0 B10R1.3 CCC1=NC=C(C=O)C=C1 53643 [0,0,0,0,0,0|2,0,2]=4 1 B10R1.3 CNC1=CC=C(NC)C=C1 AT11002 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.3 COC1=CN=C(CN)N=C1 P14665 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.3 COC1=NN=C(CN)C=C1 C15178 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.3 N#CC1=CN=C(CO)N=C1 D73853 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.3 N#CC1=NC=C(CO)C=N1 AC8458 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.3 [C-]#[N+]C1=CN=C(OC)C=C1 AC9404 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.1 CC1=CC=C(CN)N=N1 37065 [1,0,0,0,0,0|3,0,0]=4 8 B9R1.1 CC1=CN=C(CBr)C=C1 AC9707 [1,0,0,0,0,0|2,0,0]=3 9 B9R1.1 CC1=NC=C(CCl)C=N1 P10827 [1,0,0,0,0,0|3,0,0]=4 10 B9R1.1 CC1=NN=C(CCl)C=C1 F30432 [1,0,0,0,0,0|3,0,0]=4 11 B9R1.1 CCC1=NC=C(O)C=C1 D76529 [1,0,0,0,0,0|2,0,0]=3 12 B9R1.1 COC1=NC=C(C)N=C1 AT23462 [1,0,0,0,0,0|2,0,0]=3 13 B9R1.1 NC1=CN=C(CO)C=C1 D77165 [1,0,0,0,0,0|2,0,0]=3 14 B9R1.1 OCC1=CN=C(Br)N=C1 D76260 [1,0,0,0,0,0|3,0,0]=4 15 B11R1.3 COC1=CN=C([C@H](C)N)C=C1 N14204 [0,1,0,0,0,0|2,0,0]=3 16 B11R1.3 COC1=CN=C([C@H](C)O)N=C1 AT23879 [0,1,0,0,0,0|2,0,0]=3 17 B11R1.3 COC1=NC=C(B(O)O)N=C1 D76528 [0,1,0,0,0,0|3,0,0]=4 18 B11R1.3 C[C@H](O)C1=CC=C(C=O)C=C1 D74867 [0,1,0,0,0,0|2,0,0]=3 19 B11R1.3 O=C(O)C1=CC=C(CF)C=C1 E72963 [0,1,0,0,0,0|2,0,1]=4 20 B11R1.83 C#CCC1=CC=C(OC)C=C1 D75643 [0,1,0,0,0,0|1,0,0]=2 21 B11R1.83 CNCC1=CC=C(SC)C=C1 D76957 [0,1,0,0,0,0|1,1,0]=3 22 B11R1.83 COC1=NC=C(CCCl)C=C1 AC9638 [0,1,0,0,0,0|2,0,0]=3 23 B11R1.83 N#CC1=CC=C(CC=O)C=C1 O11066 [0,1,0,0,0,0|2,0,1]=4 24 B11R1.83 NCCC1=CC=C(CO)C=C1 20461 [0,1,0,0,0,0|1,0,0]=2 25 B11R1.83 O=CC1=CC=C(CCBr)C=C1 AC8890 [0,1,0,0,0,0|1,0,2]=4 26 B11R1.279 COC1=C(F)C=C(C#N)C=N1 AT26920 [0,1,0,0,0,0|2,0,1]=4 27 B11R1.279 COC1=C(F)C=C(CN)C=N1 AT26682 [0,1,0,0,0,0|2,0,0]=3 28 B11R1.279 COC1=CC(Cl)=C(CN)C=C1 43820 [0,1,0,0,0,0|1,0,0]=2 29 B11R1.279 COC1=CC(F)=C(C=O)C=N1 97686 [0,1,0,0,0,0|1,0,2]=4 30 B11R1.279 COC1=NC(C)=C(CN)C=C1 D96461 [0,1,0,0,0,0|2,0,0]=3 31 B11R1.279 CSC1=CC(F)=C(C#N)C=C1 