0 B11R1.12 N#CC(C=O)C1=CC=CC=C1 AE-842/30100042 [0,0,0,0,0,0|1,0,2]=3 1 B11R1.12 O=CC(C=O)C1=CC=NN=C1 AE-420/30070059 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.15 CNC(=O)C1=CC=CC=C1 AP-065/40250235 [1,0,0,0,0,0|1,0,0]=2 3 B10R1.15 COC(=O)C1=CC=NC=N1 AC-907/25004532 [1,0,0,0,0,0|3,0,0]=4 4 B10R1.15 COC(=O)C1=CN=CC=C1 AC-907/25014170 [1,0,0,0,0,0|2,0,0]=3 5 B10R1.15 COC(=O)C1=CN=CC=N1 AN-652/40184635 [1,0,0,0,0,0|3,0,0]=4 6 B10R1.15 COC(=O)C1=CN=CN=C1 AN-584/41341491 [1,0,0,0,0,0|3,0,0]=4 7 B10R1.15 COC(=O)C1=NC=CC=N1 AI-942/25121077 [1,0,0,0,0,0|3,0,0]=4 8 B10R1.15 O=C(CBr)C1=CC=CC=C1 AC-907/25014200 [1,0,0,0,0,0|1,0,1]=3 9 B10R1.15 O=C(CBr)C1=CC=CC=N1 AM-866/25016009 [1,0,0,0,0,0|2,0,1]=4 10 B12R2.1 CC[N+]1=CSC2=C1C=CC=C2 AE-641/01658056 [0,0,0,1,0,0|1,1,1]=4 11 B12R2.1 O=CC1=CNC2=C1C=CC=C2 AG-205/01412034 [0,0,0,1,0,0|1,0,0]=2 12 B12R2.2 C1=CC=C(C2=CC=CN2)C=C1 AI-942/25034739 [0,0,0,1,0,0|2,0,1]=4 13 B12R2.2 C1=CC=C(C2=CNC=N2)C=C1 AC-907/25014360 [0,0,0,1,0,0|2,0,1]=4 14 B12R2.2 C1=CC=C(C2=CSC=C2)C=C1 AI-942/25034734 [0,0,0,1,0,0|0,1,1]=3 15 B9R1.6 CC(=O)C1=CN=CC=C1 AE-641/00369001 [2,0,0,0,0,0|1,0,0]=3 16 B9R1.6 N=C(N)C1=CC=CC=C1 AE-641/30119009 [2,0,0,0,0,0|2,0,0]=4 17 B9R1.6 NC(=O)C1=CN=CC=C1 AC-907/25014114 [2,0,0,0,0,0|2,0,0]=4 18 B9R1.6 NC(=S)C1=CC=CC=C1 AO-840/40187641 [2,0,0,0,0,0|1,1,0]=4 19 B9R1.6 O=C(O)C1=CC=NC=C1 AC-907/25014347 [2,0,0,0,0,0|2,0,0]=4 20 B9R1.6 O=C(O)C1=CN=CC=C1 AC-907/25014105 [2,0,0,0,0,0|2,0,0]=4 21 B9R1.6 O=C([O-])C1=CN=CC=C1 AC-907/25004509 [2,0,0,0,0,0|2,0,0]=4 22 B9R1.8 O=CNC1=CC=CC=C1 AR-360/40233696 [2,0,0,0,0,0|1,0,0]=3 23 B11R1.16 N#CCC(=O)C1=CC=CC=C1 AC-907/25014239 [1,1,0,0,0,0|0,0,2]=4 24 B11R1.16 N#C\C=C(/N)C1=CC=CC=C1 AE-641/00340010 [1,1,0,0,0,0|1,0,1]=4 25 B11R1.16 NCCC(=O)C1=CC=CC=C1 AQ-917/42754038 [1,1,0,0,0,0|0,0,1]=3 26 B11R1.16 O=C(SCO)C1=CC=CC=C1 AG-826/25038008 [1,1,0,0,0,0|1,0,0]=3 27 B11R1.22 CCC(=O)C1=CC=C(Br)C=C1 AH-034/32461042 [1,1,0,0,0,0|0,0,1]=3 28 B11R1.22 CCC(=O)C1=CC=C(N)C=C1 AE-641/00195035 [1,1,0,0,0,0|0,0,1]=3 29 B11R1.22 CCC(=O)C1=CC=C(O)C=C1 AF-676/00077028 [1,1,0,0,0,0|0,0,1]=3 30 B11R1.22 COC(=O)C1=CC=C(C)C=C1 AB-131/40218986 [1,1,0,0,0,0|1,0,0]=3 31 B11R1.22 COC(=O)C1=CC=C(N)C=C1 AE-848/32195053 [1,1,0,0,0,0|1,0,0]=3 32 B11R1.22 COC(=O)C1=CC=C(N)N=C1 AQ-776/42801236 [1,1,0,0,0,0|2,0,0]=4 33 B11R1.22 