0 B11R1.3 COC1=CN=C([C@H](C)N)C=C1 N14204 [0,0,0,0,0,0|4,0,0]=4 1 B11R1.3 C[C@H](N)C1=CN=C(C#N)C=C1 P19331 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.3 C[C@H](O)C1=CC=C(C=O)C=C1 D74867 [0,0,0,0,0,0|1,0,0]=1 3 B11R1.3 O=CC1=CN=C(B(O)O)C=C1 D75526 [0,0,0,0,0,0|4,0,0]=4 4 B11R1.3 O=CC1=CN=C(C(F)F)C=C1 E72882 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.3 CCC1=NC=C(C=O)C=C1 53643 [1,0,0,0,0,0|1,0,0]=2 6 B10R1.3 CNC1=CC=C(NC)C=C1 AT11002 [1,0,0,0,0,0|3,0,0]=4 7 B10R1.13 CC(C)C1=CN=C(N)N=C1 FD7250 [1,0,0,0,0,0|3,0,0]=4 8 B10R1.13 CC1=CN=C([C@H](C)N)C=C1 C91123 [1,0,0,0,0,0|2,0,1]=4 9 B10R1.13 CC1=CN=C([C@H](C)N)C=C1 C92102 [1,0,0,0,0,0|2,0,1]=4 10 B10R1.13 CC1=NC=C([C@H](C)N)C=C1 D96383 [1,0,0,0,0,0|2,0,1]=4 11 B10R1.13 C[C@H](N)C1=CN=C(Cl)C=C1 90823 [1,0,0,0,0,0|3,0,0]=4 12 B10R1.13 C[C@H](N)C1=CN=C(Cl)C=C1 90824 [1,0,0,0,0,0|3,0,0]=4 13 B10R1.13 C[C@H](N)C1=CN=C(Cl)C=C1 D96354 [1,0,0,0,0,0|3,0,0]=4 14 B10R1.13 C[C@H](N)C1=CN=C(F)C=C1 AC7189 [1,0,0,0,0,0|3,0,0]=4 15 B10R1.13 C[C@H](O)C1=NC=C(F)C=C1 AT10692 [1,0,0,0,0,0|3,0,0]=4 16 B10R1.13 C[C@H](O)C1=NC=C(F)C=C1 AT10693 [1,0,0,0,0,0|3,0,0]=4 17 B10R1.13 C[S@](=O)C1=CC=C(Br)C=C1 F50249 [1,0,0,0,0,0|3,0,0]=4 18 B10R1.13 C[S@](=O)C1=CC=C(Br)C=C1 F50317 [1,0,0,0,0,0|3,0,0]=4 19 B10R1.13 OC1=CC=C(C(F)F)C=C1 78024 [1,0,0,0,0,0|2,0,1]=4 20 B12R1.6 CC(F)(F)C1=CC=C(C=O)C=C1 F30564 [0,1,0,0,0,0|1,0,0]=2 21 B12R1.48 C[C@H](N)C1=CC(F)=C(C#N)C=C1 AT24132 [0,1,0,0,0,0|2,0,1]=4 22 B12R1.48 C[C@H](N)C1=CC(F)=C(C#N)C=C1 AT24133 [0,1,0,0,0,0|2,0,1]=4 23 B12R1.48 O=CC1=C(Cl)C=C(C(F)F)C=N1 97702 [0,1,0,0,0,0|3,0,0]=4 24 B12R1.48 O=CC1=C(F)C=C(C(F)F)C=C1 AT19259 [0,1,0,0,0,0|2,0,0]=3 25 B12R1.256 CC(=O)C1=CN=C(C(F)F)C=C1 E73013 [0,1,0,0,0,0|3,0,0]=4 26 B12R1.256 CC(C)C1=CN=C(C(=O)O)C=N1 D76743 [0,1,0,0,0,0|2,0,0]=3 27 B12R1.256 C[C@H](N)C1=CC=C(N(C)C)C=C1 Y11595 [0,1,0,0,0,0|2,0,1]=4 28 B12R1.452 COC1=CC(Br)=C([C@H](C)N)C=C1 C92025 [0,1,0,0,0,0|3,0,0]=4 29 B12R1.452 COC1=CC(Br)=C([C@H](C)N)C=C1 C92056 [0,1,0,0,0,0|3,0,0]=4 30 B12R1.452 COC1=CC(Cl)=C([C@H](C)N)C=C1 E72732 [0,1,0,0,0,0|3,0,0]=4 31 B12R1.452 O=CC1=CC(O)=C(C(=O)O)C=C1 O11231 [0,1,0,0,0,0|2,0,1]=4 32 B12R2.9 CNC1=CC=C(C2CC2)C=C1 AC8470 [0,0,0,1,0,0|2,0,0]=3 33 B12R2.9 NCC1=CN=C(C2CC2)C=C1 AC3427 [0,0,0,1,0,0|2,0,1]=4 34 B12R2.9 O=CC1=CN=C(C2CC2)C=C1 AT22120 [0,0,0,1,0,0|1,0,0]=2 35 B12R2.9 O=CC1=NC=C(C2CC2)C=C1 AT22126 [0,0,0,1,0,0|1,0,0]=2 36 B12R2.9 OCC1=CN=C(C2CC2)C=C1 AT22118 [0,0,0,1,0,0|1,0,2]=4 37 B12R2.9 OCC1=NC=C(C2CC2)C=C1 AT22125 [0,0,0,1,0,0|1,0,2]=4 38 B9R1.1 CCC1=NC=C(O)C=C1 D76529 [2,0,0,0,0,0|1,0,1]=4 39 B9R1.6 C[P@H](=O)C1=CC=CC=C1 O11981 [2,0,0,0,0,0|2,0,0]=4 40 B11R1.83 CCCC1=NC=C(C=O)C=N1 F16120 [1,1,0,0,0,0|2,0,0]=4 41 B11R1.83 CCOC1=CN=C(C=O)N=C1 AT18296 [1,1,0,0,0,0|2,0,0]=4 42 B11R1.83 CNCC1=CC=C(SC)C=C1 D76957 [1,1,0,0,0,0|2,0,0]=4 43 B11R1.83 N#CC1=CC=C(CC=O)C=C1 O11066 [1,1,0,0,0,0|1,0,1]=4 44 B11R1.83 NCCC1=CC=C(CO)C=C1 20461 [1,1,0,0,0,0|0,0,2]=4 45 B11R1.83 O=CC1=CC=C(CCBr)C=C1 AC8890 [1,1,0,0,0,0|0,0,0]=2 46 B11R1.279 COC1=CC(F)=C(C=O)C=N1 97686 [1,1,0,0,0,0|2,0,0]=4 47 B11R1.19 CC(C)(Br)C1=CC=C(Br)C=C1 AC9251 [1,1,0,0,0,0|1,0,0]=3 48 B11R1.19 CC(C)(F)C1=CC=C(N)C=C1 AT21859 [1,1,0,0,0,0|1,0,0]=3 49 B11R1.19 CC(C)(F)C1=CC=C(O)C=C1 AC6205 [1,1,0,0,0,0|0,0,1]=3 50 B11R1.19 CP(C)(=O)C1=CC=C(Br)C=C1 D73584 [1,1,0,0,0,0|2,0,0]=4 51 B11R1.21 CC1=CC(C(C)C)=CN=C1N AT11127 [1,1,0,0,0,0|2,0,0]=4 52 B11R1.21 CC1=CC(C(C)C)=NC=C1N AT11119 [1,1,0,0,0,0|2,0,0]=4 53 B11R1.21 C[C@H](N)C1=CC(F)=C(Br)C=C1 AT24134 [1,1,0,0,0,0|2,0,0]=4 54 B11R1.21 C[C@H](N)C1=CC(F)=C(Br)C=C1 AT24137 [1,1,0,0,0,0|2,0,0]=4 55 B11R1.21 C[C@H](N)C1=CC(F)=C(Br)C=C1 D76436 [1,1,0,0,0,0|2,0,0]=4 56 B11R1.22 OC[C@H](O)C1=CC=C(Br)C=C1 