0 B10R1.3 CCC1=NC=C(C=O)C=C1 53643 [0,0,0,0,0,0|1,0,0]=1 1 B10R1.3 CNC1=CC=C(NC)C=C1 AT11002 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.3 [C-]#[N+]C1=CN=C(OC)C=C1 AC9404 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.1 CC1=CN=C(CBr)C=C1 AC9707 [1,0,0,0,0,0|2,0,1]=4 4 B9R1.1 CCC1=CC=C(N)N=N1 AT21731 [1,0,0,0,0,0|3,0,0]=4 5 B9R1.1 CCC1=NC=C(O)C=C1 D76529 [1,0,0,0,0,0|1,0,1]=3 6 B9R1.1 CC[C@@H]1C=CC(=O)CC1 AT12677 [1,0,0,0,0,0|0,0,3]=4 7 B9R1.1 NC1=CN=C(CO)C=C1 D77165 [1,0,0,0,0,0|3,0,0]=4 8 B9R1.1 NCC1=NNC(=O)C=C1 C77052 [1,0,0,0,0,0|3,0,0]=4 9 B9R1.1 O=CC1=NC=C(O)C=N1 H11149 [1,0,0,0,0,0|3,0,0]=4 10 B11R1.3 CNC1=CN=C([N+](=O)[O-])C=C1 D86002 [0,1,0,0,0,0|3,0,0]=4 11 B11R1.3 CNC1=NC=C(C(=N)N)C=C1 AT24739 [0,1,0,0,0,0|3,0,0]=4 12 B11R1.3 COC1=CN=C([C@H](C)N)C=C1 N14204 [0,1,0,0,0,0|3,0,0]=4 13 B11R1.3 C[C@H](N)C1=CN=C(C#N)C=C1 P19331 [0,1,0,0,0,0|2,0,1]=4 14 B11R1.3 C[C@H](O)C1=CC=C(C=O)C=C1 D74867 [0,1,0,0,0,0|0,0,0]=1 15 B11R1.3 NCC1=NC=C(C(=O)O)C=N1 AT18397 [0,1,0,0,0,0|3,0,0]=4 16 B11R1.3 NCC1=NC=C(C(N)=O)C=C1 O11498 [0,1,0,0,0,0|2,0,0]=3 17 B11R1.3 O=C(O)C1=CC=C(CF)C=C1 E72963 [0,1,0,0,0,0|1,0,0]=2 18 B11R1.3 O=CC1=CN=C(B(O)O)C=C1 D75526 [0,1,0,0,0,0|3,0,0]=4 19 B11R1.3 O=CC1=CN=C(C(F)F)C=C1 E72882 [0,1,0,0,0,0|2,0,0]=3 20 B11R1.83 C#CCC1=CC=C(OC)C=C1 D75643 [0,1,0,0,0,0|2,0,1]=4 21 B11R1.83 CCCC1=NC=C(C=O)C=N1 F16120 [0,1,0,0,0,0|2,0,0]=3 22 B11R1.83 CCOC1=CN=C(C=O)N=C1 AT18296 [0,1,0,0,0,0|2,0,0]=3 23 B11R1.83 CNCC1=CC=C(SC)C=C1 D76957 [0,1,0,0,0,0|2,0,0]=3 24 B11R1.83 COC1=NC=C(CCCl)C=C1 AC9638 [0,1,0,0,0,0|3,0,0]=4 25 B11R1.83 N#CC1=CC=C(CC=O)C=C1 O11066 [0,1,0,0,0,0|1,0,1]=3 26 B11R1.83 NCCC1=CC=C(CO)C=C1 20461 [0,1,0,0,0,0|0,0,2]=3 27 B11R1.83 O=CC1=CC=C(CCBr)C=C1 AC8890 [0,1,0,0,0,0|0,0,0]=1 28 B11R1.279 COC1=CC(Cl)=C(CN)C=C1 43820 [0,1,0,0,0,0|2,0,1]=4 29 B11R1.279 COC1=CC(F)=C(C=O)C=N1 97686 [0,1,0,0,0,0|2,0,0]=3 30 B11R1.279 CSC1=CC(F)=C(C#N)C=C1 AT24049 [0,1,0,0,0,0|2,0,1]=4 31 B9R1.21 