0 B11R1.3 CN(C)C1=CN=C(CN)N=C1 P10962 [0,0,0,0,0,0|4,0,0]=4 1 B11R1.3 COC1=CN=C([C@H](C)N)C=C1 N14204 [0,0,0,0,0,0|4,0,0]=4 2 B11R1.3 C[C@H](N)C1=CN=C(C#N)C=C1 P19331 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.3 C[C@H](O)C1=CC=C(C=O)C=C1 D74867 [0,0,0,0,0,0|1,0,2]=3 4 B11R1.3 O=C(O)C1=CC=C(CF)C=C1 E72963 [0,0,0,0,0,0|3,0,1]=4 5 B10R1.3 CCC1=NC=C(C=O)C=C1 53643 [1,0,0,0,0,0|1,0,2]=4 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=CC=C([C@H](C)N)N=N1 56579 [1,0,0,0,0,0|3,0,0]=4 9 B10R1.13 CC1=CC=C([C@H](C)N)N=N1 56581 [1,0,0,0,0,0|3,0,0]=4 10 B10R1.13 CC1=CN=C([C@H](C)N)C=C1 C91123 [1,0,0,0,0,0|2,0,0]=3 11 B10R1.13 CC1=CN=C([C@H](C)N)C=C1 C92102 [1,0,0,0,0,0|2,0,0]=3 12 B10R1.13 CC1=CN=C([C@H](C)N)C=N1 D96435 [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|2,0,0]=3 14 B10R1.13 CC1=NC=C([C@H](C)N)C=N1 56587 [1,0,0,0,0,0|3,0,0]=4 15 B10R1.13 CC1=NC=C([C@H](C)N)C=N1 56589 [1,0,0,0,0,0|3,0,0]=4 16 B10R1.13 C[C@H](N)C1=CN=C(Cl)C=C1 90823 [1,0,0,0,0,0|3,0,0]=4 17 B10R1.13 C[C@H](N)C1=CN=C(Cl)C=C1 90824 [1,0,0,0,0,0|3,0,0]=4 18 B10R1.13 C[C@H](N)C1=CN=C(Cl)C=C1 D96354 [1,0,0,0,0,0|3,0,0]=4 19 B10R1.13 C[C@H](N)C1=CN=C(F)C=C1 AC7189 [1,0,0,0,0,0|3,0,0]=4 20 B10R1.13 C[C@H](O)C1=NC=C(F)C=C1 AT10692 [1,0,0,0,0,0|3,0,0]=4 21 B10R1.13 C[C@H](O)C1=NC=C(F)C=C1 AT10693 [1,0,0,0,0,0|3,0,0]=4 22 B10R1.13 C[C@H](O)C1=NC=C(O)C=N1 72720 [1,0,0,0,0,0|3,0,0]=4 23 B10R1.13 C[S@](=O)C1=CC=C(Br)C=C1 F50249 [1,0,0,0,0,0|3,0,0]=4 24 B10R1.13 C[S@](=O)C1=CC=C(Br)C=C1 F50317 [1,0,0,0,0,0|3,0,0]=4 25 B10R1.13 OC1=CC=C(C(F)F)C=C1 78024 [1,0,0,0,0,0|2,0,0]=3 26 B12R1.6 CC(F)(F)C1=CC=C(C=O)C=C1 F30564 [0,1,0,0,0,0|1,0,2]=4 27 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 28 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 29 B12R1.48 OCC1=C(Cl)C=C(C(F)F)C=N1 97701 [0,1,0,0,0,0|3,0,0]=4 30 B12R1.48 OCC1=C(F)C=C(C(F)F)C=C1 AT19258 [0,1,0,0,0,0|2,0,0]=3 31 B12R1.256 CC(C)C1=CN=C(C(=O)O)C=N1 