0 B11R1.279 COC1=CC(C)=C(C=S)C=C1 AB-131/42300946 [0,0,0,0,0,0|1,1,0]=2 1 B11R1.279 CSC1=NC=C(C=O)C(N)=N1 AN-584/43408172 [0,0,0,0,0,0|3,1,0]=4 2 B10R1.3 COC1=CC=C(C=S)C=C1 AB-131/40897145 [1,0,0,0,0,0|0,1,0]=2 3 B10R1.25 CC1=CC=C(C#N)C(Br)=C1 AQ-344/43100001 [1,0,0,0,0,0|2,0,1]=4 4 B10R1.25 CC1=NC(O)=C(C#N)C=C1 AE-842/30162007 [1,0,0,0,0,0|2,0,1]=4 5 B10R1.25 O=CC1=CC=C(O)C=C1O AP-065/40195541 [1,0,0,0,0,0|0,0,0]=1 6 B10R1.176 COC1=CC(=O)N(C)C=C1 AC-907/25005589 [1,0,0,0,0,0|1,0,2]=4 7 B10R1.176 COC1=CC=C(C)C(N)=C1 AE-562/43460378 [1,0,0,0,0,0|1,0,1]=3 8 B10R1.176 COC1=CC=C(N)C(Cl)=C1 AN-584/40152016 [1,0,0,0,0,0|2,0,0]=3 9 B10R1.176 COC1=CC=[N+](C)C(C)=C1 AC-907/25004826 [1,0,0,0,0,0|2,0,1]=4 10 B10R1.176 O=CC1=CC=C(O)C(O)=C1 AR-360/40191185 [1,0,0,0,0,0|2,0,1]=4 11 B12R1.48 CN(C)C1=CC(O)=C(C=O)C=C1 AT-051/43422774 [0,1,0,0,0,0|1,0,0]=2 12 B12R1.48 CN(C)C1=CC=C(C=O)C(F)=C1 AT-051/43421149 [0,1,0,0,0,0|2,0,0]=3 13 B12R1.48 O=CC1=C(O)C=C([N+](=O)[O-])C=C1 AE-562/40210283 [0,1,0,0,0,0|2,0,0]=3 14 B12R1.78 COC1=CC(OC)=C(C#N)C=C1 AP-065/40232714 [0,1,0,0,0,0|1,0,1]=3 15 B12R1.78 COC1=CC(OC)=C(C=O)C=C1 AK-087/40243220 [0,1,0,0,0,0|0,0,0]=1 16 B12R1.78 COC1=CC=C(OC)C(CCl)=C1 AC-907/25125013 [0,1,0,0,0,0|3,0,0]=4 17 B12R1.301 COC1=CC(C)=C(C#N)C(C)=C1 AB-131/40897170 [0,1,0,0,0,0|2,0,1]=4 18 B12R1.301 COC1=CC(C)=C(C=O)C(C)=C1 AB-131/40231429 [0,1,0,0,0,0|1,0,0]=2 19 B12R1.301 COC1=CC(C)=C(C=S)C(C)=C1 AB-131/25126043 [0,1,0,0,0,0|1,1,0]=3 20 B12R1.450 COC1=CC(C)=C(OC)C=C1C AB-131/42300996 [0,1,0,0,0,0|3,0,0]=4 21 B12R1.450 COC1=CC(O)=C(C=O)C=C1Br AE-848/30539042 [0,1,0,0,0,0|0,0,0]=1 22 B12R1.452 COC1=CC(Br)=C([N+](=O)[O-])C=C1 AN-584/43409815 [0,1,0,0,0,0|2,0,0]=3 23 B12R1.452 COC1=CC(C)=C([N+](=O)[O-])C=C1 AE-562/43286417 [0,1,0,0,0,0|2,0,0]=3 24 B12R1.452 COC1=CC(Cl)=C([N+](=O)[O-])C=C1 AN-584/43422703 [0,1,0,0,0,0|2,0,0]=3 25 B12R1.452 COC1=CC(N)=C(C(=O)O)C=C1 AE-562/40250241 [0,1,0,0,0,0|1,0,0]=2 26 B12R1.452 COC1=CC(O)=C([N+](=O)[O-])C=C1 AQ-776/40236565 [0,1,0,0,0,0|1,0,0]=2 27 B12R1.452 COC1=CC=C(C(=O)O)C(C)=C1 AE-562/40229826 [0,1,0,0,0,0|1,0,0]=2 28 B12R1.452 