CCN1N=CC(C=O)=N1 AT25229 [0,0,0,0,1,0|3,0,0]=4 32 B8R1.2 CCC1=NC=CC=N1 D86044 [2,0,0,0,0,0|2,0,0]=4 33 B8R1.2 C[13CH2]C1=CC=CC=C1 D98792 [2,0,0,0,0,0|0,0,0]=2 34 B10R1.1 C#CCC1=CC=C(Cl)C=C1 D75642 [1,1,0,0,0,0|1,0,1]=4 35 B10R1.1 NCCC1=CNC(=O)C=C1 FD7157 [1,1,0,0,0,0|1,0,0]=3 36 B10R1.1 NCCC1=CNC(=O)N=C1 AT18222 [1,1,0,0,0,0|2,0,0]=4 37 B10R1.1 O=CCC1=CN=C(Br)C=C1 AC9639 [1,1,0,0,0,0|2,0,0]=4 38 B10R1.13 CC1=CN=C([C@H](C)N)C=C1 C91123 [1,1,0,0,0,0|1,0,1]=4 39 B10R1.13 CC1=CN=C([C@H](C)N)C=C1 C92102 [1,1,0,0,0,0|1,0,1]=4 40 B10R1.13 CC1=NC=C([C@H](C)N)C=C1 D96383 [1,1,0,0,0,0|1,0,1]=4 41 B10R1.13 C[C@H](N)C1=CN=C(Cl)C=C1 90823 [1,1,0,0,0,0|2,0,0]=4 42 B10R1.13 C[C@H](N)C1=CN=C(Cl)C=C1 90824 [1,1,0,0,0,0|2,0,0]=4 43 B10R1.13 C[C@H](N)C1=CN=C(Cl)C=C1 D96354 [1,1,0,0,0,0|2,0,0]=4 44 B10R1.13 C[C@H](N)C1=CN=C(F)C=C1 AC7189 [1,1,0,0,0,0|2,0,0]=4 45 B10R1.13 C[C@H](O)C1=NC=C(F)C=C1 AT10692 [1,1,0,0,0,0|2,0,0]=4 46 B10R1.13 C[C@H](O)C1=NC=C(F)C=C1 AT10693 [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|2,0,0]=4 48 B10R1.13 C[S@](=O)C1=CC=C(Br)C=C1 F50317 [1,1,0,0,0,0|2,0,0]=4 49 B10R1.13 O=C(F)C1=CC=C(F)C=C1 AT22483 [1,1,0,0,0,0|1,0,0]=3 50 B10R1.13 OC1=CC=C(C(F)F)C=C1 78024 [1,1,0,0,0,0|1,0,1]=4 51 B10R1.25 CC1=CC(Cl)=C(C=O)C=N1 AT24663 [1,1,0,0,0,0|1,0,0]=3 52 B10R1.25 CC1=CC(F)=CN=C1C=O P19560 [1,1,0,0,0,0|2,0,0]=4 53 B10R1.25 CSC1=C(Br)C=C(N)C=C1 D87910 [1,1,0,0,0,0|2,0,0]=4 54 B10R1.25 O=CC1=CN=C(Cl)C=C1O AC9110 [1,1,0,0,0,0|2,0,0]=4 55 B10R1.25 O=CC1=NC=C(Br)C=C1O AT21333 [1,1,0,0,0,0|2,0,0]=4 56 B10R1.25 [BH3-]C1=CC(Cl)=C(CO)C=C1 AC7773 [1,1,0,0,0,0|2,0,0]=4 57 B10R1.176 CC1=C(Br)C=C(CN)C=C1 AC7764 [1,1,0,0,0,0|1,0,1]=4 58 B10R1.176 CCC1=CC(C)=C(Br)C=N1 AT24017 [1,1,0,0,0,0|2,0,0]=4 59 B10R1.176 COC1=CC(I)=C(F)C=C1 79389 [1,1,0,0,0,0|2,0,0]=4 60 B10R1.176 CSC1=CC(Br)=C(O)C=C1 C14584 [1,1,0,0,0,0|1,0,1]=4 61 B10R1.176 CSC1=CC(N)=C(N)C=C1 AT20962 [1,1,0,0,0,0|2,0,0]=4 62 B10R1.176 NC1=C(Br)C=CC(C=O)=C1 AT23717 [1,1,0,0,0,0|1,0,0]=3 