0 B9R1.11 CNC(=O)C1=CC=CO1 AK-830/25033016 [0,0,0,0,0,0|1,0,0]=1 1 B9R1.11 CNC(=O)C1=CC=CS1 AK-830/25033017 [0,0,0,0,0,0|1,1,0]=2 2 B9R1.11 CNC(=O)C1=CSC=C1 AK-830/25033018 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.11 COC(=O)C1=CN=CS1 AE-562/40207545 [0,0,0,0,0,0|1,1,0]=2 4 B9R1.11 COC(=O)N1CC=CC1 AN-584/42206207 [0,0,0,0,0,0|2,0,1]=3 5 B9R1.11 C\C(=N/O)C1=CC=CO1 AI-942/40238996 [0,0,0,0,0,0|3,0,0]=3 6 B9R1.11 NNC(=O)C1=CC=CO1 AN-068/40170015 [0,0,0,0,0,0|2,0,0]=2 7 B9R1.11 NNC(=O)C1=CSC=C1 AN-584/40381908 [0,0,0,0,0,0|4,0,0]=4 8 B8R1.7 CC(=O)C1=CC=CN1 AI-942/25034253 [1,0,0,0,0,0|1,0,0]=2 9 B8R1.7 CC(=O)C1=COC=C1 AI-942/25034202 [1,0,0,0,0,0|2,0,0]=3 10 B8R1.7 CC(=O)C1=CSC=C1 AI-942/40192066 [1,0,0,0,0,0|2,0,0]=3 11 B8R1.7 CC(=O)C1=C[Se]C=C1 AI-942/25034210 [1,0,0,0,0,0|2,0,0]=3 12 B8R1.7 O=C(O)C1=CC=CN1 AC-907/25014066 [1,0,0,0,0,0|1,0,0]=2 13 B8R1.7 O=C(O)C1=CC=CO1 AC-907/25014051 [1,0,0,0,0,0|0,0,0]=1 14 B8R1.7 O=C(O)C1=CC=C[Se]1 AI-942/25034662 [1,0,0,0,0,0|0,1,0]=2 15 B8R1.7 O=C(O)C1=CSC=N1 AN-604/40744409 [1,0,0,0,0,0|2,0,0]=3 16 B8R1.7 O=C(O)C1=CSN=N1 AE-842/30373016 [1,0,0,0,0,0|3,0,0]=4 17 B8R1.7 O=C(O)C1=NC=CN1 AC-907/34115015 [1,0,0,0,0,0|2,0,0]=3 18 B8R1.8 O\N=C\C1=CC=CN1 AN-308/25123037 [1,0,0,0,0,0|3,0,0]=4 19 B10R1.14 COC(=O)C1=CC(C)=NO1 AN-970/40211557 [0,1,0,0,0,0|1,0,0]=2 20 B10R1.23 CN(C)C(=S)C1=CC=CS1 AI-942/42301761 [0,1,0,0,0,0|1,2,0]=4 21 B10R1.23 O=C(C1=CC=CS1)C(Br)Br AI-942/25034131 [0,1,0,0,0,0|2,1,0]=4 22 B10R1.149 COC(=O)C1=C(Br)C=CS1 AN-584/43414011 [0,1,0,0,0,0|0,1,0]=2 23 B10R1.149 COC(=O)C1=C(C)N=CS1 AN-970/40920407 [0,1,0,0,0,0|1,1,0]=3 24 B10R1.149 COC(=O)C1=C(N)SC=C1 AI-942/25034264 [0,1,0,0,0,0|2,0,0]=3 25 B10R1.149 COC(=O)C1=C(O)C=CS1 AB-337/25021053 [0,1,0,0,0,0|0,1,0]=2 26 B10R1.149 COC(=O)C1=CSC=C1Br AI-942/25034165 [0,1,0,0,0,0|2,0,0]=3 27 B10R1.15 CNC(=O)C1=CC=CC=C1 AP-065/40250235 [0,0,0,0,0,1|2,0,0]=3 28 B10R1.15 COC(=O)C1=CC=NC=N1 AC-907/25004532 [0,0,0,0,0,1|1,0,0]=2 29 B10R1.15 COC(=O)C1=CN=CC=C1 AC-907/25014170 [0,0,0,0,0,1|1,0,0]=2 30 B10R1.15 COC(=O)C1=CN=CC=N1 AN-652/40184635 [0,0,0,0,0,1|1,0,0]=2 31 B10R1.15 COC(=O)C1=CN=CN=C1 AN-584/41341491 [0,0,0,0,0,1|2,0,0]=3 32 B10R1.15 COC(=O)C1=NC=CC=N1 AI-942/25121077 [0,0,0,0,0,1|1,0,0]=2 33 B10R1.15 O=C(CBr)C1=CC=CC=C1 AC-907/25014200 [0,0,0,0,0,1|3,0,0]=4 34 B10R1.15 O=C(CBr)C1=CC=CC=N1 AM-866/25016009 [0,0,0,0,0,1|3,0,0]=4 35 B7R0.4 C\C=C\C=C\C(=O)O AN-651/40229308 [1,0,1,0,0,0|1,0,0]=3 36 B7R1.1 O=CC1=CNC=C1 AC-776/25122024 [2,0,0,0,0,0|2,0,0]=4 37 B7R1.1 O=CC1=CNC=N1 AB-131/25126048 [2,0,0,0,0,0|2,0,0]=4 38 B9R1.19 CS(=O)(=O)C1=CC=CS1 AI-942/25034080 [1,1,0,0,0,0|1,1,0]=4 39 B9R1.35 CC(=O)C1=CC=C(Br)S1 AI-942/25034161 [1,1,0,0,0,0|0,1,0]=3 40 B9R1.35 CC(=O)C1=CC=C(Cl)S1 AI-942/40232791 [1,1,0,0,0,0|0,1,0]=3 41 B9R1.35 CC1=CC=C(C(=O)O)S1 AI-942/25034216 [1,1,0,0,0,0|0,1,0]=3 42 B9R1.35 CC1=CSC(C(=O)O)=C1 AI-942/25034215 [1,1,0,0,0,0|0,1,0]=3 43 B9R1.35 O=C(O)C1=CC(Br)=CS1 AF-960/00468042 [1,1,0,0,0,0|0,1,0]=3 44 B9R1.35 O=C(O)C1=CC=C(Br)O1 AE-641/00180017 [1,1,0,0,0,0|0,0,0]=2 45 B9R1.35 O=C(O)C1=CSC(Br)=C1 AR-362/33754020 [1,1,0,0,0,0|2,0,0]=4 46 B9R1.35 O=C(O)C1=CSC(Cl)=C1 AI-942/25121028 [1,1,0,0,0,0|2,0,0]=4 47 B9R1.35 O=C1NC=C(C(=O)O)N1 AO-080/40387978 [1,1,0,0,0,0|2,0,0]=4 48 B9R1.41 CC(=O)C1=C(I)C=CS1 AI-942/25034172 [1,1,0,0,0,0|0,1,0]=3 49 B9R1.41 CC1=C(C(=O)O)C=CO1 AK-830/25033015 [1,1,0,0,0,0|2,0,0]=4 50 B9R1.41 CC1=C(C(=O)O)C=CS1 AI-942/25034218 [1,1,0,0,0,0|2,0,0]=4 51 B9R1.41 CC1=C(C(=O)O)OC=C1 AB-337/25021043 [1,1,0,0,0,0|0,0,0]=2 52 B9R1.41 CN1C=CC=C1C(=O)O AI-942/25034255 [1,1,0,0,0,0|1,0,0]=3 53 B9R1.41 O=C(O)C1=C(Br)C=CO1 AI-942/25121026 [1,1,0,0,0,0|0,0,0]=2 54 B9R1.41 O=C(O)C1=C(Br)C=CS1 AF-960/00468043 [1,1,0,0,0,0|0,1,0]=3 55 B9R1.41 O=C(O)C1=C(Cl)C=NN1 AG-664/25027001 [1,1,0,0,0,0|2,0,0]=4 56 B9R1.41 O=C(O)C1=C(F)C=CS1 AI-942/25121036 [1,1,0,0,0,0|0,1,0]=3 57 B9R1.41 O=C(O)C1=C(F)SC=C1 AI-942/25121035 [1,1,0,0,0,0|2,0,0]=4 58 B9R1.41 O=C(O)C1=C(I)C=NN1 AG-690/36538047 [1,1,0,0,0,0|2,0,0]=4 59 B9R1.13 CC(=O)NC1=CC=CO1 AI-942/42301810 [1,1,0,0,0,0|2,0,0]=4 60 B9R1.13 CN(C)C=C1C=CC=C1 AO-840/40768031 [1,1,0,0,0,0|2,0,0]=4 61 B9R1.13 