CSC1=C[N+](C)=C(C(=O)O)C=C1 AJ-333/25022063 [0,1,0,0,0,0|2,1,0]=4 29 B12R2.44 COC1=CC2=C(C=C1)NC=C2 AB-337/25021007 [0,0,0,1,0,0|3,0,0]=4 30 B12R2.44 COC1=CC2=C(C=CN2)C=C1 AQ-776/40228276 [0,0,0,1,0,0|2,0,0]=3 31 B9R1.1 COC1=CC=C(Br)C=N1 AC-907/25004518 [2,0,0,0,0,0|2,0,0]=4 32 B9R1.1 COC1=CC=C(N)C=C1 AC-907/25014180 [2,0,0,0,0,0|1,0,0]=3 33 B9R1.1 COC1=CC=C(N)C=N1 AO-080/40859930 [2,0,0,0,0,0|2,0,0]=4 34 B9R1.1 O=CC1=CC=C(Br)C=C1 AB-131/40654019 [2,0,0,0,0,0|1,0,0]=3 35 B9R1.1 O=CC1=CC=C(O)C=C1 AB-131/40191192 [2,0,0,0,0,0|0,0,0]=2 36 B9R1.15 NC1=C(C=O)C=CC=N1 AA-516/30054004 [2,0,0,0,0,0|2,0,0]=4 37 B9R1.15 O=CC1=CC=CNC1=S AE-411/41415619 [2,0,0,0,0,0|1,1,0]=4 38 B9R1.69 CC1=CC(N)=C(N)C=C1 AC-907/25014184 [2,0,0,0,0,0|2,0,0]=4 39 B9R1.69 NC1=C(Br)C=C(O)C=C1 AN-584/43409803 [2,0,0,0,0,0|2,0,0]=4 40 B9R1.69 NC1=CC(O)=C(Br)C=C1 AN-584/43409802 [2,0,0,0,0,0|2,0,0]=4 41 B9R1.69 NC1=CC=C(Br)C=C1O AN-584/43422886 [2,0,0,0,0,0|2,0,0]=4 42 B9R1.69 NC1=CC=C(O)C=C1Cl AN-584/43422655 [2,0,0,0,0,0|2,0,0]=4 43 B9R1.69 OC1=CC(Br)=CC=C1Cl AO-801/41077424 [2,0,0,0,0,0|2,0,0]=4 44 B9R1.2 COC1=CC(Br)=CN=C1 AC-907/25004516 [2,0,0,0,0,0|2,0,0]=4 45 B9R1.2 COC1=CC(Cl)=CN=C1 AN-584/42206185 [2,0,0,0,0,0|2,0,0]=4 46 B9R1.2 COC1=CC=NC(O)=C1 AC-907/34117039 [2,0,0,0,0,0|1,0,0]=3 47 B11R1.3 CC(=O)C1=CC=C(C#N)C=C1 AE-562/40237167 [1,1,0,0,0,0|2,0,0]=4 48 B11R1.3 CCC1=CC=C(C(=O)O)C=C1 AE-641/00011036 [1,1,0,0,0,0|1,0,0]=3 49 B11R1.3 CCC1=CC=C(C(=O)O)N=C1 AG-690/37166084 [1,1,0,0,0,0|2,0,0]=4 50 B11R1.3 CN(C)C1=CC=C(C=O)C=C1 AG-205/03202034 [1,1,0,0,0,0|1,0,0]=3 51 B11R1.3 CN(C)C1=CC=C(N=O)C=C1 AB-131/40181212 [1,1,0,0,0,0|2,0,0]=4 52 B11R1.3 CNC1=CC=C([N+](=O)[O-])C=C1 AC-907/25014172 [1,1,0,0,0,0|2,0,0]=4 53 B11R1.3 COC1=CC=C(C(=O)O)C=C1 AE-848/32075009 [1,1,0,0,0,0|0,0,0]=2 54 B11R1.3 COC1=CC=C(C(=O)O)N=C1 AE-562/43286910 [1,1,0,0,0,0|1,0,0]=3 55 B11R1.3 COC1=CC=C(C(C)=O)C=C1 AB-131/40174083 [1,1,0,0,0,0|0,0,0]=2 56 B11R1.3 COC1=CC=C([N+](=O)[O-])C=C1 AE-562/40237372 [1,1,0,0,0,0|1,0,0]=3 57 B11R1.3 COC1=CC=C([N+](=O)[O-])C=N1 AP-123/40869702 [1,1,0,0,0,0|2,0,0]=4 58 B11R1.3 CSC1=CC=C(C(=O)O)C=N1 AJ-333/25022080 [1,1,0,0,0,0|1,1,0]=4 59 B11R1.3 CSC1=CC=C(C(C)=O)C=C1 AB-131/40227350 [1,1,0,0,0,0|0,1,0]=3 60 B11R1.3 N#CC1=CC=C(C(=O)O)C=C1 AC-907/25014365 [1,1,0,0,0,0|2,0,0]=4 61 B11R1.3 NC(=O)C1=CC=C(CCl)C=C1 AC-907/25014207 [1,1,0,0,0,0|2,0,0]=4 62 B11R1.3 O=CC1=CC=C(B(O)O)C=C1 AF-399/25108026 [1,1,0,0,0,0|2,0,0]=4 63 B11R1.3 O=CC1=CC=C(C(=O)O)C=C1 AE-562/40596592 [1,1,0,0,0,0|2,0,0]=4 64 B11R1.3 O=CC1=CC=C([N+](=O)[O-])C=C1 AB-131/40217801 [1,1,0,0,0,0|2,0,0]=4 65 B11R1.83 COC1=CC=C([Se]C#N)C=C1 AI-942/25034518 [1,1,0,0,0,0|1,0,1]=4 66 B11R1.83 COC1=CC=C(\C=N/O)C=C1 AG-777/25006430 [1,1,0,0,0,0|0,0,1]=3 67 B11R1.37 COC1=C(OC)C=C(O)C=C1 AE-508/42302277 [1,1,0,0,0,0|2,0,0]=4 68 B11R1.81 CC1=CC(Br)=C(NC=O)C=C1 AJ-804/11075011 [1,1,0,0,0,0|1,0,0]=3 69 B11R1.166 CC1=C([N+](=O)[O-])C=CC(O)=C1 AE-562/43285825 [1,1,0,0,0,0|2,0,0]=4 70 B11R1.166 CC1=CC(C)=C(C(=O)O)C=C1 AE-562/40207817 [1,1,0,0,0,0|1,0,0]=3 71 B11R1.166 CC1=CC(C)=C(C(=O)O)C=N1 AC-907/25004794 [1,1,0,0,0,0|2,0,0]=4 72 B11R1.166 CC1=CC(C)=C(C(N)=O)C=N1 AC-907/34120009 [1,1,0,0,0,0|2,0,0]=4 73 B11R1.166 CC1=CC(Cl)=CC=C1C(=O)O AE-842/31479031 [1,1,0,0,0,0|2,0,0]=4 74 B11R1.166 CC1=CC(F)=CC=C1C(=O)O AE-562/43053313 [1,1,0,0,0,0|2,0,0]=4 75 B11R1.166 CC1=CC(N)=CC=C1C(=O)O AE-562/43286946 [1,1,0,0,0,0|2,0,0]=4 76 B11R1.166 CC1=CC(O)=C(C(C)C)C=C1 AE-562/43461428 [1,1,0,0,0,0|1,0,1]=4 77 B11R1.166 CC1=CC=C([N+](=O)[O-])C(Br)=C1 AC-907/25004621 [1,1,0,0,0,0|2,0,0]=4 78 B11R1.166 CC1=CC=C([N+](=O)[O-])C(O)=N1 AN-228/40173369 [1,1,0,0,0,0|2,0,0]=4 79 B11R1.166 NC1=CC=C(C(=O)O)C(Cl)=C1 AN-584/43417486 [1,1,0,0,0,0|2,0,0]=4 80 B11R1.166 O=C(O)C1=C(Cl)C=C(Cl)C=C1 AG-617/02198062 [1,1,0,0,0,0|2,0,0]=4 81 B11R1.166 O=C(O)C1=C(O)C=C(O)C=C1 AE-562/41921969 [1,1,0,0,0,0|0,0,0]=2 82 B11R1.166 O=C(O)C1=C(O)C=C(O)N=C1 AC-907/25004515 [1,1,0,0,0,0|1,0,0]=3 83 B11R1.166 O=C(O)C1=CC=C(I)C=C1Cl AR-527/42979554 [1,1,0,0,0,0|2,0,0]=4 84 B11R1.166 O=[N+]([O-])C1=C(Br)C=C(O)C=C1 AN-584/43409811 [1,1,0,0,0,0|2,0,0]=4 85 B11R1.166 O=[N+]([O-])C1=CC=C(Br)C=C1O AN-584/43409809 [1,1,0,0,0,0|2,0,0]=4 86 B11R1.166 O=[N+]([O-])C1=CC=C(Cl)C=C1O AN-584/43362395 [1,1,0,0,0,0|2,0,0]=4 87 B11R1.166 O=[N+]([O-])C1=CC=C(O)C=C1Cl AF-936/31260047 [1,1,0,0,0,0|2,0,0]=4 88 B11R1.166 O=[N+]([O-])C1=CC=C(O)C=C1O AE-562/43461488 [1,1,0,0,0,0|1,0,0]=3 89 B11R1.14 COC1=CC(C)=C(Br)C(C)=C1 AF-962/00514014 [1,1,0,0,0,0|2,0,0]=4 90 B11R1.21 CC(=O)C1=CC=C(O)C(O)=C1 AE-641/00345018 [1,1,0,0,0,0|1,0,1]=4 91 B11R1.192 CCNC1=CC=C(O)C(O)=C1 AN-308/25123001 [1,1,0,0,0,0|1,0,1]=4 92 B11R1.280 COC1=CC=C(N)C(CO)=C1 AN-584/43409805 [1,1,0,0,0,0|1,0,0]=3 93 B13R1.652 CN(C)C1=CC(F)=C(C=O)C=C1F AT-051/43421152 [0,2,0,0,0,0|2,0,0]=4 94 B13R1.3096 CC1=C(C=O)C=CC(N(C)C)=C1C AT-051/43422583 [0,2,0,0,0,0|2,0,0]=4 95 B13R1.3096 COC1=CC=C(C(C)=O)C(O)=C1I AP-960/14996072 [0,2,0,0,0,0|0,0,0]=2 96 B13R1.99 COC1=CC(C=O)=C([N+](=O)[O-])C=C1 AE-508/43282366 [0,2,0,0,0,0|1,0,1]=4 97 B13R1.99 COC1=CC=C([N+](=O)[O-])C(OC)=C1 CS-001/03839047 [0,2,0,0,0,0|1,0,0]=3 98 B13R1.2200 COC1=C(OC)C=C(C=O)C(C)=C1 AP-065/41884115 [0,2,0,0,0,0|1,0,0]=3 99 B13R1.2200 COC1=CC(Br)=C(C=O)C=C1OC AE-641/00770022 [0,2,0,0,0,0|1,0,0]=3 100 B13R1.95 CCC(=O)C1=C(O)C=C(OC)C=C1 AP-065/41884142 [0,2,0,0,0,0|0,0,0]=2 101 B13R1.3945 COC1=CC(C)=C(\C=N\O)C(C)=C1 AB-131/42300994 [0,2,0,0,0,0|1,0,1]=4 102 B13R1.428 COC1=CC(C)=C(C(=O)O)C(C)=C1 AB-131/25126040 [0,2,0,0,0,0|1,0,0]=3 103 B13R1.428 COC1=CC(C)=C(C(C)=O)C(C)=C1 AB-131/42301491 [0,2,0,0,0,0|1,0,0]=3 104 B11R1.159 CN1C=CC=C(C(=O)O)C1=O AJ-333/25006182 [0,0,1,1,0,0|2,0,0]=4 105 B13R2.57 COC1=CC=C2C=CC=CC2=C1 AF-676/00077048 [0,1,0,1,0,0|2,0,0]=4 106 B13R2.2130 COC1=CC2=C(C=C1)C(=O)CC2 AT-051/40178783 [0,1,0,1,0,0|1,0,0]=3 107 B13R2.2130 COC1=CC2=C(C=C1)C(=O)CO2 AM-807/25099016 [0,1,0,1,0,0|0,0,0]=2 108 B13R2.2130 N#CC1=CC=C2C(=O)OCC2=C1 AR-011/40257489 [0,1,0,1,0,0|2,0,0]=4 109 B13R2.654 COC1=CC2=C(N=CS2)C(N)=C1 AN-970/40920532 [0,1,0,1,0,0|1,1,0]=4 110 B13R2.2121 COC1=CC2=C(C=C1)N=C(N)S2 AE-641/00784022 [0,1,0,1,0,0|1,1,0]=4 111 B13R2.2121 COC1=CC2=C(C=C1)NC(S)=N2 AN-829/05700007 [0,1,0,1,0,0|1,1,0]=4 112 B13R2.599 O=CC1=C(Br)C=C2OCOC2=C1 AE-641/00346054 [0,1,0,1,0,0|1,0,0]=3 113 B9R1.22 CC1=CC(C=O)=C(C)N1 AA-516/30054053 [1,0,0,0,1,0|2,0,0]=4