0,0,1,0,0|1,0,0]=3 90 B11R2.40 NC1(C2=CC=NC=C2)CC1 AC2827 [1,0,0,1,0,0|2,0,0]=4 91 B11R2.40 OC1(C2=CC=CC=C2)CC1 D72927 [1,0,0,1,0,0|1,0,0]=3 92 B11R2.40 OC1(C2=NC=CC=C2)CC1 AC9082 [1,0,0,1,0,0|2,0,0]=4 93 B13R2.102 BrCC1(C2=CC=C(Br)C=C2)CC1 AC9298 [0,1,0,1,0,0|1,0,0]=3 94 B13R2.102 NCC1(C2=CC=C(I)C=C2)CC1 AC6502 [0,1,0,1,0,0|1,0,0]=3 95 B13R2.102 NCC1(C2=CC=C(N)C=C2)CC1 AC4004 [0,1,0,1,0,0|1,0,0]=3 96 B13R2.2986 CC1(C2=CC=C(Br)C=C2)CNC1 AT12571 [0,1,0,1,0,0|1,0,0]=3 97 B13R2.2986 CC1(C2=CC=C(F)C=C2)CNC1 AT19995 [0,1,0,1,0,0|1,0,0]=3 98 B13R2.2986 CC1(C2=CC=C(N)C=C2)CNC1 AT20029 [0,1,0,1,0,0|1,0,0]=3 99 B13R2.2986 CC1=CC=C(C2(N)CCC2)C=C1 69084 [0,1,0,1,0,0|2,0,0]=4 100 B13R2.2986 CC1=CC=C(C2(N)CCC2)C=C1 AC2904 [0,1,0,1,0,0|2,0,0]=4 101 B13R2.2986 NC1(C2=CC=C(Br)C=C2)COC1 CS2073 [0,1,0,1,0,0|2,0,0]=4 102 B13R2.2986 NC1(C2=CC=C(I)C=C2)CCC1 AC3599 [0,1,0,1,0,0|2,0,0]=4 103 B13R2.2986 NC1=CC=C(C2(N)CCC2)C=C1 AC3598 [0,1,0,1,0,0|2,0,0]=4 104 B13R2.2987 NC1CC1(F)C2=CC=C(F)C=C2 AT23668 [0,1,0,1,0,0|2,0,0]=4 105 B13R2.3108 CC1(C)NCC2=C1C=CC(Br)=C2 P17889 [0,1,0,1,0,0|1,0,0]=3 106 B13R2.3108 CC1(C)OCC2=C1C=CC(N)=C2 D76399 [0,1,0,1,0,0|1,0,0]=3 107 B13R2.1057 NC1(C2=CC(Cl)=C(F)C=C2)CC1 AC7269 [0,1,0,1,0,0|2,0,0]=4 108 B13R2.1057 NC1(C2=CC(F)=C(Br)C=C2)CC1 AC3520 [0,1,0,1,0,0|2,0,0]=4 109 B13R2.1057 NC1(C2=CC(F)=C(Cl)C=C2)CC1 AC3495 [0,1,0,1,0,0|2,0,0]=4 110 B13R2.3125 NC1(C2=C(Br)C=C(Cl)C=C2)CC1 83676 [0,1,0,1,0,0|2,0,0]=4 111 B13R2.3125 NC1(C2=C(Br)C=C(F)C=C2)CC1 83677 [0,1,0,1,0,0|2,0,0]=4 112 B13R2.3125 NC1(C2=C(Cl)C=C(F)C=C2)CC1 AC7270 [0,1,0,1,0,0|2,0,0]=4 113 B13R2.3125 NC1(C2=C(F)C=C(F)C=C2)CC1 AC6201 [0,1,0,1,0,0|2,0,0]=4 114 B11R1.20 CC(C)OC1=NC=C(O)C=N1 86756 [1,0,0,0,0,1|2,0,0]=4 115 B11R1.20 C[C@H](N)CC1=CC=C(I)C=C1 A10374 [1,0,0,0,0,1|2,0,0]=4