0 B7R0.4 C\C=C\C=C\C(=O)O AN-651/40229308 [0,0,0,0,0,0|0,0,0]=0 1 B6R0.4 O=CNCC(=O)O AH-034/32838045 [1,0,0,0,0,0|2,0,1]=4 2 B8R1.4 CC1=CC=CC(=O)N1 AE-646/31214032 [0,0,0,1,0,0|1,0,0]=2 3 B8R1.4 CC1=CC=CC(C)=N1 AC-907/25014177 [0,0,0,1,0,0|2,0,0]=3 4 B8R1.4 CC1=CC=C[N+]([O-])=C1 AC-907/34117036 [0,0,0,1,0,0|2,0,1]=4 5 B8R1.4 CC1=CC=NC(N)=C1 AC-907/25014131 [0,0,0,1,0,0|3,0,0]=4 6 B8R1.4 CC1=NC(N)=CC=N1 AG-690/33373005 [0,0,0,1,0,0|3,0,0]=4 7 B8R1.4 CC1=NC(O)=NC=C1 AC-907/30003036 [0,0,0,1,0,0|2,0,0]=3 8 B8R1.4 CC1=NC=CC(Br)=C1 AN-584/43413320 [0,0,0,1,0,0|3,0,0]=4 9 B8R1.4 CC1=NC=NC(O)=C1 AC-907/30003034 [0,0,0,1,0,0|3,0,0]=4 10 B8R1.4 C[N+]1=CC=CC(Cl)=C1 AC-907/25004544 [0,0,0,1,0,0|3,0,0]=4 11 B8R1.4 C[N+]1=CC=CC(N)=C1 AB-323/25048193 [0,0,0,1,0,0|3,0,0]=4 12 B8R1.4 ClC1=CC=CC(Cl)=N1 AC-907/25014035 [0,0,0,1,0,0|3,0,0]=4 13 B8R1.4 NC1=CC(O)=CC=N1 AQ-776/40171296 [0,0,0,1,0,0|3,0,0]=4 14 B8R1.4 NC1=CC=CC(Br)=N1 AC-907/25000246 [0,0,0,1,0,0|3,0,0]=4 15 B8R1.4 NC1=CC=CC(Cl)=N1 AC-907/25004401 [0,0,0,1,0,0|3,0,0]=4 16 B8R1.4 NC1=CC=CC(N)=N1 AC-907/25014391 [0,0,0,1,0,0|3,0,0]=4 17 B8R1.4 NC1=CC=CC(O)=N1 AJ-333/25006202 [0,0,0,1,0,0|2,0,0]=3 18 B8R1.4 NC1=NC(=O)C=CN1 AC-907/25004299 [0,0,0,1,0,0|3,0,0]=4 19 B8R1.4 OC1=CC(Br)=CC=N1 AC-907/25004371 [0,0,0,1,0,0|3,0,0]=4 20 B8R1.4 OC1=CC(Br)=CN=C1 AC-907/30002047 [0,0,0,1,0,0|3,0,0]=4 21 B8R1.4 OC1=CC=CC(Br)=N1 AC-907/25004373 [0,0,0,1,0,0|2,0,0]=3 22 B8R1.4 OC1=CC=NC(Cl)=C1 AC-907/34115048 [0,0,0,1,0,0|3,0,0]=4 23 B8R1.4 OC1=CC=NC(O)=C1 AC-907/25014063 [0,0,0,1,0,0|3,0,0]=4 24 B8R1.4 OC1=CN=CC(O)=C1 AC-907/34116019 [0,0,0,1,0,0|3,0,0]=4 25 B8R1.4 OC1=NC(O)=NC=C1 AC-907/30002021 [0,0,0,1,0,0|3,0,0]=4 26 B8R1.4 [O-][N+]1=CC=CC(O)=C1 AC-907/25014065 [0,0,0,1,0,0|3,0,0]=4 27 B8R1.7 CC(=O)C1=CC=CN1 AI-942/25034253 [0,0,0,1,0,0|2,0,0]=3 28 B8R1.7 CC(=O)C1=COC=C1 AI-942/25034202 [0,0,0,1,0,0|2,0,1]=4 29 B8R1.7 CC(=O)C1=CSC=C1 AI-942/40192066 [0,0,0,1,0,0|2,0,1]=4 30 B8R1.7 CC(=O)C1=C[Se]C=C1 AI-942/25034210 [0,0,0,1,0,0|2,0,1]=4 31 B8R1.7 O=C(O)C1=CC=CN1 AC-907/25014066 [0,0,0,1,0,0|1,0,0]=2 32 B8R1.7 O=C(O)C1=CC=CO1 AC-907/25014051 [0,0,0,1,0,0|1,0,0]=2 33 B8R1.7 O=C(O)C1=CC=C[Se]1 AI-942/25034662 [0,0,0,1,0,0|1,0,0]=2 34 B8R1.7 O=C(O)C1=CSC=N1 AN-604/40744409 [0,0,0,1,0,0|2,0,0]=3 35 B8R1.7 O=C(O)C1=CSN=N1 AE-842/30373016 [0,0,0,1,0,0|3,0,0]=4 36 