0 B11R1.22 OC[C@H](O)C1=CC=C(Br)C=C1 AT17335 [0,0,0,0,0,0|2,0,2]=4 1 B11R1.22 OC[C@H](O)C1=CC=C(Br)C=C1 AT17408 [0,0,0,0,0,0|2,0,2]=4 2 B10R1.1 C#CCC1=CC=C(Cl)C=C1 D75642 [1,0,0,0,0,0|2,0,1]=4 3 B10R1.1 O=CCC1=CN=C(Br)C=C1 AC9639 [1,0,0,0,0,0|2,0,0]=3 4 B10R1.13 CC1=CC=C([C@H](C)N)N=N1 56579 [1,0,0,0,0,0|3,0,0]=4 5 B10R1.13 CC1=CC=C([C@H](C)N)N=N1 56581 [1,0,0,0,0,0|3,0,0]=4 6 B10R1.13 CC1=CN=C([C@H](C)N)C=C1 C91123 [1,0,0,0,0,0|2,0,0]=3 7 B10R1.13 CC1=CN=C([C@H](C)N)C=C1 C92102 [1,0,0,0,0,0|2,0,0]=3 8 B10R1.13 CC1=CN=C([C@H](C)N)C=N1 D96435 [1,0,0,0,0,0|3,0,0]=4 9 B10R1.13 CC1=NC=C([C@H](C)N)C=C1 D96383 [1,0,0,0,0,0|2,0,0]=3 10 B10R1.13 CC1=NC=C([C@H](C)N)C=N1 56587 [1,0,0,0,0,0|3,0,0]=4 11 B10R1.13 CC1=NC=C([C@H](C)N)C=N1 56589 [1,0,0,0,0,0|3,0,0]=4 12 B10R1.13 C[C@H](N)C1=CN=C(Cl)C=C1 90823 [1,0,0,0,0,0|3,0,0]=4 13 B10R1.13 C[C@H](N)C1=CN=C(Cl)C=C1 90824 [1,0,0,0,0,0|3,0,0]=4 14 B10R1.13 C[C@H](N)C1=CN=C(Cl)C=C1 D96354 [1,0,0,0,0,0|3,0,0]=4 15 B10R1.13 C[C@H](N)C1=CN=C(F)C=C1 AC7189 [1,0,0,0,0,0|3,0,0]=4 16 B10R1.13 C[C@H](O)C1=NC=C(F)C=C1 AT10692 [1,0,0,0,0,0|2,0,1]=4 17 B10R1.13 C[C@H](O)C1=NC=C(F)C=C1 AT10693 [1,0,0,0,0,0|2,0,1]=4 18 B10R1.13 C[S@](=O)C1=CC=C(Br)C=C1 F50249 [1,0,0,0,0,0|2,0,0]=3 19 B10R1.13 C[S@](=O)C1=CC=C(Br)C=C1 F50317 [1,0,0,0,0,0|2,0,0]=3 20 B10R1.13 C[S@](=O)C1=CN=C(Br)C=C1 22983 [1,0,0,0,0,0|3,0,0]=4 21 B10R1.13 O=C(F)C1=CC=C(F)C=C1 AT22483 [1,0,0,0,0,0|2,0,1]=4 22 B10R1.13 OC1=CC=C(C(F)F)C=C1 78024 [1,0,0,0,0,0|3,0,0]=4 23 B10R1.15 C#C[C@@H](C)C1=CC=CC=C1 C12342 [1,0,0,0,0,0|1,0,1]=3 24 B10R1.15 CN[C@@H](C)C1=CC=NC=C1 AT18142 [1,0,0,0,0,0|3,0,0]=4 25 B10R1.15 C[C@@H](CO)C1=NC=CC=C1 AT23842 [1,0,0,0,0,0|1,0,2]=4 26 B10R1.15 C[C@H](ON)C1=CC=CC=C1 D74249 [1,0,0,0,0,0|2,0,0]=3 27 B10R1.15 NC[C@H](F)C1=CC=CC=C1 E72838 [1,0,0,0,0,0|2,0,1]=4 28 B10R1.15 N[C@@H](CF)C1=CC=CC=C1 72623 [1,0,0,0,0,0|2,0,1]=4 29 B10R1.15 N[C@@H](CF)C1=CC=CC=C1 AC4819 [1,0,0,0,0,0|2,0,1]=4 30 B10R1.15 N[C@@H](CF)C1=CC=CC=C1 W11733 [1,0,0,0,0,0|2,0,1]=4 31 B10R1.15 N[C@@H](CF)C1=CC=CC=C1 W11734 [1,0,0,0,0,0|2,0,1]=4 32 B12R1.9 CC(C)(C=O)C1=NC=C(Br)C=N1 AC8477 [0,1,0,0,0,0|3,0,0]=4 33 B12R1.20 CC1=CC=C([C@@H](C)C(=O)O)C=C1 Y11047 [0,1,0,0,0,0|0,0,0]=1 34 B12R1.20 CC1=CC=C([C@@H](F)C(=O)O)C=C1 AC9335 [0,1,0,0,0,0|1,0,0]=2 35 B12R1.20 CC1=CC=C([C@@H](N)[C@H](C)O)C=C1 N15706 [0,1,0,0,0,0|1,0,2]=4 36 B12R1.20 C[C@@H](C(=O)O)C1=CC=C(Br)C=C1 D85983 [0,1,0,0,0,0|1,0,0]=2 37 B12R1.20 C[C@@H](C(=O)O)C1=CC=C(Br)C=C1 D86053 [0,1,0,0,0,0|1,0,0]=2 38 B12R1.20 C[C@@H](C(=O)O)C1=CC=C(Br)C=C1 D87730 [0,1,0,0,0,0|1,0,0]=2 39 B12R1.20 C[C@H](C1=CC=C(Br)C=C1)C(F)F 93605 [0,1,0,0,0,0|2,0,1]=4 40 B12R1.20 NC1=CC=C([C@@H](N)C(=O)O)C=C1 N14372 [0,1,0,0,0,0|2,0,0]=3 41 B12R1.367 CC1=C(Cl)C=C(\C(C)=N\O)C=C1 D72579 [0,1,0,0,0,0|1,0,2]=4 42 B12R2.79 OC1CC1C2=CC=C(Br)C=C2 AT25165 [0,0,0,1,0,0|1,0,2]=4 43 B12R2.612 C[C@@H]1NCC2=C1C=CC(Br)=C2 C90683 [0,0,0,1,0,0|3,0,0]=4 44 B12R2.612 C[C@@H]1NCC2=C1C=CC(Br)=C2 F13796 [0,0,0,1,0,0|3,0,0]=4 45 B12R2.612 [2H]C1=CC2=C(C=C1)N(C)C=C2 AC4998 [0,0,0,1,0,0|3,0,0]=4 46 B12R2.2302 BrC1=CC=C([C@@H]2CCN2)C=C1 F53752 [0,0,0,1,0,0|3,0,0]=4 47 B12R2.2302 CC1=CC=C(C2CCC2)C=C1 F53454 [0,0,0,1,0,0|1,0,1]=3 48 B12R2.2302 IC1=CC=C(C2COC2)C=C1 AT17229 [0,0,0,1,0,0|1,0,2]=4 49 B12R2.2302 NC1=CC=C(C2CCC2)C=C1 D85595 [0,0,0,1,0,0|2,0,1]=4 50 B12R2.2302 NC1=CC=C([C@@H]2CCO2)C=C1 AT23927 [0,0,0,1,0,0|3,0,0]=4 51 B12R2.2302 OC1=CC=C(C2CNC2)C=C1 D75514 [0,0,0,1,0,0|2,0,1]=4 52 B12R2.2302 OC1=CC=C(C2COC2)C=C1 88186 [0,0,0,1,0,0|1,0,2]=4 53 B9R1.1 CC1=CN=C(CBr)C=C1 AC9707 [2,0,0,0,0,0|2,0,0]=4 54 B9R1.1 CCC1=NC=C(O)C=C1 D76529 [2,0,0,0,0,0|2,0,0]=4 55 B9R1.8 I\C=C/C1=CC=CC=C1 AT23642 [2,0,0,0,0,0|1,0,1]=4 56 B9R1.6 C=C(F)C1=CC=CC=C1 CS3204 [2,0,0,0,0,0|1,0,1]=4 57 B9R1.6 C[P@H](=O)C1=CC=CC=C1 O11981 [2,0,0,0,0,0|1,0,0]=3 58 B11R1.1 CC1=CC=C(OCC=O)C=C1 H11068 [1,1,0,0,0,0|0,0,0]=2 59 B11R1.20 CC1=CN=C(CC(=O)[O-])C=N1 C92933 [1,1,0,0,0,0|2,0,0]=4 60 B11R1.20 O=C(O)CC1=CN=C(F)C=C1 AT23306 [1,1,0,0,0,0|2,0,0]=4 61 B11R1.20 O=C(O)CC1=CNC(=O)C=C1 D86041 [1,1,0,0,0,0|2,0,0]=4 62 B11R1.83 C#CCC1=CC=C(OC)C=C1 D75643 [1,1,0,0,0,0|1,0,1]=4 63 B11R1.83 CNCC1=CC=C(SC)C=C1 D76957 [1,1,0,0,0,0|2,0,0]=4 64 B11R1.83 N#CC1=CC=C(CC=O)C=C1 O11066 [1,1,0,0,0,0|0,0,1]=3 65 B11R1.83 NCCC1=CC=C(CO)C=C1 20461 [1,1,0,0,0,0|1,0,1]=4 66 B11R1.3 COC1=CN=C([C@H](C)N)C=C1 N14204 [1,1,0,0,0,0|2,0,0]=4 67 B11R1.3 C[C@H](O)C1=CC=C(C=O)C=C1 D74867 [1,1,0,0,0,0|0,0,2]=4 68 B11R1.3 O=C(O)C1=CC=C(CF)C=C1 E72963 [1,1,0,0,0,0|1,0,1]=4 69 B11R1.19 CC(C)(Br)C1=CC=C(Br)C=C1 AC9251 [1,1,0,0,0,0|1,0,1]=4 70 B11R1.19 CC(C)(F)C1=CC=C(N)C=C1 AT21859 [1,1,0,0,0,0|1,0,1]=4 71 B11R1.19 CC(C)(F)C1=CC=C(O)C=C1 AC6205 [1,1,0,0,0,0|1,0,1]=4 72 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 AT11670 [1,1,0,0,0,0|2,0,0]=4 73 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 W15910 [1,1,0,0,0,0|2,0,0]=4 74 B11R1.19 CP(C)(=O)C1=CC=C(Br)C=C1 D73584 [1,1,0,0,0,0|2,0,0]=4 75 B11R1.19 C[S@](=N)(=O)C1=CC=C(N)C=C1 AT25737 [1,1,0,0,0,0|2,0,0]=4 76 B11R1.19 [2H]C1=CC=C(S(C)(=O)=O)C=C1 AC5556 [1,1,0,0,0,0|2,0,0]=4 77 B11R1.21 CC1=C(S)C=C(C(=O)O)C=C1 D74668 [1,1,0,0,0,0|1,0,1]=4 78 B11R1.21 C[C@H](N)C1=CC(F)=C(Br)C=C1 AT24134 [1,1,0,0,0,0|2,0,0]=4 79 B11R1.21 C[C@H](N)C1=CC(F)=C(Br)C=C1 AT24137 [1,1,0,0,0,0|2,0,0]=4 80 B11R1.21 C[C@H](N)C1=CC(F)=C(Br)C=C1 D76436 [1,1,0,0,0,0|2,0,0]=4 81 B11R1.21 [BH3-]C1=C(C)C=CC(C(N)=O)=C1 AC8800 [1,1,0,0,0,0|1,0,1]=4 82 B11R1.166 CC(=O)C1=C(F)C=C(N)C=C1 AT16600 [1,1,0,0,0,0|1,0,1]=4 83 B11R1.166 CC(C)C1=C(F)C=C(N)C=C1 AT16598 [1,1,0,0,0,0|1,0,1]=4 84 B11R1.166 CC1=CC(Br)=C([C@H](C)N)C=C1 C92023 [1,1,0,0,0,0|1,0,0]=3 85 B11R1.166 CC1=CC(Br)=C([C@H](C)N)C=C1 C92046 [1,1,0,0,0,0|1,0,0]=3 86 B11R1.166 CC1=CC(Cl)=C([C@H](C)Br)C=C1 AT15344 [1,1,0,0,0,0|1,0,0]=3 87 B11R1.166 CC1=CC(Cl)=C([C@H](C)N)C=C1 D96376 [1,1,0,0,0,0|1,0,0]=3 88 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 89 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 90 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 91 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 92 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 93 B11R1.12 N#C[C@@H](CO)C1=CC=CC=C1 F11744 [1,1,0,0,0,0|1,0,1]=4 94 B11R1.12 NC\C(=C\Cl)C1=CC=CC=C1 42349 [1,1,0,0,0,0|1,0,1]=4 95 B11R1.23 CN[C@@H](C)C1=CC(C)=CC=C1 E72733 [1,1,0,0,0,0|2,0,0]=4 96 B11R1.23 