COC(=O)C1=CC=[N+](C)C=C1 AE-848/00864037 [1,1,0,0,0,0|2,0,0]=4 34 B11R1.22 COC(=O)C1=COC(=O)C=C1 AE-508/40248460 [1,1,0,0,0,0|2,0,0]=4 35 B11R1.22 C\C(=N/O)C1=CC=C(N)C=C1 AN-308/25123012 [1,1,0,0,0,0|1,0,1]=4 36 B11R1.22 NCC(=O)C1=CC=C(Br)C=C1 AE-848/00959051 [1,1,0,0,0,0|1,0,1]=4 37 B11R1.22 NNC(=O)C1=CC=C(Br)C=C1 AE-641/01150029 [1,1,0,0,0,0|2,0,0]=4 38 B11R1.22 O=C(CBr)C1=CC=C(I)C=C1 AN-584/40260804 [1,1,0,0,0,0|1,0,1]=4 39 B11R1.23 COC(=O)C1=CC(N)=CC=C1 AE-562/40241907 [1,1,0,0,0,0|1,0,0]=3 40 B11R1.23 COC(=O)C1=CC=CC(O)=C1 AE-562/40228867 [1,1,0,0,0,0|1,0,0]=3 41 B11R1.23 COC(=O)C1=CC=C[N+](C)=C1 AE-641/00189053 [1,1,0,0,0,0|2,0,0]=4 42 B11R1.23 COC(=O)C1=CC=NC(N)=C1 AQ-776/42801237 [1,1,0,0,0,0|2,0,0]=4 43 B11R1.23 COC(=O)C1=C[N+]([O-])=CC=C1 AJ-333/25006108 [1,1,0,0,0,0|2,0,0]=4 44 B11R1.23 COC(=O)C1=NC=CC(Cl)=C1 AQ-405/42300546 [1,1,0,0,0,0|2,0,0]=4 45 B11R1.23 NNC(=O)C1=CC(Cl)=CC=C1 AN-068/40169986 [1,1,0,0,0,0|2,0,0]=4 46 B11R1.23 NNC(=O)C1=CC=CC(Br)=C1 AG-205/01792011 [1,1,0,0,0,0|2,0,0]=4 47 B11R1.23 NNC(=O)C1=CC=CC(I)=C1 AE-641/02329020 [1,1,0,0,0,0|2,0,0]=4 48 B11R1.23 NNC(=O)C1=CC=CC(O)=C1 AE-641/02473023 [1,1,0,0,0,0|2,0,0]=4 49 B11R1.36 CC(=O)N(C)C1=CC=CC=C1 AD-266/40232951 [1,1,0,0,0,0|1,0,0]=3 50 B11R1.36 NC(=O)C(N)C1=CC=CC=C1 AC-907/25014212 [1,1,0,0,0,0|1,0,1]=4 51 B11R1.36 NC(=O)C(O)C1=CC=CC=C1 AI-942/25034561 [1,1,0,0,0,0|1,0,1]=4 52 B11R1.36 O=C(O)C(=O)C1=CC=CC=C1 AH-034/32845038 [1,1,0,0,0,0|1,0,0]=3 53 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 AE-562/40233036 [1,1,0,0,0,0|1,0,1]=4 54 B11R1.222 CNC(=O)C1=C(C)C=CC=C1 AP-065/40324499 [1,1,0,0,0,0|1,0,0]=3 55 B11R1.222 CNC(=O)C1=CC=CC=C1N AQ-360/40271990 [1,1,0,0,0,0|1,0,0]=3 56 B11R1.222 COC(=O)C1=C(I)C=CC=N1 AJ-333/25022047 [1,1,0,0,0,0|2,0,0]=4 57 B11R1.222 COC(=O)C1=C(O)C=CC=N1 AJ-333/25006091 [1,1,0,0,0,0|2,0,0]=4 58 B11R1.222 COC(=O)C1=C(S)N=CC=C1 AJ-333/25022067 [1,1,0,0,0,0|2,0,0]=4 59 B11R1.222 COC(=O)C1=CC=CN=C1Cl AN-584/42206200 [1,1,0,0,0,0|2,0,0]=4 60 B11R1.222 COC(=O)C1=CC=CNC1=O AJ-333/25006055 [1,1,0,0,0,0|2,0,0]=4 61 B11R1.222 C\C(=N\O)C1=C(Br)C=CC=C1 AG-777/25006432 [1,1,0,0,0,0|1,0,1]=4 62 B11R1.222 NNC(=O)C1=C(Cl)C=CC=C1 AE-842/31980017 [1,1,0,0,0,0|2,0,0]=4 63 B11R1.222 NNC(=O)C1=CC=CC=C1N AC-907/25014182 [1,1,0,0,0,0|2,0,0]=4 64 B13R1.418 N#C\C(=C/C1=CC=CC=C1)C(=O)O AF-213/30142035 [0,1,0,0,0,1|1,0,1]=4 65 B13R1.713 O=CN(CC(=O)O)C1=CC=CC=C1 AQ-917/42754052 [0,2,0,0,0,0|2,0,0]=4 66 B11R2.1 CC1=CNC2=C1C=CC=C2 AP-065/40182778 [1,0,0,1,0,0|1,0,0]=3 67 B11R2.1 O=C1NSC2=C1C=CC=C2 AE-562/40151878 [1,0,0,1,0,0|2,0,0]=4 68 B11R2.1 O=C1OCC2=C1C=CC=C2 AE-641/30105043 [1,0,0,1,0,0|1,0,0]=3 69 B11R2.1 O=C1SCC2=CC=CC=C12 AE-641/25069001 [1,0,0,1,0,0|1,0,0]=3 70 B13R2.45 O=C1C2=C(C=CC=C2)C\C1=N\O AE-508/36398054 [0,0,0,1,0,1|2,0,0]=4 71 B13R2.45 O=CC1=C(Cl)C2=C(C=CC=C2)S1 AE-848/32008024 [0,0,0,1,0,1|1,0,0]=3 72 B13R2.45 O=CC1=C(Cl)N2C=CC=CC2=N1 AO-638/15166001 [0,0,0,1,0,1|2,0,0]=4 73 B13R2.57 COC1=CC=C2C=CC=CC2=C1 AF-676/00077048 [0,0,0,1,0,1|2,0,0]=4 74 B13R2.57 CSC1=CC2=CC=CC=C2C=C1 AB-131/42000802 [0,0,0,1,0,1|2,0,0]=4 75 B13R2.1 NCCC1=CNC2=CC=CC=C12 AE-848/30735051 [0,1,0,1,0,0|1,0,1]=4 76 B13R2.3 C1=CC=C(C2=CC=NC=N2)C=C1 AC-907/25014265 [0,1,0,1,0,0|1,0,1]=4 77 B13R2.10 CC1=CNC(C2=CC=CC=C2)=N1 AC-907/25014273 [0,1,0,1,0,0|2,0,0]=4 78 B13R2.10 CC1=NC(C2=CC=CC=C2)=CS1 AE-848/01007019 [0,1,0,1,0,0|0,1,0]=3 79 B13R2.10 FC1=CC=C(C2=CC=CC=C2)S1 AI-942/13331308 [0,1,0,1,0,0|1,0,1]=4 80 B13R2.10 NC1=NC(C2=CC=CC=C2)=CS1 AA-516/30011003 [0,1,0,1,0,0|1,1,0]=4 81 B13R2.15 CC1=C(C2=CC=CC=C2)N=CN1 AB-337/13036171 [0,1,0,1,0,0|1,0,0]=3 82 B13R2.1613 CNC1=CN=NC2=C1C=CC=C2 AK-830/40406127 [0,1,0,1,0,0|2,0,0]=4 83 B13R2.2931 COC1OC(=O)C2=C1C=CC=C2 AI-942/25034663 [0,1,0,1,0,0|1,0,1]=4 84 B13R2.662 O=CC1=NNC2=CC(F)=CC=C21 AS-710/43364249 [0,1,0,1,0,0|2,0,0]=4 85 B13R2.135 O=C1NC2=C(C=CC=C2)\C1=N/O AE-641/30401031 [0,1,0,1,0,0|2,0,0]=4 86 B13R2.135 O=CC1=C(Cl)NC2=C1C=CC=C2 AH-034/32861025 [0,1,0,1,0,0|1,0,0]=3 87 B13R2.135 O=CC1C(=O)NC2=C1C=CC=C2 AG-670/33307008 [0,1,0,1,0,0|1,0,1]=4 88 B13R2.72 CC(=O)C1=CNC2=C1C=CC=C2 AN-068/40177744 [0,1,0,1,0,0|1,0,0]=3 89 B9R1.11 CNC(=O)C1=CC=CO1 AK-830/25033016 [1,0,0,0,1,0|2,0,0]=4 90 B9R1.11 CNC(=O)C1=CC=CS1 AK-830/25033017 [1,0,0,0,1,0|2,0,0]=4 91 B9R1.11 CNC(=O)C1=CSC=C1 AK-830/25033018 [1,0,0,0,1,0|2,0,0]=4 92 B11R1.40 C=CC(=O)NC1=CC=CC=C1 AQ-917/42754051 [1,0,0,0,0,1|0,0,1]=3 93 B11R1.40 COC(=O)NC1=CC=NC=C1 AN-584/40385585 [1,0,0,0,0,1|2,0,0]=4 94 B11R1.40 C\C(=N\O)NC1=CC=CC=C1 AC-907/34120003 [1,0,0,0,0,1|1,0,1]=4 95 B11R1.40 NNC(=O)CC1=CC=CC=C1 AN-068/40177140 [1,0,0,0,0,1|2,0,0]=4 96 B11R1.40 O=C(CC1=CC=CC=C1)NO AD-266/40386900 [1,0,0,0,0,1|2,0,0]=4