63 B10R1.176 NCC1=CC(Br)=C(I)C=C1 AT26930 [1,1,0,0,0,0|2,0,0]=4 64 B10R1.176 O=CC1=CC(Br)=C(F)C=N1 AT22892 [1,1,0,0,0,0|2,0,0]=4 65 B10R1.176 O=CC1=CC(Cl)=C(F)C=N1 AT23488 [1,1,0,0,0,0|2,0,0]=4 66 B10R1.176 O=CC1=CC=C(F)C(Br)=N1 54870 [1,1,0,0,0,0|2,0,0]=4 67 B10R1.176 O=CC1=CNC(=O)C(I)=C1 D74794 [1,1,0,0,0,0|2,0,0]=4 68 B10R1.176 O=CC1=NC(F)=C(Br)C=C1 AT22890 [1,1,0,0,0,0|2,0,0]=4 69 B10R1.176 OCC1=CC(Br)=C(I)C=C1 AT26048 [1,1,0,0,0,0|2,0,0]=4 70 B10R1.176 OCC1=CC(Cl)=C(O)C=C1 D88156 [1,1,0,0,0,0|1,0,1]=4 71 B10R1.31 CCC1=CC=C(C(=O)O)N1 D74884 [0,1,0,0,1,0|1,0,0]=3 72 B12R1.5 C#CC1=CC=C(C(=O)NC)C=C1 D75637 [0,2,0,0,0,0|0,0,2]=4 73 B12R1.6 CC(F)(F)C1=CC=C(C=O)C=C1 F30564 [0,2,0,0,0,0|0,0,0]=2 74 B12R1.6 NCC1=CC=C(P(=O)(O)O)C=C1 D74914 [0,2,0,0,0,0|2,0,0]=4 75 B12R1.48 C[C@H](N)C1=CC(F)=C(C#N)C=C1 AT24132 [0,2,0,0,0,0|1,0,1]=4 76 B12R1.48 C[C@H](N)C1=CC(F)=C(C#N)C=C1 AT24133 [0,2,0,0,0,0|1,0,1]=4 77 B12R1.48 O=CC1=C(Cl)C=C(C(F)F)C=N1 97702 [0,2,0,0,0,0|2,0,0]=4 78 B12R1.48 O=CC1=C(F)C=C(C(F)F)C=C1 AT19259 [0,2,0,0,0,0|1,0,0]=3 79 B12R1.113 CC#CC1=CC=C(C(=O)O)C=C1 C74152 [0,2,0,0,0,0|0,0,1]=3 80 B12R1.113 CCOC1=NC=C(C(=N)N)C=C1 AT24741 [0,2,0,0,0,0|2,0,0]=4 81 B12R1.113 O=[N+]([O-])C1=CN=C(CCO)C=C1 P11519 [0,2,0,0,0,0|2,0,0]=4 82 B12R1.256 CC(=O)C1=CN=C(C(F)F)C=C1 E73013 [0,2,0,0,0,0|2,0,0]=4 83 B12R1.256 CC(C)C1=CN=C(C(=O)O)C=N1 D76743 [0,2,0,0,0,0|2,0,0]=4 84 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 85 B12R1.452 CCC1=CC(F)=C(B(O)O)C=C1 AT23663 [0,2,0,0,0,0|1,0,1]=4 86 B12R1.452 COC1=CC(Br)=C([C@H](C)N)C=C1 C92025 [0,2,0,0,0,0|2,0,0]=4 87 B12R1.452 COC1=CC(Br)=C([C@H](C)N)C=C1 C92056 [0,2,0,0,0,0|2,0,0]=4 88 B12R1.452 COC1=CC(Cl)=C([C@H](C)N)C=C1 E72732 [0,2,0,0,0,0|2,0,0]=4 89 B12R1.452 NCC1=CC(F)=C([N+](=O)[O-])C=C1 F53652 [0,2,0,0,0,0|2,0,0]=4 90 B12R1.452 NCC1=CC(F)=C([N+](=O)[O-])C=C1 O10084 [0,2,0,0,0,0|2,0,0]=4 91 B12R1.452 O=CC1=CC(O)=C(C(=O)O)C=C1 O11231 [0,2,0,0,0,0|1,0,1]=4 92 B12R1.4 