B8R1.7 O=C(O)C1=NC=CN1 AC-907/34115015 [0,0,0,1,0,0|2,0,0]=3 37 B7R0.2 CO\C(C)=C/C(=O)O AJ-087/25124015 [1,1,0,0,0,0|1,0,0]=3 38 B7R0.6 CC(=O)NCC(=O)O AB-131/40177771 [1,1,0,0,0,0|1,0,1]=4 39 B9R0.53 O=C(O)\C=C(\Cl)CC(=O)O AK-564/25068019 [0,2,0,0,0,0|1,0,1]=4 40 B7R1.3 NC1=CC=CC=N1 AC-907/25014346 [1,0,0,1,0,0|2,0,0]=4 41 B7R1.3 OC1=CC=CC=N1 AC-907/25014059 [1,0,0,1,0,0|1,0,0]=3 42 B7R1.3 OC1=CC=CN=N1 AC-907/30002019 [1,0,0,1,0,0|2,0,0]=4 43 B7R1.3 OC1=CC=NC=C1 AC-907/34116018 [1,0,0,1,0,0|2,0,0]=4 44 B7R1.3 OC1=CN=CC=C1 AC-907/25014060 [1,0,0,1,0,0|2,0,0]=4 45 B7R1.3 OC1=CN=CC=N1 AC-907/25004286 [1,0,0,1,0,0|2,0,0]=4 46 B7R1.3 OC1=NC=CC=N1 AB-323/25048086 [1,0,0,1,0,0|2,0,0]=4 47 B7R1.3 OC1=NC=NC=C1 AC-907/30002018 [1,0,0,1,0,0|2,0,0]=4 48 B7R1.1 O=CC1=CNC=C1 AC-776/25122024 [1,0,0,1,0,0|1,0,1]=4 49 B7R1.1 O=CC1=CNC=N1 AB-131/25126048 [1,0,0,1,0,0|2,0,0]=4 50 B9R1.13 CC(=O)NC1=CC=CO1 AI-942/42301810 [0,1,0,1,0,0|2,0,0]=4 51 B9R1.13 O=C(O)CC1=COC=C1 AI-942/25034203 [0,1,0,1,0,0|0,0,2]=4 52 B9R1.13 O=C(O)CC1=CSC=C1 AI-942/25034212 [0,1,0,1,0,0|0,0,2]=4 53 B9R1.34 CC1=CC(=O)NC(=O)N1 AB-323/25048156 [0,1,0,1,0,0|2,0,0]=4 54 B9R1.34 CC1=CC(=O)NC(C)=C1 AN-584/40195566 [0,1,0,1,0,0|1,0,0]=3 55 B9R1.34 CC1=CC(=S)C=C(C)O1 AO-801/33291061 [0,1,0,1,0,0|1,0,0]=3 56 B9R1.34 CC1=CC(Br)=CC(C)=N1 AC-907/34118036 [0,1,0,1,0,0|2,0,0]=4 57 B9R1.34 CC1=CC(C)=NC(O)=N1 AC-907/25014135 [0,1,0,1,0,0|2,0,0]=4 58 B9R1.34 CC1=CC(Cl)=CC(Cl)=N1 AN-584/42118738 [0,1,0,1,0,0|2,0,0]=4 59 B9R1.34 CC1=CC(N)=CC(C)=N1 AC-907/34119009 [0,1,0,1,0,0|2,0,0]=4 60 B9R1.34 CC1=CC(O)=CC(=O)N1 AB-337/25021037 [0,1,0,1,0,0|1,0,0]=3 61 B9R1.34 CC1=CC(S)=NC(O)=N1 AB-323/25048184 [0,1,0,1,0,0|2,0,0]=4 62 B9R1.34 CC1=NC(C)=NC(O)=C1 AC-907/25014137 [0,1,0,1,0,0|2,0,0]=4 63 B9R1.34 CC1=NC(N)=CC(O)=N1 AB-323/25048060 [0,1,0,1,0,0|2,0,0]=4 64 B9R1.34 CC1=NC(O)=CC(=O)N1 AC-907/25014073 [0,1,0,1,0,0|2,0,0]=4 65 B9R1.34 CC1=NC(O)=CC(Cl)=N1 AP-501/43400472 [0,1,0,1,0,0|2,0,0]=4 66 B9R1.41 CC(=O)C1=C(I)C=CS1 AI-942/25034172 [0,1,0,1,0,0|2,0,0]=4 67 B9R1.41 CC1=C(C(=O)O)C=CO1 AK-830/25033015 [0,1,0,1,0,0|0,0,0]=2 68 B9R1.41 CC1=C(C(=O)O)C=CS1 AI-942/25034218 [0,1,0,1,0,0|0,0,0]=2 69 B9R1.41 CC1=C(C(=O)O)OC=C1 AB-337/25021043 [0,1,0,1,0,0|0,0,0]=2 70 B9R1.41 CC1=C([N+](=O)[O-])C=CS1 AI-942/25034066 [0,1,0,1,0,0|1,0,1]=4 71 B9R1.41 CN1C=CC=C1C(=O)O