0 B12R1.27 COC(=O)CSC1=CC=CC=C1 AT-419/41782453 [0,0,0,0,0,0|1,0,1]=2 1 B12R1.27 NNC(=O)\C=C\C1=CC=CN=C1 AO-289/42804217 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.91 O=C(O)C#CC1=CC=CC=C1 AD-266/40164861 [1,0,0,0,0,0|0,0,2]=3 3 B11R1.91 O=C(O)COC1=CC=CC=C1 AC-907/25014208 [1,0,0,0,0,0|1,0,1]=3 4 B11R1.91 O=C(O)COC1=CC=CC=N1 AC-907/34118029 [1,0,0,0,0,0|2,0,1]=4 5 B11R1.91 O=C(O)CSC1=CC=CC=C1 AN-651/40187870 [1,0,0,0,0,0|1,0,1]=3 6 B11R1.91 O=C(O)CSC1=CC=CC=N1 AE-641/00692009 [1,0,0,0,0,0|2,0,1]=4 7 B11R1.91 O=C(O)\C=C\C1=CC=NC=C1 AA-516/30131001 [1,0,0,0,0,0|1,0,0]=2 8 B11R1.91 O=[N+]([O-])\C=C\C1=CC=CC=C1 AF-961/00496050 [1,0,0,0,0,0|1,0,1]=3 9 B13R1.14 COC(=O)C#CC1=CC=C(Cl)C=C1 AE-562/12222058 [0,1,0,0,0,0|0,0,2]=3 10 B13R1.14 COC(=O)\C=C\C1=CC=C(Br)C=C1 AB-131/40027014 [0,1,0,0,0,0|0,0,0]=1 11 B13R1.14 COC(=O)\C=C\C1=CC=C(C)C=C1 AG-205/06379040 [0,1,0,0,0,0|0,0,0]=1 12 B13R1.14 COC(=O)\C=C\C1=CC=C(O)C=C1 AG-690/03019022 [0,1,0,0,0,0|0,0,0]=1 13 B13R1.14 NNC(=O)\C=C\C1=CC=C(O)C=C1 AO-289/42804179 [0,1,0,0,0,0|2,0,0]=3 14 B13R1.42 CCOC(=O)\C=N\C1=CC=CC=C1 AB-321/43115237 [0,1,0,0,0,0|1,0,0]=2 15 B13R1.135 COC(=O)C(N)CC1=CC=CC=C1 AE-641/02458037 [0,1,0,0,0,0|0,0,2]=3 16 B13R1.351 CN(C)C(=O)\C=C\C1=CC=CC=C1 AE-641/00363013 [0,1,0,0,0,0|1,0,0]=2 17 B13R1.528 COC(=O)C#CC1=C(Cl)C=CC=C1 AE-562/12222054 [0,1,0,0,0,0|0,0,2]=3 18 B13R2.10 NC1=CC(C2=CC=CC=C2)=NO1 AI-031/31962041 [0,0,0,1,0,0|2,0,0]=3 19 B13R2.10 O=C1C=C(C2=CC=CC=N2)CS1 AI-942/42302134 [0,0,0,1,0,0|1,1,0]=3 20 B13R2.10 O=C1C=[N+](C2=CC=CC=C2)[N-]O1 AB-131/25126030 [0,0,0,1,0,0|2,0,0]=3 21 B13R2.10 OC1=NNC(C2=CC=CC=C2)=C1 AE-842/00015039 [0,0,0,1,0,0|2,0,1]=4 22 B13R2.32 CC1=C(C)C2=CC=CN=C2C=C1 AO-801/41077378 [0,0,0,1,0,0|3,0,0]=4 23 B13R2.32 CN1C(=N)C=CC2=C1C=CC=C2 AC-907/34123035 [0,0,0,1,0,0|2,0,0]=3 24 B13R2.32 CN1C(=O)C=CC2=C1C=CC=C2 AO-840/40233519 [0,0,0,1,0,0|1,0,0]=2 25 B13R2.32 CN1C(=O)C=NC2=C1C=CC=C2 AK-830/25033058 [0,0,0,1,0,0|2,0,0]=3 26 B13R2.32 C[N+]1=C2C=CC=CC2=CC=C1N AC-907/25005040 [0,0,0,1,0,0|2,0,0]=3 27 B13R2.32 OC1=C(Br)C2=C(C=CC=C2)C=C1 AE-641/30106059 [0,0,0,1,0,0|2,0,1]=4 28 B13R2.57 BrCC1=CC=C2C=CC=CC2=C1 AB-131/40897099 [0,0,0,1,0,0|3,0,0]=4 29 B13R2.57 COC1=CC=C2C=CC=CC2=C1 AF-676/00077048 [0,0,0,1,0,0|1,0,0]=2 30 B13R2.57 CSC1=CC2=CC=CC=C2C=C1 AB-131/42000802 [0,0,0,1,0,0|1,1,0]=3 31 B13R2.57 N#CC1=CC2=C(C=CC=C2)C=C1 AH-034/11364159 [0,0,0,1,0,0|3,0,0]=4 32 B11R1.25 COC(=O)\C=C\C1=CC=CS1 AE-562/40245922 [0,0,0,0,1,0|1,0,0]=2 33 B11R1.40 C=CC(=O)NC1=CC=CC=C1 AQ-917/42754051 [0,0,0,0,1,0|2,0,1]=4 34 B11R1.40 COC(=O)NC1=CC=NC=C1 AN-584/40385585 [0,0,0,0,1,0|2,0,0]=3 35 B11R1.40 NNC(=O)CC1=CC=CC=C1 AN-068/40177140 [0,0,0,0,1,0|2,0,1]=4 36 B11R1.40 O=C(CC1=CC=CC=C1)NO AD-266/40386900 [0,0,0,0,1,0|2,0,1]=4 37 B13R1.718 COC(=O)CCNC1=NC=CC=C1 AF-399/25108061 [0,0,0,0,0,1|1,0,2]=4 38 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 AE-473/30684056 [1,1,0,0,0,0|0,0,2]=4 39 B12R1.21 CC(=O)CSC1=CC=C(Br)C=C1 AA-516/30035027 [1,1,0,0,0,0|1,0,1]=4 40 B12R1.21 CC(=O)\C=C\C1=CC=C(Cl)C=C1 AJ-333/25022107 [1,1,0,0,0,0|0,0,0]=2 41 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 AE-641/00135025 [1,1,0,0,0,0|0,0,0]=2 42 B12R1.21 CS(=O)\C=C/C1=CC=C(Cl)C=C1 AK-823/11520888 [1,1,0,0,0,0|1,0,0]=3 43 B12R1.21 O=C(O)C#CC1=CC=C(Br)C=C1 AE-562/12222063 [1,1,0,0,0,0|0,0,2]=4 44 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 AE-641/00345037 [1,1,0,0,0,0|0,0,2]=4 45 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 AQ-358/40179730 [1,1,0,0,0,0|0,0,2]=4 46 B12R1.21 O=C(O)COC1=CC=C(I)C=C1 AG-690/13155018 [1,1,0,0,0,0|1,0,1]=4 47 B12R1.21 O=C(O)CSC1=CC=C(Cl)C=C1 AA-516/30012060 [1,1,0,0,0,0|1,0,1]=4 48 B12R1.21 O=C(O)CSC1=CC=C(F)C=C1 AE-848/30864049 [1,1,0,0,0,0|1,0,1]=4 49 B12R1.21 O=C(O)\C=C\C1=CC=C(Cl)C=C1 AE-641/01605057 [1,1,0,0,0,0|0,0,0]=2 50 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 AE-562/40414679 [1,1,0,0,0,0|0,0,0]=2 51 B12R1.43 CC(NC1=CC=CC=C1)C(=O)O AE-477/25037028 [1,1,0,0,0,0|1,0,1]=4 52 B12R1.43 CC(OC1=CC=CC=C1)C(=O)O AN-651/40401218 [1,1,0,0,0,0|1,0,1]=4 53 B12R1.43 C\C(=C/C1=CC=CC=C1)C(=O)O AE-562/42007298 [1,1,0,0,0,0|0,0,0]=2 54 B12R1.107 CC(=O)\C=C(/O)C1=CC=CC=N1 