D76743 [0,1,0,0,0,0|2,0,1]=4 32 B12R1.256 C[C@H](N)C1=CC=C(N(C)C)C=C1 Y11595 [0,1,0,0,0,0|2,0,0]=3 33 B12R1.452 COC1=CC(Br)=C([C@H](C)N)C=C1 C92025 [0,1,0,0,0,0|3,0,0]=4 34 B12R1.452 COC1=CC(Br)=C([C@H](C)N)C=C1 C92056 [0,1,0,0,0,0|3,0,0]=4 35 B12R1.452 COC1=CC(Cl)=C([C@H](C)N)C=C1 E72732 [0,1,0,0,0,0|3,0,0]=4 36 B12R1.452 OCC1=CC(F)=C(C(F)F)C=C1 AT26806 [0,1,0,0,0,0|2,0,0]=3 37 B12R2.9 CNC1=CC=C(C2CC2)C=C1 AC8470 [0,0,0,1,0,0|2,0,0]=3 38 B12R2.9 NCC1=CN=C(C2CC2)C=C1 AC3427 [0,0,0,1,0,0|2,0,0]=3 39 B12R2.9 NCC1=NC=C(C2CC2)C=N1 C91947 [0,0,0,1,0,0|3,0,0]=4 40 B12R2.9 O=CC1=CN=C(C2CC2)C=C1 AT22120 [0,0,0,1,0,0|1,0,2]=4 41 B12R2.9 O=CC1=NC=C(C2CC2)C=C1 AT22126 [0,0,0,1,0,0|1,0,2]=4 42 B12R2.9 OCC1=CN=C(C2CC2)C=C1 AT22118 [0,0,0,1,0,0|1,0,0]=2 43 B12R2.9 OCC1=NC=C(C2CC2)C=C1 AT22125 [0,0,0,1,0,0|1,0,0]=2 44 B10R1.31 CC(C)C1=NC=C(CCl)S1 AT15053 [0,0,0,0,1,0|3,0,0]=4 45 B10R1.31 CC(C)N1C=NC(CN)=C1 AT24766 [0,0,0,0,1,0|3,0,0]=4 46 B12R1.4 CC(C)OC1=NC=C(CO)C=N1 AT18234 [0,0,0,0,0,1|2,0,0]=3 47 B9R1.1 CC1=CN=C(CBr)C=C1 AC9707 [2,0,0,0,0,0|2,0,0]=4 48 B9R1.1 CCC1=NC=C(O)C=C1 D76529 [2,0,0,0,0,0|1,0,0]=3 49 B9R1.1 NC1=CN=C(CO)C=C1 D77165 [2,0,0,0,0,0|2,0,0]=4 50 B9R1.6 C[P@H](=O)C1=CC=CC=C1 O11981 [2,0,0,0,0,0|2,0,0]=4 51 B11R1.83 C#CCC1=CC=C(OC)C=C1 D75643 [1,1,0,0,0,0|2,0,0]=4 52 B11R1.83 CNCC1=CC=C(SC)C=C1 D76957 [1,1,0,0,0,0|2,0,0]=4 53 B11R1.83 NCCC1=CC=C(CO)C=C1 20461 [1,1,0,0,0,0|0,0,0]=2 54 B11R1.83 O=CC1=CC=C(CCBr)C=C1 AC8890 [1,1,0,0,0,0|0,0,2]=4 55 B11R1.279 COC1=CC(Cl)=C(CN)C=C1 43820 [1,1,0,0,0,0|2,0,0]=4 56 B11R1.19 CC(C)(Br)C1=CC=C(Br)C=C1 AC9251 [1,1,0,0,0,0|1,0,0]=3 57 B11R1.19 CC(C)(F)C1=CC=C(N)C=C1 AT21859 [1,1,0,0,0,0|1,0,0]=3 58 B11R1.19 CC(C)(F)C1=CC=C(O)C=C1 AC6205 [1,1,0,0,0,0|0,0,0]=2 59 B11R1.19 CP(C)(=O)C1=CC=C(Br)C=C1 D73584 [1,1,0,0,0,0|2,0,0]=4 60 B11R1.19 [2H]C([2H])([2H])C1=CC=C(O)C=C1 D99239 [1,1,0,0,0,0|2,0,0]=4 61 B11R1.21 CC1=CC(C(C)C)=CN=C1N AT11127 [1,1,0,0,0,0|2,0,0]=4 62 B11R1.21 CC1=CC(C(C)C)=NC=C1N AT11119 [1,1,0,0,0,0|2,0,0]=4 63 B11R1.21 C[C@H](N)C1=CC(F)=C(Br)C=C1 AT24134 [1,1,0,0,0,0|2,0,0]=4 64 B11R1.21 C[C@H](N)C1=CC(F)=C(Br)C=C1 AT24137 [1,1,0,0,0,0|2,0,0]=4 65 B11R1.21 C[C@H](N)C1=CC(F)=C(Br)C=C1 D76436 [1,1,0,0,0,0|2,0,0]=4 66 B11R1.22 OC[C@H](O)C1=CC=C(Br)C=C1 AT17335 [1,1,0,0,0,0|2,0,0]=4 67 B11R1.22 OC[C@H](O)C1=CC=C(Br)C=C1 AT17408 [1,1,0,0,0,0|2,0,0]=4 68 B11R1.166 CC(C)C1=C(F)C=C(N)C=C1 AT16598 [1,1,0,0,0,0|1,0,0]=3 69 B11R1.166 CC(C)C1=C(N)N=C(Br)C=C1 AT12665 [1,1,0,0,0,0|2,0,0]=4 70 B11R1.166 CC1=CC(Br)=C([C@H](C)N)C=C1 C92023 [1,1,0,0,0,0|1,0,0]=3 71 B11R1.166 CC1=CC(Br)=C([C@H](C)N)C=C1 C92046 [1,1,0,0,0,0|1,0,0]=3 72 B11R1.166 CC1=CC(Cl)=C([C@H](C)Br)C=C1 AT15344 [1,1,0,0,0,0|1,0,0]=3 73 B11R1.166 CC1=CC(Cl)=C([C@H](C)N)C=C1 D96376 [1,1,0,0,0,0|1,0,0]=3 74 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 75 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 76 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 77 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 78 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 79 B11R1.166 [2H]C1=C(N(C)C)C=CC(Cl)=C1 AC5651 [1,1,0,0,0,0|2,0,0]=4 80 B11R1.166 [2H]C1=C(N(C)C)C=CC(F)=C1 AC5650 [1,1,0,0,0,0|2,0,0]=4 81 B11R1.45 CC(C)(C)C1=CC=C(CCl)O1 AT17454 [0,1,0,0,1,0|2,0,0]=4 82 B11R1.45 CC(C)(C)C1=CC=C(CO)O1 AT17231 [0,1,0,0,1,0|1,0,0]=3 83 B11R1.45 CC(C)(C)C1=COC(CO)=N1 AT18610 [0,1,0,0,1,0|2,0,0]=4 84 B11R1.45 CC(C)(C)C1=NC=C(CO)S1 AT18884 [0,1,0,0,1,0|2,0,0]=4 85 B13R1.36 CCC1=CC=C([C@@H](N)[C@H](C)O)C=C1 N15707 [0,1,0,0,0,1|2,0,0]=4 86 B13R1.142 CC(C)CC1=CC=C(CCO)C=C1 F19319 [0,1,0,0,0,1|0,0,0]=2 87 B13R1.95 COC(=O)C1=C(C)C=C(CO)C=C1 79095 [0,2,0,0,0,0|1,0,1]=4 88 B13R1.140 C#CCC1=CC=C(C(C)(C)C)C=C1 D75647 [0,2,0,0,0,0|1,0,0]=3 89 B13R1.338 CC(C)C1=CC=C(C(C)(C)O)C=C1 D87817 [0,2,0,0,0,0|0,0,0]=2 90 B13R1.338 CP(C)(=O)C1=CC=C(C(=O)O)C=C1 AT24970 [0,2,0,0,0,0|1,0,1]=4 91 B13R1.120 CC(C)C1=CC(N)=C(C(=O)O)C=C1 AC6797 [0,2,0,0,0,0|0,0,1]=3 92 B13R1.120 C[C@H](N)C1=C(F)C=C(C(F)F)C=C1 N14668 [0,2,0,0,0,0|2,0,0]=4 93 B13R1.120 C[C@H](N)C1=CC(F)=C(C(=O)O)C=C1 AT24144 [0,2,0,0,0,0|1,0,1]=4 94 B13R1.120 C[C@H](N)C1=CC(F)=C(C(=O)O)C=C1 F16964 [0,2,0,0,0,0|1,0,1]=4 95 B13R1.3091 C=CC1=C(CO)C=CC(C(C)=O)=C1 AC4185 [0,2,0,0,0,0|1,0,1]=4 96 B13R1.3380 OCC1=C(Cl)C=C(C(F)F)C=C1Cl 93343 [0,2,0,0,0,0|2,0,0]=4 97 B11R2.34 FC1=CC=C(C2CC2)C=C1 AC9033 [1,0,0,1,0,0|1,0,0]=3 98 B11R2.34 FC1=CN=C(C2CC2)C=C1 AC8048 [1,0,0,1,0,0|2,0,0]=4 99 B11R2.34 OC1=CN=C(C2CC2)C=C1 D76530 [1,0,0,1,0,0|1,0,0]=3 100 B13R2.185 C#CC1=CC=C(C2COC2)C=C1 AT17217 [0,1,0,1,0,0|1,0,1]=4 101 B13R2.185 COC1=CC=C(C2CNC2)C=C1 F53441 [0,1,0,1,0,0|2,0,0]=4 102 B13R2.185 N#CC1=CC=C([C@@H]2CCN2)C=C1 AT22964 [0,1,0,1,0,0|1,0,1]=4 103 B13R2.185 N#CC1=CC=C([C@@H]2CCN2)C=C1 AT22966 [0,1,0,1,0,0|1,0,1]=4 104 B13R2.185 N#CC1=CC=C([C@@H]2CCN2)C=C1 AT22967 [0,1,0,1,0,0|1,0,1]=4 105 B13R2.2130 OCC1=CC2=C(C=C1)B(O)OC2 D74056 [0,1,0,1,0,0|2,0,0]=4 106 B13R2.430 C[C@H](Cl)C1=CC2=C(C=C1)CCO2 92508 [0,1,0,1,0,0|1,0,0]=3 107 B13R2.430 C[C@H](O)C1=CC=C2CCOC2=N1 AT22075 [0,1,0,1,0,0|2,0,0]=4 108 B13R2.2396 N#CC1=C(Cl)C=C(C2CC2)C=C1 AC9679 [0,1,0,1,0,0|1,0,1]=4 109 B13R2.2396 N#CC1=C(F)C=C(C2CC2)C=C1 AC9676 [0,1,0,1,0,0|1,0,1]=4 110 B13R2.2396 O=CC1=C(Cl)C=C(C2CC2)C=C1 AT24948 [0,1,0,1,0,0|0,0,2]=4 111 B13R2.2170 N#CC1=CC(Cl)=C(C2CC2)C=C1 AT24048 [0,1,0,1,0,0|1,0,1]=4 112 B9R1.35 CC(C)C1=CN(C)C=N1 F30488 [1,0,0,0,1,0|2,0,0]=4 113 B9R1.35 CC1=CC=C([C@H](C)N)O1 D96335 [1,0,0,0,1,0|2,0,0]=4 114 B9R1.35 CC1=CC=C([C@H](C)N)O1 D96391 [1,0,0,0,1,0|2,0,0]=4 115 B9R1.35 CC1=CC=C([C@H](C)N)O1 Y12181 [1,0,0,0,1,0|2,0,0]=4 116 B11R1.20 CC(C)OC1=NC=C(O)C=N1 86756 [1,0,0,0,0,1|2,0,0]=4 117 B11R1.20 C[C@H](N)CC1=CC=C(I)C=C1 A10374 [1,0,0,0,0,1|2,0,0]=4 118 B11R1.266 CC(C)C1=CC(C#N)=NC=C1 AT26688 [0,0,0,0,1,1|1,0,1]=4