AT24049 [0,1,0,0,0,0|1,1,1]=4 32 B9R1.21 COC1=NOC(CBr)=C1 AT19614 [0,0,0,0,1,0|3,0,0]=4 33 B9R1.21 COC1=NOC(CCl)=C1 AT19598 [0,0,0,0,1,0|3,0,0]=4 34 B9R1.21 COC1=NOC(CN)=C1 AT19611 [0,0,0,0,1,0|3,0,0]=4 35 B9R1.21 COC1=NOC(CN)=C1 AT21055 [0,0,0,0,1,0|3,0,0]=4 36 B9R1.21 COC1=NOC(CS)=C1 AT19597 [0,0,0,0,1,0|2,1,0]=4 37 B9R1.21 COC1=NSC(CCl)=C1 AT11781 [0,0,0,0,1,0|3,0,0]=4 38 B8R1.2 C[13CH2]C1=CC=CC=C1 D98792 [2,0,0,0,0,0|1,0,0]=3 39 B10R1.1 C#CCC1=CC=C(Cl)C=C1 D75642 [1,1,0,0,0,0|2,0,0]=4 40 B10R1.1 OCCC1=NC=C(O)C=N1 72918 [1,1,0,0,0,0|2,0,0]=4 41 B10R1.13 CC1=CN=C([C@H](C)N)C=C1 C91123 [1,1,0,0,0,0|2,0,0]=4 42 B10R1.13 CC1=CN=C([C@H](C)N)C=C1 C92102 [1,1,0,0,0,0|2,0,0]=4 43 B10R1.13 CC1=NC=C([C@H](C)N)C=C1 D96383 [1,1,0,0,0,0|2,0,0]=4 44 B10R1.13 C[C@H](O)C1=NC=C(F)C=C1 AT10692 [1,1,0,0,0,0|2,0,0]=4 45 B10R1.13 C[C@H](O)C1=NC=C(F)C=C1 AT10693 [1,1,0,0,0,0|2,0,0]=4 46 B10R1.13 C[C@H](O)C1=NC=C(O)C=N1 72720 [1,1,0,0,0,0|2,0,0]=4 47 B10R1.13 C[S@](=O)C1=CC=C(Br)C=C1 F50249 [1,1,0,0,0,0|1,1,0]=4 48 B10R1.13 C[S@](=O)C1=CC=C(Br)C=C1 F50317 [1,1,0,0,0,0|1,1,0]=4 49 B10R1.13 OC1=CC=C(C(F)F)C=C1 78024 [1,1,0,0,0,0|1,0,0]=3 50 B10R1.25 CC1=CC(Cl)=C(CO)C=N1 AT24662 [1,1,0,0,0,0|1,0,0]=3 51 B10R1.25 CC1=CC(F)=C(CN)N=C1 AT25475 [1,1,0,0,0,0|2,0,0]=4 52 B10R1.25 CC1=NC(C)=C(CCl)C=C1 93160 [1,1,0,0,0,0|2,0,0]=4 53 B10R1.25 COC1=C(Br)C=C(F)N=C1 H10310 [1,1,0,0,0,0|2,0,0]=4 54 B10R1.25 COC1=C(Br)C=C(N)N=C1 P18768 [1,1,0,0,0,0|2,0,0]=4 55 B10R1.25 COC1=C(I)C=C(C)C=N1 D74393 [1,1,0,0,0,0|1,0,0]=3 56 B10R1.25 COC1=C(N)N=C(Cl)C=C1 AT10100 [1,1,0,0,0,0|2,0,0]=4 57 B10R1.25 COC1=NC=C(C)C=C1O D74379 [1,1,0,0,0,0|1,0,0]=3 58 B10R1.25 CSC1=C(Br)C=C(N)C=C1 D87910 [1,1,0,0,0,0|1,1,0]=4 59 B10R1.25 N#CC1=C(I)C=C(O)C=C1 D76837 [1,1,0,0,0,0|1,0,1]=4 60 B10R1.25 OCC1=C(F)N=C(Br)C=C1 AT10214 [1,1,0,0,0,0|2,0,0]=4 61 B10R1.25 [BH3-]C1=CC(Cl)=C(CO)C=C1 AC7773 [1,1,0,0,0,0|1,0,0]=3 62 B10R1.176 CC1=C(Br)C=C(CN)C=C1 AC7764 [1,1,0,0,0,0|1,0,0]=3 63 B10R1.176 CC1=CN=C(CCl)C=C1C F10376 [1,1,0,0,0,0|2,0,0]=4 64 B10R1.176 