AR-527/40214440 [1,1,0,0,0,0|1,0,0]=3 55 B12R1.107 C\C(=C/C(=O)O)C1=CC=CC=C1 AE-641/00378058 [1,1,0,0,0,0|0,0,0]=2 56 B12R1.125 CC(=O)\C=C\C1=C(O)C=CC=C1 AO-840/40184794 [1,1,0,0,0,0|0,0,0]=2 57 B12R1.125 CC1=CC=CC=C1CCC(=O)O AE-562/43460471 [1,1,0,0,0,0|0,0,2]=4 58 B12R1.125 CC1=CC=CC=C1NCC(=O)O AE-562/33905058 [1,1,0,0,0,0|1,0,1]=4 59 B12R1.125 CC1=CC=CC=C1OCC(=O)O AC-907/25014252 [1,1,0,0,0,0|1,0,1]=4 60 B12R1.125 CC1=CC=CC=C1\C=C\C(=O)O AI-942/25034752 [1,1,0,0,0,0|0,0,0]=2 61 B12R1.125 O=C(O)CCC1=CC=CC=C1Cl AJ-087/41885657 [1,1,0,0,0,0|0,0,2]=4 62 B12R1.125 O=C(O)COC1=C(Cl)C=CC=C1 AF-615/00098053 [1,1,0,0,0,0|1,0,1]=4 63 B12R1.125 O=C(O)\C=C/C1=CC=CC=C1Cl AE-641/01171033 [1,1,0,0,0,0|0,0,0]=2 64 B12R1.226 CC(=O)\C=C\C1=CC(O)=CC=C1 AE-562/43459153 [1,1,0,0,0,0|0,0,0]=2 65 B12R1.226 CC1=CC(\C=C\C(=O)O)=CC=C1 AE-641/00365055 [1,1,0,0,0,0|0,0,0]=2 66 B12R1.226 NC1=CC(CCC(=O)O)=CC=C1 AE-562/43460511 [1,1,0,0,0,0|0,0,2]=4 67 B12R1.226 NC1=CC(\C=C\C(=O)O)=CC=C1 AF-962/00508057 [1,1,0,0,0,0|0,0,0]=2 68 B12R1.226 O=C(O)CCC1=CC=CC(Br)=C1 AE-562/43460517 [1,1,0,0,0,0|0,0,2]=4 69 B12R1.226 O=C(O)CCC1=CC=CC(Cl)=C1 AJ-087/41885649 [1,1,0,0,0,0|0,0,2]=4 70 B12R1.226 O=C(O)CCC1=CC=CC(I)=C1 AE-641/00196031 [1,1,0,0,0,0|0,0,2]=4 71 B12R1.226 O=C(O)CCC1=CC=CC(O)=C1 AN-651/40987637 [1,1,0,0,0,0|0,0,2]=4 72 B12R1.226 O=C(O)COC1=CC=CC(Br)=C1 AG-205/06752035 [1,1,0,0,0,0|1,0,1]=4 73 B12R1.226 O=C(O)\C=C\C1=CC(Cl)=CC=C1 AE-562/40896974 [1,1,0,0,0,0|0,0,0]=2 74 B12R1.226 O=C(O)\C=C\C1=CC=CC(Br)=C1 AE-641/00365058 [1,1,0,0,0,0|0,0,0]=2 75 B12R1.34 CCC(=O)N(C)C1=CC=CC=C1 AI-942/40229839 [0,1,0,0,1,0|2,0,0]=4 76 B12R1.50 CNC(=O)OC1=CC=CC(Cl)=C1 AL-398/40365468 [0,1,0,0,1,0|2,0,0]=4 77 B12R1.371 COC(=O)NC1=C(O)C=CC=C1 AJ-087/25124002 [0,1,0,0,1,0|1,0,0]=3 78 B14R1.163 COC(=O)CNC(=S)C1=CC=CC=C1 AL-398/40365441 [0,1,0,0,0,1|0,0,1]=3 79 B14R1.5 COC(=O)\C=C\C1=CC=C(OC)C=C1 AE-641/05563005 [0,2,0,0,0,0|0,0,0]=2 80 B14R1.134 CNC(=O)C(=O)NC1=CC=C(Cl)C=C1 AG-690/09157017 [0,2,0,0,0,0|2,0,0]=4 81 B14R1.19598 COC(=O)\C=C\C1=C(F)C=CC=C1F AT-419/43492648 [0,2,0,0,0,0|0,0,0]=2 82 