0 B11R1.83 COC1=CC=C([Se]C#N)C=C1 AI-942/25034518 [0,0,0,0,0,0|2,0,1]=3 1 B11R1.83 COC1=CC=C(\C=N/O)C=C1 AG-777/25006430 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.1 CC1=CC=C(CCN)C=C1 AE-562/42006047 [1,0,0,0,0,0|1,0,0]=2 3 B10R1.1 CC1=CC=C(NC=O)C=C1 AR-360/41338148 [1,0,0,0,0,0|2,0,1]=4 4 B10R1.1 CC1=CC=C([Se]C#N)C=C1 AI-942/25034525 [1,0,0,0,0,0|2,0,1]=4 5 B10R1.1 CCOC1=CC=C(Br)C=N1 AC-907/25004667 [1,0,0,0,0,0|3,0,0]=4 6 B10R1.1 N#CCC1=CC=C(O)C=C1 AE-562/40164564 [1,0,0,0,0,0|1,0,1]=3 7 B10R1.1 N#CSC1=CC=C(O)C=C1 AJ-087/25124022 [1,0,0,0,0,0|2,0,1]=4 8 B10R1.1 O\N=C\C1=CC=C(O)C=C1 AF-753/00286030 [1,0,0,0,0,0|2,0,1]=4 9 B10R1.3 COC1=CC=C(C=S)C=C1 AB-131/40897145 [1,0,0,0,0,0|1,0,1]=3 10 B10R1.3 COC1=NN=C(OC)C=C1 AC-907/25004577 [1,0,0,0,0,0|3,0,0]=4 11 B10R1.3 N#CC1=CC=C(CI)C=C1 AC-907/25004768 [1,0,0,0,0,0|3,0,0]=4 12 B12R1.4 COC1=CC=C(CC(=O)O)C=C1 AE-562/40223956 [0,1,0,0,0,0|1,0,1]=3 13 B12R1.4 COC1=CC=C(NC(C)=O)C=C1 AE-641/00642037 [0,1,0,0,0,0|1,0,1]=3 14 B12R1.4 COC1=CC=C(NC(N)=S)C=C1 AE-641/30147012 [0,1,0,0,0,0|2,0,1]=4 15 B12R1.4 CSC1=CC=C(CC(=O)O)C=C1 AN-584/40897181 [0,1,0,0,0,0|1,1,1]=4 16 B12R1.5 CCC(=O)C1=CC=C(CBr)C=C1 AR-527/43405036 [0,1,0,0,0,0|2,0,1]=4 17 B12R1.5 CCC(=O)C1=CC=C(OC)C=C1 AB-131/40236160 [0,1,0,0,0,0|0,0,1]=2 18 B12R1.5 CCC(=O)C1=CC=C(SC)C=C1 AQ-917/42754488 [0,1,0,0,0,0|0,1,1]=3 19 B12R1.5 CNC(=O)C1=CC=C(OC)C=C1 AP-065/34563049 [0,1,0,0,0,0|1,0,1]=3 20 B12R1.5 COC(=O)C1=CC=C(OC)C=C1 AQ-917/40232598 [0,1,0,0,0,0|1,0,1]=3 21 B12R1.5 COC1=CC=C(C(=O)CCl)C=C1 AQ-917/42754012 [0,1,0,0,0,0|1,0,1]=3 22 B12R1.5 COC1=CC=C(C(=S)SC)C=C1 AB-131/42300886 [0,1,0,0,0,0|1,0,1]=3 23 B12R1.5 COC1=CC=C(\C(C)=N/O)C=C1 AN-308/25123014 [0,1,0,0,0,0|2,0,1]=4 24 B12R1.71 COC1=CC=C(OCCBr)C=C1 AH-481/02707035 [0,1,0,0,0,0|1,0,0]=2 25 B12R1.113 CCNC1=CC=C([N+](=O)[O-])C=C1 AE-562/43447810 [0,1,0,0,0,0|3,0,0]=4 26 B12R1.113 CCOC1=CC=C(C(=O)O)C=C1 AH-034/32461045 [0,1,0,0,0,0|3,0,0]=4 27 B12R1.113 CNCC1=CC=C(C(=O)O)C=C1 