CC1=CN=C(CO)C=C1N AC4836 [1,1,0,0,0,0|1,0,0]=3 65 B10R1.176 COC1=CC(Br)=C(N)C=N1 AT16300 [1,1,0,0,0,0|2,0,0]=4 66 B10R1.176 COC1=CC(I)=C(F)C=C1 79389 [1,1,0,0,0,0|1,0,0]=3 67 B10R1.176 COC1=CC(I)=C(N)C=N1 C10061 [1,1,0,0,0,0|2,0,0]=4 68 B10R1.176 COC1=CN=C(C)C(N)=C1 AT11250 [1,1,0,0,0,0|1,0,0]=3 69 B10R1.176 COC1=NC(C)=C(F)C=C1 C74931 [1,1,0,0,0,0|2,0,0]=4 70 B10R1.176 CSC1=CC(Br)=C(O)C=C1 C14584 [1,1,0,0,0,0|0,1,0]=3 71 B10R1.176 CSC1=CC(N)=C(N)C=C1 AT20962 [1,1,0,0,0,0|1,1,0]=4 72 B10R1.176 NC1=C(Br)C=NC(CO)=C1 P13384 [1,1,0,0,0,0|2,0,0]=4 73 B10R1.176 NCC1=CC(Br)=C(I)C=C1 AT26930 [1,1,0,0,0,0|2,0,0]=4 74 B10R1.176 NCC1=CC(Cl)=C(O)N=C1 79293 [1,1,0,0,0,0|2,0,0]=4 75 B10R1.176 OCC1=CC(Br)=C(F)C=N1 D73852 [1,1,0,0,0,0|2,0,0]=4 76 B10R1.176 OCC1=CC(Br)=C(I)C=C1 AT26048 [1,1,0,0,0,0|1,0,0]=3 77 B10R1.176 OCC1=CC(Cl)=C(O)C=C1 D88156 [1,1,0,0,0,0|0,0,0]=2 78 B10R1.176 OCC1=CC(O)=C(O)C=N1 F53447 [1,1,0,0,0,0|1,0,0]=3 79 B10R1.176 OCC1=CC=C(F)C(Br)=N1 54868 [1,1,0,0,0,0|2,0,0]=4 80 B10R1.176 OCC1=NC(F)=C(Br)C=C1 AT22911 [1,1,0,0,0,0|2,0,0]=4 81 B10R1.96 CCOC1=NC(CO)=CO1 AT18456 [0,1,0,0,1,0|2,0,0]=4 82 B10R1.96 COC1=NOC(CCO)=C1 AT19593 [0,1,0,0,1,0|2,0,0]=4 83 B10R1.96 COC1=NOC(CON)=C1 AT19596 [0,1,0,0,1,0|2,0,0]=4 84 B12R1.6 [2H]C([2H])(O)C1=CC=C(OC)C=C1 D98788 [0,2,0,0,0,0|0,0,0]=2 85 B12R1.48 COC1=C(Br)C=C(B(O)O)C=C1 D71888 [0,2,0,0,0,0|1,0,0]=3 86 B12R1.48 CSC1=C(F)C=C(B(O)O)C=C1 D71636 [0,2,0,0,0,0|1,1,0]=4 87 B12R1.48 OCC1=C(F)C=C(C(F)F)C=C1 AT19258 [0,2,0,0,0,0|2,0,0]=4 88 B12R1.113 CC#CC1=CC=C(C(=O)O)C=C1 C74152 [0,2,0,0,0,0|1,0,1]=4 89 B12R1.256 C[C@H](N)C1=CC=C(N(C)C)C=C1 Y11595 [0,2,0,0,0,0|2,0,0]=4 90 B12R1.452 CCC1=CC(F)=C(B(O)O)C=C1 AT23663 [0,2,0,0,0,0|2,0,0]=4 91 B12R1.452 COC1=CC(Br)=C([C@H](C)N)C=C1 C92025 [0,2,0,0,0,0|1,0,0]=3 92 B12R1.452 COC1=CC(Br)=C([C@H](C)N)C=C1 C92056 [0,2,0,0,0,0|1,0,0]=3 93 B12R1.452 COC1=CC(Cl)=C([C@H](C)N)C=C1 E72732 [0,2,0,0,0,0|1,0,0]=3 94 B12R1.452 OCC1=CC(F)=C(C(F)F)C=C1 AT26806 [0,2,0,0,0,0|2,0,0]=4 95 B12R1.4 C#CC1=CC=C(OC(F)F)C=C1 D76714 [0,2,0,0,0,0|1,0,1]=4 