B12R1.77 COC(=O)C1=C(OC)C=CC=C1 AE-562/40238261 [0,0,1,1,0,0|1,0,1]=4 83 B12R1.354 COC(=O)C1=C(N)C=CC(O)=C1 AN-584/43164258 [0,0,1,1,0,0|2,0,0]=4 84 B12R1.354 COC(=O)C1=C(O)C=CC(Cl)=C1 AN-652/43414006 [0,0,1,1,0,0|2,0,0]=4 85 B12R1.354 COC(=O)C1=C(O)C=CC(N)=C1 AB-131/42300689 [0,0,1,1,0,0|2,0,0]=4 86 B12R1.354 COC(=O)C1=CC(Br)=CC=C1O AG-205/05818032 [0,0,1,1,0,0|2,0,0]=4 87 B12R2.2 C1=CC=C(C2=CC=CN2)C=C1 AI-942/25034739 [1,0,0,1,0,0|2,0,0]=4 88 B12R2.2 C1=CC=C(C2=CSC=C2)C=C1 AI-942/25034734 [1,0,0,1,0,0|0,1,1]=4 89 B12R2.1081 CC1=CC=CC2=CC=CN=C12 AC-907/25014270 [1,0,0,1,0,0|2,0,0]=4 90 B12R2.1081 OC1=CC=CC2=C1C=CC=C2 AB-131/40232333 [1,0,0,1,0,0|2,0,0]=4 91 B12R2.1081 [O-][N+]1=C2C=CC=CC2=CC=C1 AC-907/25005594 [1,0,0,1,0,0|2,0,0]=4 92 B12R2.24 BrC1=CC=C2C=CC=CC2=N1 AC-907/25004859 [1,0,0,1,0,0|2,0,0]=4 93 B12R2.24 CC1=CC2=CC=CN=C2C=C1 AC-907/25014269 [1,0,0,1,0,0|2,0,0]=4 94 B12R2.24 ClC1=NC2=C(C=CC=C2)C=C1 AH-034/32825008 [1,0,0,1,0,0|2,0,0]=4 95 B12R2.24 NC1=CC=C2C=CC=CC2=N1 AC-907/25014242 [1,0,0,1,0,0|2,0,0]=4 96 B12R2.24 O=C1C=CC2=C(C=CC=C2)N1 AC-907/25014359 [1,0,0,1,0,0|1,0,0]=3 97 B12R2.24 O=C1C=CN2C=CC=CC2=C1 AC-907/25004896 [1,0,0,1,0,0|1,0,1]=4 98 B12R2.24 OC1=CC2=C(C=CC=C2)C=C1 AB-131/40299865 [1,0,0,1,0,0|1,0,0]=3 99 B12R2.24 OC1=CC2=CC=CN=C2C=C1 AC-907/25014237 [1,0,0,1,0,0|2,0,0]=4 100 B12R2.24 OC1=CC=[N+]2C=CC=CC2=C1 AN-584/43493900 [1,0,0,1,0,0|2,0,0]=4 101 B12R2.24 OC1=CN=C2C=CC=CC2=C1 AE-907/30839031 [1,0,0,1,0,0|2,0,0]=4 102 B12R2.24 OC1=NC2=C(C=CC=C2)N=C1 AB-323/25048501 [1,0,0,1,0,0|2,0,0]=4 103 B12R2.24 SC1=CC=C2C=CC=CC2=C1 AQ-917/40186368 [1,0,0,1,0,0|0,1,1]=4 104 B12R2.2403 O=S1(=O)C=CC2=C1C=CC=C2 AC-907/25014199 [1,0,0,1,0,0|1,0,1]=4 105 B12R2.44 COC1=CC2=C(C=C1)NC=C2 AB-337/25021007 [0,0,0,1,1,0|2,0,0]=4 106 B12R2.44 COC1=CC2=C(C=CN2)C=C1 AQ-776/40228276 [0,0,0,1,1,0|2,0,0]=4 107 B14R2.68 O=C1CCC(C2=CC=CC=C2)=NN1 AC-907/25005034 [0,0,0,1,0,1|2,0,0]=4 108 B14R2.95 CCC(=O)C1=CNC2=C1C=CC=C2 AH-357/02184028 [0,0,0,1,0,1|1,0,0]=3 109 B14R2.21 O=C1C=COC(C2=CC=CC=C2)=C1 AO-801/40198759 [0,1,0,1,0,0|1,0,1]=4 110 B14R2.134 