AE-562/43460635 [0,1,0,0,0,0|3,0,0]=4 28 B12R1.113 NCCC1=CC=C(C(=O)O)C=C1 AE-562/42531522 [0,1,0,0,0,0|3,0,0]=4 29 B12R1.113 NCCC1=CC=C([N+](=O)[O-])C=C1 AG-205/01866038 [0,1,0,0,0,0|3,0,0]=4 30 B12R1.113 O=C(O)C1=CC=C(CCBr)C=C1 AE-562/43460135 [0,1,0,0,0,0|3,0,0]=4 31 B12R2.44 COC1=CC2=C(C=C1)NC=C2 AB-337/25021007 [0,0,0,1,0,0|1,0,2]=4 32 B12R2.44 COC1=CC2=C(C=CN2)C=C1 AQ-776/40228276 [0,0,0,1,0,0|1,0,2]=4 33 B12R2.44 O=CC1=CC=C2NCCC2=C1 AT-051/43422878 [0,0,0,1,0,0|3,0,0]=4 34 B9R1.1 CCC1=CC=C(C)N=C1 AC-907/25014214 [2,0,0,0,0,0|1,0,0]=3 35 B9R1.1 CCC1=CC=[N+]([O-])C=C1 AC-907/25004702 [2,0,0,0,0,0|1,0,1]=4 36 B9R1.1 COC1=CC=C(Br)C=N1 AC-907/25004518 [2,0,0,0,0,0|2,0,0]=4 37 B9R1.1 COC1=CC=C(N)C=C1 AC-907/25014180 [2,0,0,0,0,0|1,0,0]=3 38 B9R1.1 COC1=CC=C(N)C=N1 AO-080/40859930 [2,0,0,0,0,0|2,0,0]=4 39 B9R1.1 NCC1=CC=C(Br)C=C1 AE-562/43286501 [2,0,0,0,0,0|2,0,0]=4 40 B9R1.1 NCC1=CC=C(I)C=C1 AE-562/43460670 [2,0,0,0,0,0|2,0,0]=4 41 B9R1.1 O=CC1=CC=C(O)C=C1 AB-131/40191192 [2,0,0,0,0,0|1,0,1]=4 42 B9R1.1 OCC1=CC=C(Cl)C=C1 AB-131/40228314 [2,0,0,0,0,0|2,0,0]=4 43 B9R1.8 CCOC1=CC=CC=N1 AC-907/25014179 [2,0,0,0,0,0|2,0,0]=4 44 B11R1.1 C=CCOC1=CC=C(O)C=C1 AK-087/42718133 [1,1,0,0,0,0|0,0,2]=4 45 B11R1.20 CC(=O)NC1=CC=C(C)C=C1 AH-034/32844007 [1,1,0,0,0,0|1,0,1]=4 46 B11R1.20 CC1=CC=C(CC(=O)O)C=C1 AC-509/25002068 [1,1,0,0,0,0|1,0,1]=4 47 B11R1.20 CN(C)CC1=CC=C(N)C=C1 AE-562/43286955 [1,1,0,0,0,0|2,0,0]=4 48 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 AM-814/41090691 [1,1,0,0,0,0|1,0,1]=4 49 B11R1.22 CC1=CC=C(C(O)C#N)C=C1 AK-823/41252323 [1,1,0,0,0,0|1,0,1]=4 50 B11R1.22 CC1=CC=C([S@](=O)CF)C=C1 AK-823/41252300 [1,1,0,0,0,0|2,0,0]=4 51 B11R1.22 CCC(=O)C1=CC=C(Br)C=C1 AH-034/32461042 [1,1,0,0,0,0|1,0,1]=4 52 B11R1.22 CCC(=O)C1=CC=C(N)C=C1 AE-641/00195035 [1,1,0,0,0,0|1,0,1]=4 53 B11R1.22 CCC(=O)C1=CC=C(O)C=C1 AF-676/00077028 [1,1,0,0,0,0|0,0,1]=3 54 B11R1.22 COC(=O)C1=CC=C(C)C=C1 AB-131/40218986 [1,1,0,0,0,0|1,0,1]=4 55 B11R1.81 CCOC1=CC=C(C)N=C1Br