96 B12R1.4 CC(=O)NC1=CC=C(O[13CH3])C=C1 41458 [0,2,0,0,0,0|0,0,2]=4 97 B12R1.4 CC(C)OC1=NC=C(CO)C=N1 AT18234 [0,2,0,0,0,0|2,0,0]=4 98 B12R1.71 C#CCCC1=CC=C(OC)C=C1 D75652 [0,2,0,0,0,0|1,0,0]=3 99 B12R1.288 C\C=C\C1=CC(O)=C(OC)C=C1 A11367 [0,2,0,0,0,0|1,0,1]=4 100 B12R1.78 COC1=C(C#N)N=C(CO)C=C1 F51250 [0,2,0,0,0,0|1,0,0]=3 101 B12R1.78 COC1=CC(CBr)=C(CBr)C=C1 D87804 [0,2,0,0,0,0|1,0,0]=3 102 B12R1.78 COC1=CC(CO)=CN=C1OC H10093 [0,2,0,0,0,0|1,0,0]=3 103 B12R1.301 COC1=C(Cl)C=C(CN)C=C1Cl 43821 [0,2,0,0,0,0|1,0,0]=3 104 B12R1.301 COC1=CC(I)=C(C=O)C(I)=C1 AT18558 [0,2,0,0,0,0|0,0,2]=4 105 B12R1.450 COC1=C(F)C=C(C#N)C(N)=C1 AT24118 [0,2,0,0,0,0|1,0,1]=4 106 B12R2.9 CNC1=CC=C(C2CC2)C=C1 AC8470 [0,1,0,1,0,0|2,0,0]=4 107 B12R2.9 OCC1=CN=C(C2CC2)C=C1 AT22118 [0,1,0,1,0,0|2,0,0]=4 108 B12R2.9 OCC1=NC=C(C2CC2)C=C1 AT22125 [0,1,0,1,0,0|2,0,0]=4 109 B12R2.44 CSC1=CC2=C(C=C1)CNC2 84321 [0,1,0,1,0,0|1,1,0]=4 110 B12R2.44 OCC1=CC2=C(C=C1)CCO2 Y10546 [0,1,0,1,0,0|1,0,0]=3 111 B12R2.44 OCC1=CN=C2OC=CC2=C1 98456 [0,1,0,1,0,0|1,0,1]=4 112 B8R1.1 CC1=CC(CN)=CS1 D76884 [1,0,0,0,1,0|2,0,0]=4 113 B8R1.1 CC1=COC(CN)=C1 P11789 [1,0,0,0,1,0|2,0,0]=4 114 B8R1.1 CC1=NSC(CO)=C1 AT21143 [1,0,0,0,1,0|2,0,0]=4 115 B8R1.1 COC1=CC(Br)=CS1 P19567 [1,0,0,0,1,0|2,0,0]=4 116 B8R1.1 COC1=NOC(O)=C1 AT19567 [1,0,0,0,1,0|2,0,0]=4 117 B8R1.1 OCC1=CC(F)=CS1 D74661 [1,0,0,0,1,0|2,0,0]=4 118 B8R1.1 OCC1=CC=C(Cl)O1 AC8965 [1,0,0,0,1,0|2,0,0]=4 119 B8R1.1 OCC1=CC=C(F)O1 55270 [1,0,0,0,1,0|2,0,0]=4 120 B8R1.1 OCC1=COC(Br)=C1 AT23870 [1,0,0,0,1,0|2,0,0]=4 121 B10R1.172 C#CC1=CC(OC)=CN=C1 AT22617 [0,0,0,0,1,1|1,0,1]=4 122 B10R1.172 CCC1=CN=CC(CN)=C1 AT26760 [0,0,0,0,1,1|2,0,0]=4 123 B10R1.172 CNC1=CC=CC(CO)=C1 AT21038 [0,0,0,0,1,1|1,0,0]=3 124 B10R1.172 COC1=CC=NC(CCl)=N1 D87573 [0,0,0,0,1,1|2,0,0]=4 125 B10R1.172 COC1=NC(CN)=CN=C1 D76775 [0,0,0,0,1,1|2,0,0]=4 126 B10R1.172 COC1=NC(CO)=NC=C1 D74725 [0,0,0,0,1,1|1,0,0]=3 127 B10R1.172 COC1=NC=CC(CBr)=C1 C71690 [0,0,0,0,1,1|1,0,0]=3 128 B10R1.172 [C-]#[N+]C1=CC=CC(OC)=C1 AC9601 [0,0,0,0,1,1|2,0,0]=4