CN[C@@H](C)C1=CC=CC(F)=C1 E72741 [1,1,0,0,0,0|2,0,0]=4 97 B11R1.23 CN[C@@H](C)C1=CC=CC(F)=C1 E72742 [1,1,0,0,0,0|2,0,0]=4 98 B11R1.23 C[C@H](C#N)C1=CC=CC(Br)=C1 AT16528 [1,1,0,0,0,0|1,0,1]=4 99 B11R1.36 CC(C)[C@H](C)C1=CC=CC=C1 T70930 [1,1,0,0,0,0|1,0,1]=4 100 B11R1.36 C[C@@H](C(=O)O)C1=NC=CC=C1 W18289 [1,1,0,0,0,0|1,0,0]=3 101 B11R1.36 N[C@@H](C(=O)O)C1=CC=NC=C1 AT23446 [1,1,0,0,0,0|2,0,0]=4 102 B11R1.36 N[C@@H](C(=O)O)C1=CC=NC=C1 AT23447 [1,1,0,0,0,0|2,0,0]=4 103 B11R1.36 N[C@@H](C(=O)[O-])C1=CC=NC=C1 AT23529 [1,1,0,0,0,0|2,0,0]=4 104 B13R1.133 O=C(O)[C@@H](O)CC1=CC=C(I)C=C1 95698 [0,1,0,0,0,1|2,0,0]=4 105 B13R1.961 CN[C@@H](CO)C1=C(Cl)C=C(C)C=C1 Y14337 [0,2,0,0,0,0|0,0,2]=4 106 B13R1.163 CC1=CC(C)=C([C@@H](N)C(=O)O)C=C1 N11230 [0,2,0,0,0,0|1,0,0]=3 107 B13R1.163 N[C@@H](C(=O)O)C1=C(Br)C=C(F)C=C1 41025 [0,2,0,0,0,0|2,0,0]=4 108 B13R1.163 N[C@@H](C(=O)O)C1=C(Br)C=C(F)C=C1 41026 [0,2,0,0,0,0|2,0,0]=4 109 B13R1.510 N[C@@H](C(=O)O)C1=CC(Br)=C(Cl)C=C1 Y14175 [0,2,0,0,0,0|2,0,0]=4 110 B13R1.510 N[C@@H](C(=O)O)C1=CC(Br)=C(O)C=C1 N14758 [0,2,0,0,0,0|2,0,0]=4 111 B11R2.1 C[C@@H]1NCC2=C1C=CC=C2 E73009 [1,0,0,1,0,0|2,0,0]=4 112 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 P15599 [1,0,0,1,0,0|1,0,1]=4 113 B11R2.4 N[C@H]1C[C@H]1C2=CC=CC=C2 P19381 [1,0,0,1,0,0|1,0,1]=4 114 B13R2.185 COC1=CC=C(C2CNC2)C=C1 F53441 [0,1,0,1,0,0|1,0,1]=4 115 B13R2.2986 CC1=CC=C(C2(N)CCC2)C=C1 69084 [0,1,0,1,0,0|1,0,1]=4 116 B13R2.2986 CC1=CC=C(C2(N)CCC2)C=C1 AC2904 [0,1,0,1,0,0|1,0,1]=4 117 B13R2.12 CC1=CC=C([C@H]2CCNC2)C=C1 65776 [0,1,0,1,0,0|1,0,1]=4 118 B13R2.5179 CC1=CC2=C(C=C1)[C@H](C)NCC2 AT22657 [0,1,0,1,0,0|1,0,1]=4 119 B13R2.5187 C[C@@H]1NC(=O)C2=C1C=CC(F)=C2 D72991 [0,1,0,1,0,0|1,0,0]=3 120 B13R2.5190 CC1=CC2=C(C=C1)[C@H](N)C(=O)N2 W10069 [0,1,0,1,0,0|1,0,0]=3 121 B13R2.5190 CN1C(=O)NC2=C1C=CC(N)=C2 C75569 [0,1,0,1,0,0|2,0,0]=4 122 B13R2.13518 CC1=CC(C)=C(C2CNC2)C=C1 AT15447 [0,1,0,1,0,0|1,0,1]=4 123 B9R1.35 CC1=CC=C([C@H](C)N)O1 D96335 [1,0,0,0,1,0|2,0,0]=4 124 B9R1.35 CC1=CC=C([C@H](C)N)O1 D96391 [1,0,0,0,1,0|2,0,0]=4 125 B9R1.35 CC1=CC=C([C@H](C)N)O1 Y12181 [1,0,0,0,1,0|2,0,0]=4