COC1=CC2=C[N+]([O-])=CC=C2C=C1 AP-406/41885695 [0,1,0,1,0,0|2,0,0]=4 111 B14R2.2332 COC1=CC=C2OC(=O)C=CC2=C1 AR-683/40724488 [0,1,0,1,0,0|2,0,0]=4 112 B14R2.29369 O=C1C=CC2=C(C=CC(Br)=C2)C1=O CS-004/04003052 [0,1,0,1,0,0|2,0,0]=4 113 B14R2.112 BrCCC1=CC2=CC=CC=C2C=C1 AQ-917/42754009 [0,1,0,1,0,0|2,0,0]=4 114 B14R2.203 CC1=CC=C2C=CC=CC2=C1CCl AB-131/40897096 [0,1,0,1,0,0|2,0,0]=4 115 B14R2.447 CC1=C(C2=CC=CC=C2)C(Cl)C1=O AN-967/25120039 [0,1,0,1,0,0|1,0,1]=4 116 B14R2.972 COC(=O)C1=CC2=C(C=CC=C2)N1 AH-357/03497008 [0,1,0,1,0,0|0,0,0]=2 117 B14R2.972 COC(=O)N1CC2=CC=CC=C2C1 AN-584/42206209 [0,1,0,1,0,0|1,0,1]=4 118 B14R2.972 NNC(=O)C1=CC2=C(C=CC=C2)N1 AN-068/25067012 [0,1,0,1,0,0|2,0,0]=4 119 B14R2.972 NNC(=O)C1=CC2=C(C=CC=C2)O1 AG-690/12765572 [0,1,0,1,0,0|2,0,0]=4 120 B14R2.8188 CC1=C(C)C2=CC=CC=C2C=C1O AP-406/42800539 [0,1,0,1,0,0|2,0,0]=4 121 B14R2.781 CC(=O)C1=CC2=CC=CC=C2C=C1 AC-907/25014303 [0,1,0,1,0,0|2,0,0]=4 122 B14R2.781 C[C@H](N)C1=CC=C2C=CC=CC2=C1 AI-942/25034862 [0,1,0,1,0,0|2,0,0]=4 123 B14R2.92 O=CC1=C(Br)C2=C(C=CC=C2)C=C1 AE-641/03232057 [0,1,0,1,0,0|2,0,0]=4 124 B10R1.18 CC(=O)NC1=CC=CC=C1 AH-034/32461060 [1,0,0,0,1,0|1,0,0]=3 125 B10R1.18 CC(=O)NC1=CC=CC=N1 AH-283/32233018 [1,0,0,0,1,0|2,0,0]=4 126 B10R1.18 CC(=O)NC1=CN=CC=C1 AC-907/25004679 [1,0,0,0,1,0|2,0,0]=4 127 B10R1.18 CC(=S)NC1=CC=CC=C1 AQ-012/40221353 [1,0,0,0,1,0|1,1,0]=4 128 B10R1.18 C[N+]([O-])=CC1=CC=CC=C1 AN-068/40233748 [1,0,0,0,1,0|1,0,1]=4 129 B10R1.66 NC(=O)\C=C\C1=CC=CO1 AJ-087/25124012 [1,0,0,0,1,0|2,0,0]=4 130 B10R1.66 O=C(O)\C=C\C1=CSC=C1 AI-942/25034372 [1,0,0,0,1,0|1,0,0]=3 131 B10R1.15 CNC(=O)C1=CC=CC=C1 AP-065/40250235 [0,0,0,0,2,0|1,0,0]=3 132 B10R1.15 COC(=O)C1=CC=NC=N1 AC-907/25004532 [0,0,0,0,2,0|2,0,0]=4 133 B10R1.15 COC(=O)C1=CN=CC=C1 AC-907/25014170 [0,0,0,0,2,0|1,0,0]=3 134 B10R1.15 COC(=O)C1=CN=CC=N1 AN-652/40184635 [0,0,0,0,2,0|2,0,0]=4 135 B10R1.15 COC(=O)C1=CN=CN=C1 AN-584/41341491 [0,0,0,0,2,0|2,0,0]=4 136 B10R1.15 COC(=O)C1=NC=CC=N1 AI-942/25121077 [0,0,0,0,2,0|2,0,0]=4 137 B10R1.15 O=C(CBr)C1=CC=CC=C1 AC-907/25014200 [0,0,0,0,2,0|2,0,0]=4