0 B11R1.280 COC1=CC(C=O)=CC=C1O AC-907/21098004 [0,0,0,0,0,0|0,0,0]=0 1 B11R1.280 O=CC1=CC=C(O)C(C=O)=C1 AA-516/30054020 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.30 CC1=CC=C(O)C(CO)=C1 AE-562/43461492 [1,0,0,0,0,0|2,0,1]=4 3 B10R1.30 COC1=C(N)C=CC(Br)=C1 AN-584/11607260 [1,0,0,0,0,0|2,0,0]=3 4 B10R1.30 COC1=CC(Cl)=CC=C1N AN-584/43422715 [1,0,0,0,0,0|2,0,0]=3 5 B10R1.30 N#CC1=CC(N)=CC=C1O AC-907/34118026 [1,0,0,0,0,0|3,0,0]=4 6 B10R1.30 O=CC1=C(O)C=CC(Br)=C1 AC-907/34104064 [1,0,0,0,0,0|3,0,0]=4 7 B10R1.172 CNC1=CC(SC)=CC=C1 AR-527/43405045 [1,0,0,0,0,0|2,1,0]=4 8 B10R1.172 COC1=CN=CC(OC)=C1 AC-907/34118062 [1,0,0,0,0,0|3,0,0]=4 9 B10R1.172 CSC1=NC=CC(C=O)=N1 AR-527/43405034 [1,0,0,0,0,0|2,1,0]=4 10 B10R1.172 O=CC1=CC=CC(C=O)=C1 AT-051/40181211 [1,0,0,0,0,0|2,0,0]=3 11 B10R1.176 CC1=CC=C(C=O)C=C1Br AB-131/25126042 [1,0,0,0,0,0|2,0,0]=3 12 B10R1.176 O=CC1=CC(=O)C(O)=CO1 AI-942/25034140 [1,0,0,0,0,0|1,0,1]=3 13 B10R1.176 O=CC1=CC=C(O)C(O)=C1 AR-360/40191185 [1,0,0,0,0,0|0,0,0]=1 14 B12R1.56 COC1=CC(C(C)=O)=CC=C1O AA-504/20839006 [0,1,0,0,0,0|0,0,0]=1 15 B12R1.56 COC1=CC([N+](=O)[O-])=CC=C1Br AE-641/00638021 [0,1,0,0,0,0|2,0,0]=3 16 B12R1.56 COC1=CC([N+](=O)[O-])=CC=C1N AQ-776/40179312 [0,1,0,0,0,0|2,0,0]=3 17 B12R1.56 CSC1=[N+](C)C=CC(C(=O)O)=C1 AJ-333/25022075 [0,1,0,0,0,0|2,1,0]=4 18 B12R1.56 O=CC1=CC([N+](=O)[O-])=CC=C1O AH-034/32841024 [0,1,0,0,0,0|3,0,0]=4 19 B12R1.78 COC1=C(OC)C=C(C#N)C=C1 AP-065/41884102 [0,1,0,0,0,0|1,0,1]=3 20 B12R1.78 COC1=C(OC)C=C(C=O)C=C1 AH-034/32845024 [0,1,0,0,0,0|0,0,0]=1 21 B12R1.78 COC1=CC(OC)=C(C#N)C=C1 AP-065/40232714 [0,1,0,0,0,0|3,0,0]=4 22 B12R1.78 COC1=CC(OC)=C(C=O)C=C1 AK-087/40243220 [0,1,0,0,0,0|2,0,1]=4 23 B12R1.300 CC1=CC(C=O)=CC(C=O)=C1O AE-848/30539050 [0,1,0,0,0,0|2,0,0]=3 24 B12R1.300 COC1=C(O)C(O)=CC(C=O)=C1 AE-562/43346630 [0,1,0,0,0,0|0,0,0]=1 25 B12R1.453 O=CC1=CC=C(Br)C([N+](=O)[O-])=C1 AG-690/15433594 [0,1,0,0,0,0|3,0,0]=4 26 B12R2.44 O=CC1=CC=C2NCCC2=C1 AT-051/43422878 [0,0,0,1,0,0|2,0,0]=3 27 B12R2.44 OCC1=CC=C2OCOC2=C1 AP-065/40214405 [0,0,0,1,0,0|0,0,2]=3 28 B9R1.2 COC1=CC(=O)NN=C1 AP-786/40231833 [2,0,0,0,0,0|2,0,0]=4 29 B9R1.2 COC1=CC(Br)=CN=C1 AC-907/25004516 [2,0,0,0,0,0|2,0,0]=4 