C#CC1=CC=C(NC(C)=O)C=C1 D75638 [0,2,0,0,0,0|0,0,2]=4 93 B12R1.4 CC(=O)NC1=CC=C(O[13CH3])C=C1 41458 [0,2,0,0,0,0|1,0,0]=3 94 B12R1.71 C#CCCC1=CC=C(OC)C=C1 D75652 [0,2,0,0,0,0|2,0,0]=4 95 B12R1.288 C\C=C\C1=CC(O)=C(OC)C=C1 A11367 [0,2,0,0,0,0|2,0,0]=4 96 B12R1.78 COC1=C(C#N)N=C(C=O)C=C1 F51301 [0,2,0,0,0,0|2,0,0]=4 97 B12R1.78 COC1=CC(OC)=C(C=O)C=N1 97683 [0,2,0,0,0,0|2,0,0]=4 98 B12R1.78 COC1=CN=C(C=O)C=C1OC D85760 [0,2,0,0,0,0|2,0,0]=4 99 B12R1.78 N#CC1=CC(C#N)=C(C=O)C=C1 D72726 [0,2,0,0,0,0|1,0,1]=4 100 B12R1.301 COC1=CC(I)=C(C=O)C(I)=C1 AT18558 [0,2,0,0,0,0|1,0,0]=3 101 B12R1.301 N#CC1=CC(Br)=C(C=O)C(Br)=C1 D77410 [0,2,0,0,0,0|1,0,1]=4 102 B12R1.653 N#CC1=CC=C(C=O)C(F)=C1F D77239 [0,2,0,0,0,0|1,0,1]=4 103 B10R1.2 CCC1=C(C)C(C)=CC=C1 T73080 [0,0,1,1,0,0|1,0,1]=4 104 B12R2.9 CNC1=CC=C(C2CC2)C=C1 AC8470 [0,1,0,1,0,0|2,0,0]=4 105 B12R2.9 O=CC1=CN=C(C2CC2)C=C1 AT22120 [0,1,0,1,0,0|1,0,0]=3 106 B12R2.9 O=CC1=NC=C(C2CC2)C=C1 AT22126 [0,1,0,1,0,0|1,0,0]=3 107 B12R2.44 BrCC1=CC2=C(C=C1)C=NN2 W18990 [0,1,0,1,0,0|2,0,0]=4 108 B12R2.44 CCC1=NC2=C(C=CN2)C=C1 72179 [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|2,0,0]=4 110 B12R2.44 NCC1=CC2=C(C=C1)N=CN2 D77009 [0,1,0,1,0,0|2,0,0]=4 111 B12R2.44 NCC1=CC2=C(C=C1)N=CS2 C11426 [0,1,0,1,0,0|1,1,0]=4 112 B12R2.44 NCC1=CC2=C(C=CO2)C=C1 AT26015 [0,1,0,1,0,0|1,0,1]=4 113 B12R2.44 NCC1=CC2=C(C=CO2)C=C1 F20182 [0,1,0,1,0,0|1,0,1]=4 114 B12R2.44 OCC1=CC2=C(C=C1)CCO2 Y10546 [0,1,0,1,0,0|0,0,2]=4 115 B8R1.1 CC1=CC(C=O)=NS1 F14135 [1,0,0,0,1,0|2,0,0]=4 116 B8R1.1 CC1=COC(C=O)=C1 P11782 [1,0,0,0,1,0|1,0,0]=3 117 B8R1.1 CCC1=CC=C(N)S1 AT14665 [1,0,0,0,1,0|2,0,0]=4 118 B8R1.1 O=CC1=CC(Cl)=CN1 P10223 [1,0,0,0,1,0|2,0,0]=4 119 B8R1.1 O=CC1=CC(F)=CS1 D74660 [1,0,0,0,1,0|2,0,0]=4 120 B8R1.1 O=CC1=CC=C(F)S1 87160 [1,0,0,0,1,0|2,0,0]=4 121 B8R1.1 O=CC1=CNC(I)=C1 AC9285 [1,0,0,0,1,0|2,0,0]=4 122 B10R1.172 CCC1=CN=CC(CN)=C1 AT26760 [0,0,0,0,1,1|1,0,1]=4 123 B10R1.172 COC1=CN=CC(C=O)=N1 P12239 [0,0,0,0,1,1|2,0,0]=4