AT17335 [1,1,0,0,0,0|2,0,0]=4 57 B11R1.22 OC[C@H](O)C1=CC=C(Br)C=C1 AT17408 [1,1,0,0,0,0|2,0,0]=4 58 B11R1.166 CC(C)C1=C(F)C=C(N)C=C1 AT16598 [1,1,0,0,0,0|1,0,0]=3 59 B11R1.166 CC(C)C1=C(N)N=C(Br)C=C1 AT12665 [1,1,0,0,0,0|2,0,0]=4 60 B11R1.166 CC1=CC(Br)=C([C@H](C)N)C=C1 C92023 [1,1,0,0,0,0|1,0,1]=4 61 B11R1.166 CC1=CC(Br)=C([C@H](C)N)C=C1 C92046 [1,1,0,0,0,0|1,0,1]=4 62 B11R1.166 CC1=CC(Cl)=C([C@H](C)Br)C=C1 AT15344 [1,1,0,0,0,0|1,0,1]=4 63 B11R1.166 CC1=CC(Cl)=C([C@H](C)N)C=C1 D96376 [1,1,0,0,0,0|1,0,1]=4 64 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 65 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 66 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 67 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 68 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 69 B11R1.166 [2H]C1=C(N(C)C)C=CC(Cl)=C1 AC5651 [1,1,0,0,0,0|2,0,0]=4 70 B11R1.166 [2H]C1=C(N(C)C)C=CC(F)=C1 AC5650 [1,1,0,0,0,0|2,0,0]=4 71 B11R1.175 CC(C)C1=CN=C(C(=O)O)N1 96274 [0,1,0,0,1,0|2,0,0]=4 72 B11R1.175 CC(C)C1=COC(C(=O)O)=N1 F13719 [0,1,0,0,1,0|2,0,0]=4 73 B13R1.4 CS(=O)(=O)CC1=CC=C(C=O)C=C1 C72969 [0,1,0,0,0,1|2,0,0]=4 74 B13R1.36 C=CC1=CC=C([C@@H](N)[C@H](C)O)C=C1 N16176 [0,1,0,0,0,1|2,0,0]=4 75 B13R1.142 CC(C)CC1=CC=C(CCO)C=C1 F19319 [0,1,0,0,0,1|0,0,2]=4 76 B13R1.585 CC(=O)C1=CC=C(CN(C)C)C=C1 D86034 [0,1,0,0,0,1|1,0,0]=3 77 B13R1.38 NC1=C(C=O)C=CC(C(F)(F)F)=C1 F15871 [0,2,0,0,0,0|2,0,0]=4 78 B13R1.96 O=CC1=CC(I)=C(C(F)(F)F)C=C1 D78798 [0,2,0,0,0,0|2,0,0]=4 79 B13R1.140 C#CCC1=CC=C(C(C)(C)C)C=C1 D75647 [0,2,0,0,0,0|1,0,1]=4 80 B13R1.338 CC(C)(C)C1=CN=C(C(=O)Cl)C=C1 AC5401 [0,2,0,0,0,0|1,0,0]=3 81 B13R1.338 CC(C)C1=CC=C(C(C)(C)O)C=C1 D87817 [0,2,0,0,0,0|0,0,2]=4 82 B13R1.338 CN(C)C1=CC=C([S@@](C)(=N)=O)C=C1 AT25747 [0,2,0,0,0,0|2,0,0]=4 83 B13R1.338 CP(C)(=O)C1=CC=C(C(=O)O)C=C1 AT24970 [0,2,0,0,0,0|1,0,0]=3 