C\[N+]([O-])=C\C1=CC=CN1 AQ-387/42302718 [1,1,0,0,0,0|2,0,0]=4 62 B9R1.13 C\[N+]([O-])=C\C1=CC=CS1 AQ-387/42302717 [1,1,0,0,0,0|1,1,0]=4 63 B11R1.16 CCOC(=O)C1=CN=CN=C1 AN-584/41417189 [0,1,0,0,0,1|2,0,0]=4 64 B11R1.16 NCCC(=O)C1=CC=CC=C1 AQ-917/42754038 [0,1,0,0,0,1|2,0,0]=4 65 B11R1.16 O=C(SCO)C1=CC=CC=C1 AG-826/25038008 [0,1,0,0,0,1|1,1,0]=4 66 B11R1.22 CCC(=O)C1=CC=C(Br)C=C1 AH-034/32461042 [0,1,0,0,0,1|2,0,0]=4 67 B11R1.22 CCC(=O)C1=CC=C(N)C=C1 AE-641/00195035 [0,1,0,0,0,1|2,0,0]=4 68 B11R1.22 CCC(=O)C1=CC=C(O)C=C1 AF-676/00077028 [0,1,0,0,0,1|2,0,0]=4 69 B11R1.22 COC(=O)C1=CC=C(C)C=C1 AB-131/40218986 [0,1,0,0,0,1|1,0,0]=3 70 B11R1.22 COC(=O)C1=CC=C(N)C=C1 AE-848/32195053 [0,1,0,0,0,1|1,0,0]=3 71 B11R1.22 COC(=O)C1=CC=C(N)N=C1 AQ-776/42801236 [0,1,0,0,0,1|1,0,0]=3 72 B11R1.22 COC(=O)C1=CC=[N+](C)C=C1 AE-848/00864037 [0,1,0,0,0,1|1,0,0]=3 73 B11R1.22 COC(=O)C1=COC(=O)C=C1 AE-508/40248460 [0,1,0,0,0,1|0,0,0]=2 74 B11R1.22 COC(=O)C1=NC=C(F)C=N1 AR-527/43461195 [0,1,0,0,0,1|1,0,0]=3 75 B11R1.23 COC(=O)C1=CC(N)=CC=C1 AE-562/40241907 [0,1,0,0,0,1|1,0,0]=3 76 B11R1.23 COC(=O)C1=CC=CC(O)=C1 AE-562/40228867 [0,1,0,0,0,1|1,0,0]=3 77 B11R1.23 COC(=O)C1=CC=C[N+](C)=C1 AE-641/00189053 [0,1,0,0,0,1|1,0,0]=3 78 B11R1.23 COC(=O)C1=CC=NC(N)=C1 AQ-776/42801237 [0,1,0,0,0,1|1,0,0]=3 79 B11R1.23 COC(=O)C1=C[N+]([O-])=CC=C1 AJ-333/25006108 [0,1,0,0,0,1|1,0,0]=3 80 B11R1.23 COC(=O)C1=NC=CC(Cl)=C1 AQ-405/42300546 [0,1,0,0,0,1|1,0,0]=3 81 B11R1.222 CNC(=O)C1=C(C)C=CC=C1 AP-065/40324499 [0,1,0,0,0,1|2,0,0]=4 82 B11R1.222 CNC(=O)C1=CC=CC=C1N AQ-360/40271990 [0,1,0,0,0,1|2,0,0]=4 83 B11R1.222 COC(=O)C1=C(I)C=CC=N1 AJ-333/25022047 [0,1,0,0,0,1|1,0,0]=3 84 B11R1.222 COC(=O)C1=C(N)N=CC=N1 AB-323/25048520 [0,1,0,0,0,1|1,0,0]=3 85 B11R1.222 COC(=O)C1=C(O)C=CC=N1 AJ-333/25006091 [0,1,0,0,0,1|1,0,0]=3 86 B11R1.222 COC(=O)C1=C(S)N=CC=C1 AJ-333/25022067 [0,1,0,0,0,1|1,0,0]=3 87 B11R1.222 COC(=O)C1=CC=CN=C1Cl AN-584/42206200 [0,1,0,0,0,1|1,0,0]=3 88 B11R1.222 COC(=O)C1=CC=CNC1=O AJ-333/25006055 [0,1,0,0,0,1|1,0,0]=3 89 B11R1.31 COC(=O)C(=O)C1=CC=CO1 AN-584/43417533 [0,1,0,0,0,1|0,0,0]=2 90 B11R1.31 COC(=O)C(O)C1=CC=CO1 AN-584/43416478 [0,1,0,0,0,1|0,0,0]=2 91 B11R1.39 COC(=O)CC1=CSC(=N)N1 AO-181/25113012 [0,1,0,0,0,1|2,0,0]=4 92 B11R1.15 CCOC(=O)C1=CC(C)=NN1 AG-664/25003391 [0,2,0,0,0,0|2,0,0]=4 93 B11R1.15 CCOC(=O)C1=CSC(Br)=N1 AE-848/06060034 [0,2,0,0,0,0|2,0,0]=4 94 B11R1.44 COC(=O)C1=CC=C(C=O)S1 AI-942/25034375 [0,2,0,0,0,0|0,1,0]=3 95 B11R1.44 COC(=O)C1=CSC(C=O)=C1 AI-942/25034378 [0,2,0,0,0,0|2,0,0]=4 96 B11R1.225 COC(=O)C1=C(C)N=C(N)S1 AG-670/25010006 [0,2,0,0,0,0|1,1,0]=4 97 B11R1.225 COC(=O)C1=C(N)C=C(C)S1 AI-942/25034463 [0,2,0,0,0,0|0,1,0]=3 98 B11R1.226 CCC(=O)C1=CC(Br)=C(Br)S1 AI-942/25034351 [0,2,0,0,0,0|1,1,0]=4 99 B11R1.865 COC(=O)C1=C(I)C(I)=CS1 AI-942/25034138 [0,2,0,0,0,0|0,1,0]=3 100 B11R1.865 COC(=O)C1=CSC(Br)=C1Br AP-836/41220399 [0,2,0,0,0,0|2,0,0]=4 101 B11R1.865 COC(=O)C1=CSC(I)=C1Br AI-942/25034125 [0,2,0,0,0,0|2,0,0]=4 102 B11R1.59 COC(=O)C1=C(C=O)C=CO1 AN-584/43447527 [0,2,0,0,0,0|0,0,0]=2 103 B11R1.59 COC(=O)C1=C(C=O)C=CS1 AI-942/25034377 [0,2,0,0,0,0|0,1,0]=3 104 B11R1.59 COC(=O)C1=C(OC)C=CS1 AI-942/25034447 [0,2,0,0,0,0|0,1,0]=3 105 B9R1.2 COC1=CC=NC(O)=C1 AC-907/34117039 [0,0,1,1,0,0|2,0,0]=4 106 B11R2.1 O=C1OCC2=C1C=CC=C2 AE-641/30105043 [0,0,0,1,0,1|1,0,0]=3 107 B11R2.1 O=C1SCC2=CC=CC=C12 AE-641/25069001 [0,0,0,1,0,1|1,1,0]=4 108 B9R1.6 CC(=O)C1=CN=CC=C1 AE-641/00369001 [1,0,0,0,0,1|1,0,0]=3 109 B9R1.6 NC(=O)C1=CN=CC=C1 AC-907/25014114 [1,0,0,0,0,1|2,0,0]=4 110 B9R1.6 NC(=O)C1=NC=CN=C1 AC-907/25014068 [1,0,0,0,0,1|2,0,0]=4 111 B9R1.6 O=C(O)C1=CC=NC=C1 AC-907/25014347 [1,0,0,0,0,1|1,0,0]=3 112 B9R1.6 O=C(O)C1=CN=CC=C1 AC-907/25014105 [1,0,0,0,0,1|1,0,0]=3 113 B9R1.6 O=C(O)C1=CN=CC=N1 AB-131/40186434 [1,0,0,0,0,1|1,0,0]=3 114 B9R1.6 O=C(O)C1=CN=CN=C1 AA-516/30012043 [1,0,0,0,0,1|2,0,0]=4 115 B9R1.6 O=C(O)C1=NC=NC=C1 AE-641/00364016 [1,0,0,0,0,1|1,0,0]=3 116 B9R1.6 O=C([O-])C1=CN=CC=C1 AC-907/25004509 [1,0,0,0,0,1|1,0,1]=4 117 B11R1.40 COC(=O)NC1=CC=NC=C1 AN-584/40385585 [0,0,0,0,0,2|1,0,0]=3 118 B11R1.25 COC(=O)\C=C\C1=CC=CS1 AE-562/40245922 [0,0,0,0,0,2|0,1,0]=3