30 B9R1.2 COC1=CC(Cl)=CN=C1 AN-584/42206185 [2,0,0,0,0,0|2,0,0]=4 31 B9R1.2 COC1=CC=NC(O)=C1 AC-907/34117039 [2,0,0,0,0,0|1,0,1]=4 32 B9R1.69 CC1=C(N)C=CC(Br)=C1 AE-562/43306593 [2,0,0,0,0,0|2,0,0]=4 33 B9R1.69 CC1=C(O)C=CC(Br)=C1 AN-329/40925146 [2,0,0,0,0,0|1,0,0]=3 34 B9R1.69 CC1=CC(I)=CC=C1N AE-641/01196008 [2,0,0,0,0,0|2,0,0]=4 35 B9R1.69 NC1=CC(Br)=C(O)C=C1 AN-584/43422701 [2,0,0,0,0,0|2,0,0]=4 36 B9R1.69 NC1=CC(O)=C(Br)C=C1 AN-584/43409802 [2,0,0,0,0,0|2,0,0]=4 37 B9R1.69 NC1=CC=C(Br)C=C1O AN-584/43422886 [2,0,0,0,0,0|2,0,0]=4 38 B9R1.69 OC1=CC(Br)=CC=C1Cl AO-801/41077424 [2,0,0,0,0,0|2,0,0]=4 39 B9R1.69 OC1=CC=C(Br)C=C1Br AN-329/40869004 [2,0,0,0,0,0|2,0,0]=4 40 B9R1.69 OC1=CC=C(Br)C=C1Cl AN-329/41610044 [2,0,0,0,0,0|2,0,0]=4 41 B9R1.1 O=CC1=CC=C(Br)C=C1 AB-131/40654019 [2,0,0,0,0,0|1,0,0]=3 42 B9R1.1 O=CC1=CC=C(O)C=C1 AB-131/40191192 [2,0,0,0,0,0|0,0,0]=2 43 B11R1.37 COC1=C(OC)C=C(N)C=C1 AC-907/25014217 [1,1,0,0,0,0|1,0,0]=3 44 B11R1.37 COC1=C(OC)C=C(O)C=C1 AE-508/42302277 [1,1,0,0,0,0|0,0,1]=3 45 B11R1.167 CC(=O)C1=C(O)C=CC(O)=C1 AE-641/00693054 [1,1,0,0,0,0|1,0,1]=4 46 B11R1.167 CC(=O)C1=CC(Br)=CC=C1O AE-641/03312016 [1,1,0,0,0,0|2,0,0]=4 47 B11R1.189 COC1=CC(CCN)=CC=C1 AE-562/40171055 [1,1,0,0,0,0|1,0,1]=4 48 B11R1.266 CNC1=CC([N+](=O)[O-])=CC=C1 AE-562/40529760 [1,1,0,0,0,0|2,0,0]=4 49 B11R1.266 COC1=CC=CC(C(=O)O)=C1 AE-562/40299919 [1,1,0,0,0,0|0,0,0]=2 50 B11R1.266 COC1=CN=CC(C(=O)O)=N1 AF-615/25002831 [1,1,0,0,0,0|2,0,0]=4 51 B11R1.266 COC1=NC=CC(C(=O)O)=C1 AN-584/43204258 [1,1,0,0,0,0|1,0,0]=3 52 B11R1.266 CSC1=CC=NC(C(=O)O)=C1 AJ-333/25022041 [1,1,0,0,0,0|1,1,0]=4 53 B11R1.266 N#CC1=CC(C(=O)O)=CC=C1 AE-562/43460675 [1,1,0,0,0,0|2,0,0]=4 54 B11R1.266 NC(=O)C1=CC=CC(CCl)=C1 AC-907/25014206 [1,1,0,0,0,0|2,0,0]=4 55 B11R1.266 NCC1=CC(C(=O)O)=CC=C1 AE-562/43286922 [1,1,0,0,0,0|2,0,0]=4 56 B11R1.266 O=C(O)C1=CC(CCl)=CC=C1 AC-907/25014203 [1,1,0,0,0,0|2,0,0]=4 57 B11R1.266 O=CC1=CC(C(=O)O)=CC=C1 AE-562/40256786 [1,1,0,0,0,0|2,0,0]=4 58 B11R1.266 O=CC1=CC=CC(B(O)O)=C1 AF-399/25108027 [1,1,0,0,0,0|2,0,0]=4 59 B11R1.266 O=CC1=CC=CC([N+](=O)[O-])=C1 AP-065/40233249 [1,1,0,0,0,0|2,0,0]=4 60 B11R1.14 NC1=C(Br)C=C(C=O)C=C1Br AC-907/25004615 [1,1,0,0,0,0|2,0,0]=4 61 B11R1.14 NC1=C(Cl)C=C(C=O)C=C1Cl AT-051/43421154 [1,1,0,0,0,0|2,0,0]=4 62 B11R1.14 O=CC1=CC(Br)=C(O)C(Br)=C1 AG-205/06024052 [1,1,0,0,0,0|1,0,0]=3 63 B11R1.14 O=CC1=CC(Cl)=C(O)C(Cl)=C1 AH-487/13096001 [1,1,0,0,0,0|1,0,0]=3 64 B11R1.21 CC(=O)C1=CC=C(O)C(C)=C1 AO-800/41069724 [1,1,0,0,0,0|0,0,0]=2 65 B11R1.21 CC(=O)C1=CC=C(O)C(F)=C1 AN-651/43112602 [1,1,0,0,0,0|1,0,0]=3 66 B11R1.21 CC(=O)C1=CC=C(O)C(O)=C1 AE-641/00345018 [1,1,0,0,0,0|0,0,0]=2 67 B11R1.21 CC1=C(C)C=C(C(=O)O)C=C1 AE-562/40207816 [1,1,0,0,0,0|1,0,0]=3 68 B11R1.21 CC1=C(N)C=CC(C(=O)O)=C1 AB-131/40897188 [1,1,0,0,0,0|1,0,0]=3 69 B11R1.21 CC1=C(N)C=CC([N+](=O)[O-])=C1 AE-641/01960001 [1,1,0,0,0,0|2,0,0]=4 70 B11R1.21 CC1=CC(C(=O)O)=CC=C1Cl AE-562/43459897 [1,1,0,0,0,0|1,0,0]=3 71 B11R1.21 CC1=CC([N+](=O)[O-])=CC=C1Br AN-584/43447528 [1,1,0,0,0,0|2,0,0]=4 72 B11R1.21 CC1=CC([N+](=O)[O-])=CC=C1Cl AE-562/40182212 [1,1,0,0,0,0|2,0,0]=4 73 B11R1.21 CC1=CC=C(C(=O)O)C=C1I AN-970/40920439 [1,1,0,0,0,0|2,0,0]=4 74 B11R1.21 CN1C=C(C(=O)O)C=CC1=O AC-907/34118031 [1,1,0,0,0,0|1,0,1]=4 75 B11R1.21 CN1C=C(C(=O)O)C=CC1=S AJ-333/25022081 [1,1,0,0,0,0|1,1,0]=4 76 B11R1.21 C[N+]1=CC(C(=O)[O-])=CC=C1S AJ-333/25022083 [1,1,0,0,0,0|1,1,0]=4 77 B11R1.21 NC1=CC(C(=O)O)=CC=C1O AN-584/40209222 [1,1,0,0,0,0|1,0,0]=3 78 B11R1.21 NC1=CC=C(C(=O)O)C=C1Br AE-562/43286928 [1,1,0,0,0,0|2,0,0]=4 79 B11R1.21 O=C(O)C1=CC(=O)C(O)=CO1 AO-801/41077391 [1,1,0,0,0,0|1,0,1]=4 80 B11R1.21 O=C(O)C1=CC(F)=C(F)C=C1 AN-652/40227387 [1,1,0,0,0,0|2,0,0]=4 81 B11R1.21 O=C(O)C1=CC(O)=C(O)C=N1 AC-907/30003018 [1,1,0,0,0,0|1,0,0]=3 82 B11R1.21 O=C(O)C1=CC=C(Cl)C(Cl)=C1 AE-562/43459830 [1,1,0,0,0,0|2,0,0]=4 83 B11R1.21 O=C(O)C1=CC=C(O)C(Br)=C1 AE-562/05574007 [1,1,0,0,0,0|1,0,0]=3 84 B11R1.21 O=C(O)C1=CC=C(O)C(Br)=N1 AR-011/43409547 [1,1,0,0,0,0|2,0,0]=4 85 B11R1.21 O=C(O)C1=CC=C(O)C(O)=C1 AE-562/40524392 [1,1,0,0,0,0|0,0,0]=2 86 B11R1.21 O=[N+]([O-])C1=CC(Br)=C(O)C=C1 AE-641/02482063 [1,1,0,0,0,0|2,0,0]=4 87 B11R1.21 O=[N+]([O-])C1=CC=C(Br)C(O)=C1 AE-641/02443044 [1,1,0,0,0,0|2,0,0]=4 88 B11R1.21 O=[N+]([O-])C1=CC=C(Cl)C(O)=C1 AG-205/25011002 [1,1,0,0,0,0|2,0,0]=4 89 B11R1.21 O=[N+]([O-])C1=CC=C(O)C(Cl)=C1 