84 B13R1.120 CC(=O)C1=CC(F)=C(C(=O)O)C=C1 F52498 [0,2,0,0,0,0|1,0,1]=4 85 B13R1.120 CC(C)C1=CC(N)=C(C(=O)O)C=C1 AC6797 [0,2,0,0,0,0|0,0,0]=2 86 B13R1.120 C[C@H](N)C1=CC(F)=C(C(=O)O)C=C1 AT24144 [0,2,0,0,0,0|1,0,0]=3 87 B13R1.120 C[C@H](N)C1=CC(F)=C(C(=O)O)C=C1 F16964 [0,2,0,0,0,0|1,0,0]=3 88 B13R1.120 O=C(O)C1=CC(F)=C(C(F)F)C=C1 AT12884 [0,2,0,0,0,0|2,0,0]=4 89 B13R1.3380 O=CC1=C(Cl)C=C(C(F)F)C=C1Cl 93344 [0,2,0,0,0,0|2,0,0]=4 90 B11R1.159 CC(C)C1=CC=CC(F)=C1O AT20236 [0,0,1,1,0,0|2,0,0]=4 91 B11R2.34 FC1=CC=C(C2CC2)C=C1 AC9033 [1,0,0,1,0,0|1,0,0]=3 92 B11R2.34 FC1=CN=C(C2CC2)C=C1 AC8048 [1,0,0,1,0,0|2,0,0]=4 93 B11R2.34 OC1=CN=C(C2CC2)C=C1 D76530 [1,0,0,1,0,0|1,0,1]=4 94 B11R2.21 O=CC1=CN=C(C2CC2)O1 AT18543 [0,0,0,1,1,0|2,0,0]=4 95 B13R2.2121 CC1=CC2=C(C=C(C=O)C=C2)N1 AC8723 [0,0,0,1,0,1|1,0,1]=4 96 B13R2.2121 O=CC1=CC2=C(C=C1)NC(=O)C2 AT23768 [0,0,0,1,0,1|1,0,1]=4 97 B13R2.185 C#CC1=CC=C(C2COC2)C=C1 AT17217 [0,1,0,1,0,0|1,0,1]=4 98 B13R2.185 COC1=CC=C(C2CNC2)C=C1 F53441 [0,1,0,1,0,0|2,0,0]=4 99 B13R2.185 N#CC1=CC=C([C@@H]2CCN2)C=C1 AT22964 [0,1,0,1,0,0|1,0,1]=4 100 B13R2.185 N#CC1=CC=C([C@@H]2CCN2)C=C1 AT22966 [0,1,0,1,0,0|1,0,1]=4 101 B13R2.185 N#CC1=CC=C([C@@H]2CCN2)C=C1 AT22967 [0,1,0,1,0,0|1,0,1]=4 102 B13R2.2130 CC1=COC2=C1C=CC(C=O)=C2 98468 [0,1,0,1,0,0|0,0,2]=4 103 B13R2.2130 CC1=NOC2=C1C=CC(C=O)=C2 D77028 [0,1,0,1,0,0|1,0,1]=4 104 B13R2.430 C[C@H](N)C1=CC2=C(C=C1)OC=C2 92541 [0,1,0,1,0,0|2,0,0]=4 105 B13R2.2396 N#CC1=C(Cl)C=C(C2CC2)C=C1 AC9679 [0,1,0,1,0,0|1,0,1]=4 106 B13R2.2396 N#CC1=C(F)C=C(C2CC2)C=C1 AC9676 [0,1,0,1,0,0|1,0,1]=4 107 B13R2.2396 O=CC1=C(Cl)C=C(C2CC2)C=C1 AT24948 [0,1,0,1,0,0|0,0,0]=2 108 B13R2.2170 N#CC1=CC(Cl)=C(C2CC2)C=C1 AT24048 [0,1,0,1,0,0|1,0,1]=4 109 B11R1.20 C[C@H](N)CC1=CC=C(I)C=C1 A10374 [1,0,0,0,0,1|2,0,0]=4 110 B11R1.266 CC(C)C1=CC(C#N)=NC=C1 AT26688 [0,0,0,0,1,1|1,0,1]=4