AN-584/43303034 [1,1,0,0,0,0|2,0,0]=4 56 B11R1.192 CCNC1=CC=C(O)C(O)=C1 AN-308/25123001 [1,1,0,0,0,0|1,0,0]=3 57 B11R1.3 CCC1=CC=C(C(=O)O)C=C1 AE-641/00011036 [1,1,0,0,0,0|2,0,0]=4 58 B11R1.3 COC1=CC=C(C(=O)O)C=C1 AE-848/32075009 [1,1,0,0,0,0|1,0,1]=4 59 B11R1.3 COC1=CC=C(C(C)=O)C=C1 AB-131/40174083 [1,1,0,0,0,0|0,0,1]=3 60 B11R1.3 COC1=CC=C([N+](=O)[O-])C=C1 AE-562/40237372 [1,1,0,0,0,0|2,0,0]=4 61 B11R1.3 CSC1=CC=C(C(C)=O)C=C1 AB-131/40227350 [1,1,0,0,0,0|0,1,1]=4 62 B11R1.279 COC1=CC(C)=C(C=S)C=C1 AB-131/42300946 [1,1,0,0,0,0|1,0,1]=4 63 B11R1.279 COC1=CC=C(CBr)N=C1Br AR-011/43408176 [1,1,0,0,0,0|2,0,0]=4 64 B11R1.279 COC1=CC=C(CO)N=C1Br AP-501/43408178 [1,1,0,0,0,0|2,0,0]=4 65 B11R1.279 COC1=COC(CO)=CC1=O AE-413/20387030 [1,1,0,0,0,0|2,0,0]=4 66 B13R1.35 COC1=C(O)C=C(CC(=O)O)C=C1 AE-508/43282304 [0,2,0,0,0,0|1,0,1]=4 67 B13R1.142 CCOC1=CC=C(NC(C)=O)C=C1 AE-848/04969036 [0,2,0,0,0,0|1,0,1]=4 68 B13R1.95 CCC(=O)C1=C(O)C=C(OC)C=C1 AP-065/41884142 [0,2,0,0,0,0|0,0,1]=3 69 B13R1.3088 CNC(=O)C1=CC=C(OC)C(Br)=C1 AN-329/43385915 [0,2,0,0,0,0|1,0,1]=4 70 B13R1.3088 COC(=O)C1=CC=C(OC)C(Cl)=C1 AQ-358/43417406 [0,2,0,0,0,0|1,0,1]=4 71 B13R1.3 COC1=CC=C(NCC(=O)O)C=C1 AF-399/33330033 [0,2,0,0,0,0|1,0,1]=4 72 B13R1.3 COC1=CC=C(OCC(=O)O)C=C1 AC-907/25014254 [0,2,0,0,0,0|1,0,1]=4 73 B13R1.3 COC1=CC=C(\C=C\C(C)=O)C=C1 AF-962/00512033 [0,2,0,0,0,0|0,0,2]=4 74 B13R1.3 COC1=CC=C(\C=C\S(C)=O)C=C1 AK-823/41252408 [0,2,0,0,0,0|0,0,2]=4 75 B13R1.371 COC1=CC=C(CCCCO)C=C1 AN-584/43485240 [0,2,0,0,0,0|0,0,0]=2 76 B13R1.371 COC1=CC=C(NCCC#N)C=C1 AE-562/41428891 [0,2,0,0,0,0|0,0,1]=3 77 B13R1.4031 CCCC1=NC(C)=C(OC)C(N)=N1 AB-323/25048158 [0,2,0,0,0,0|2,0,0]=4 78 B13R2.2130 COC1=CC2=C(C=C1)C(=O)CC2 AT-051/40178783 [0,1,0,1,0,0|0,0,1]=3 79 B13R2.2130 COC1=CC2=C(C=C1)C(=O)CO2 AM-807/25099016 [0,1,0,1,0,0|1,0,1]=4 80 B13R2.669 COC1=CC=C2CCC(=O)C2=C1 AT-051/43421128 [0,1,0,1,0,0|0,0,1]=3 81 B13R2.430 O=C(O)C1=CC2=C(C=C1)CCC2 AE-562/43286929 [0,1,0,1,0,0|2,0,0]=4