AH-034/32465052 [1,1,0,0,0,0|2,0,0]=4 90 B11R1.21 O=[N+]([O-])C1=CC=C(O)C(O)=C1 AE-562/40223471 [1,1,0,0,0,0|1,0,0]=3 91 B11R1.192 CCNC1=CC=C(O)C(O)=C1 AN-308/25123001 [1,1,0,0,0,0|1,0,1]=4 92 B11R1.279 CNC1=C(Br)C=C(C=O)C=C1 AT-051/43421254 [1,1,0,0,0,0|2,0,0]=4 93 B11R1.279 CNC1=C(Cl)C=C(C=O)C=C1 AT-051/43421150 [1,1,0,0,0,0|2,0,0]=4 94 B11R1.279 CNC1=C(I)C=C(C=O)C=C1 AT-051/43421255 [1,1,0,0,0,0|2,0,0]=4 95 B13R1.50 COC1=CC(S(=O)(=O)[O-])=CC=C1O AE-562/43458390 [0,2,0,0,0,0|1,0,0]=3 96 B13R1.298 COC1=CC([N+](=O)[O-])=CC(Br)=C1N AQ-776/42801080 [0,2,0,0,0,0|2,0,0]=4 97 B13R1.354 C=CCC1=C(O)C=CC(C(C)=O)=C1 AK-087/42718134 [0,2,0,0,0,0|1,0,1]=4 98 B13R1.354 CCOC1=CC([N+](=O)[O-])=CC=C1N AE-562/43459388 [0,2,0,0,0,0|2,0,0]=4 99 B13R1.3091 CNC1=CC=C([N+](=O)[O-])C=C1OC AE-641/05530013 [0,2,0,0,0,0|2,0,0]=4 100 B13R1.3091 COC1=C(OC)C=C(C(C)=O)C=C1 AQ-917/40710349 [0,2,0,0,0,0|0,0,0]=2 101 B13R1.355 COC1=CC=C(C=O)C=C1OCCl AG-690/15428473 [0,2,0,0,0,0|0,0,0]=2 102 B13R1.1249 CCOC1=CC=C(C=O)C=C1OC AG-205/01773011 [0,2,0,0,0,0|0,0,0]=2 103 B13R1.2200 COC1=C(OC)C=C(C#N)C(F)=C1 AN-584/41273662 [0,2,0,0,0,0|1,0,1]=4 104 B13R1.2200 COC1=C(OC)C=C(C#N)C(N)=C1 AQ-358/42003062 [0,2,0,0,0,0|1,0,1]=4 105 B13R1.2200 COC1=C(OC)C=C(C=O)C(C)=C1 AP-065/41884115 [0,2,0,0,0,0|0,0,0]=2 106 B13R1.2200 COC1=CC(Br)=C(C=O)C=C1OC AE-641/00770022 [0,2,0,0,0,0|0,0,0]=2 107 B13R1.433 COC1=CC(C=O)=CC(C=O)=C1O AE-848/30539051 [0,2,0,0,0,0|0,0,0]=2 108 B13R1.433 COC1=CC(C=O)=CC(OC)=C1O AP-065/41884112 [0,2,0,0,0,0|0,0,0]=2 109 B11R1.44 COC(=O)C1=CC=C(C=O)S1 AI-942/25034375 [0,0,1,1,0,0|1,1,0]=4 110 B13R2.430 CC(=O)C1=CC2=C(C=C1)OCO2 AE-508/40226031 [0,1,0,1,0,0|0,0,0]=2 111 B13R2.430 O=C(O)C1=CC2=C(C=C1)CCC2 AE-562/43286929 [0,1,0,1,0,0|2,0,0]=4 112 B13R2.430 O=C(O)C1=CC2=C(C=C1)OCO2 AE-562/40258182 [0,1,0,1,0,0|0,0,0]=2 113 B13R2.430 O=C([O-])C1=CC2=C(C=C1)OCO2 AE-562/43459564 [0,1,0,1,0,0|0,0,0]=2 114 B13R2.57 O=CC1=CC2=C(C=C1)OCCO2 AR-360/40172602 [0,1,0,1,0,0|0,0,0]=2 115 B13R2.599 O=CC1=C(Br)C=C2OCOC2=C1 AE-641/00346054 [0,1,0,1,0,0|0,0,0]=2 116 B9R1.14 COC1=C(C=O)SC=C1 AI-942/42301781 [1,0,0,0,1,0|1,0,0]=3 117 B9R1.23 CC1=C(Br)C=C(C=O)S1 AN-584/11663464 [1,0,0,0,1,0|2,0,0]=4