AI-942/25034255 [0,1,0,1,0,0|0,0,0]=2 72 B9R1.41 NC(=O)C1=C(N)SC=C1 AI-942/25034073 [0,1,0,1,0,0|2,0,0]=4 73 B9R1.41 O=C(O)C1=C(Br)C=CO1 AI-942/25121026 [0,1,0,1,0,0|1,0,0]=3 74 B9R1.41 O=C(O)C1=C(Br)C=CS1 AF-960/00468043 [0,1,0,1,0,0|1,0,0]=3 75 B9R1.41 O=C(O)C1=C(Cl)C=NN1 AG-664/25027001 [0,1,0,1,0,0|2,0,0]=4 76 B9R1.41 O=C(O)C1=C(Cl)CCC1 AN-970/40920458 [0,1,0,1,0,0|0,0,2]=4 77 B9R1.41 O=C(O)C1=C(F)C=CS1 AI-942/25121036 [0,1,0,1,0,0|1,0,0]=3 78 B9R1.41 O=C(O)C1=C(F)SC=C1 AI-942/25121035 [0,1,0,1,0,0|1,0,0]=3 79 B9R1.41 O=C(O)C1=C(I)C=NN1 AG-690/36538047 [0,1,0,1,0,0|2,0,0]=4 80 B9R1.1 O=CC1=CC=C(O)C=C1 AB-131/40191192 [0,1,0,1,0,0|2,0,0]=4 81 B9R1.2 CC1=NC(C#N)=CC=C1 AK-830/25033026 [0,1,0,1,0,0|2,0,0]=4 82 B9R1.2 CNC1=CC=CC(Cl)=N1 AC-907/25004545 [0,1,0,1,0,0|2,0,0]=4 83 B9R1.2 CNC1=NC(Br)=CC=C1 AN-584/43416474 [0,1,0,1,0,0|2,0,0]=4 84 B9R1.2 COC1=CC=NC(O)=C1 AC-907/34117039 [0,1,0,1,0,0|2,0,0]=4 85 B9R1.2 CSC1=NC=CC(O)=N1 AB-323/25048187 [0,1,0,1,0,0|2,0,0]=4 86 B9R1.2 NCC1=CC(Br)=CC=C1 AE-562/11384036 [0,1,0,1,0,0|2,0,0]=4 87 B9R1.3 CC1=C(O)C(=S)C=CO1 AJ-797/37154018 [0,1,0,1,0,0|1,1,0]=4 88 B9R1.3 CC1=CC=CC(C)=C1O AB-131/40171179 [0,1,0,1,0,0|1,0,0]=3 89 B9R1.3 CC1=CC=CC(C)=[N+]1C AC-907/25004824 [0,1,0,1,0,0|2,0,0]=4 90 B9R1.3 CC1=CC=CC(N)=[N+]1[O-] AE-842/32999054 [0,1,0,1,0,0|1,0,1]=4 91 B9R1.3 CN1C(=O)C=CC=C1Br AC-907/25004521 [0,1,0,1,0,0|2,0,0]=4 92 B9R1.3 NC1=C(O)C(Cl)=CC=C1 AN-584/43422705 [0,1,0,1,0,0|2,0,0]=4 93 B9R1.3 NC1=CC=CC(O)=C1Cl AN-584/43422714 [0,1,0,1,0,0|2,0,0]=4 94 B9R1.3 OC1=C(Br)C=CC=C1Br AJ-087/41885654 [0,1,0,1,0,0|2,0,0]=4 95 B9R1.3 OC1=CC=CC(O)=C1O AB-131/40221933 [0,1,0,1,0,0|1,0,1]=4 96 B9R1.11 CNC(=O)C1=CC=CO1 AK-830/25033016 [0,1,0,1,0,0|2,0,0]=4 97 B9R1.11 CNC(=O)C1=CC=CS1 AK-830/25033017 [0,1,0,1,0,0|2,0,0]=4 98 B9R1.11 COC(=O)C1=CN=CS1 AE-562/40207545 [0,1,0,1,0,0|2,0,0]=4 99 B9R1.11 COC(=O)N1CC=CC1 AN-584/42206207 [0,1,0,1,0,0|1,0,1]=4 100 B9R1.11 C\C(=N/O)C1=CC=CO1 AI-942/40238996 [0,1,0,1,0,0|2,0,0]=4 101 B9R1.11 NNC(=O)C1=CC=CO1 AN-068/40170015 [0,1,0,1,0,0|2,0,0]=4 102 B9R1.6 CC(=O)C1=CN=CC=C1 AE-641/00369001 [0,1,0,1,0,0|1,0,1]=4 103 B9R1.6 NC(=O)C1=CN=CC=C1 AC-907/25014114 [0,1,0,1,0,0|1,0,1]=4 104 B9R1.6 NC(=O)C1=NC=CN=C1 AC-907/25014068 [0,1,0,1,0,0|2,0,0]=4 105 B9R1.6 O=C(O)C1=CC=NC=C1 AC-907/25014347 [0,1,0,1,0,0|0,0,1]=3 106 B9R1.6 O=C(O)C1=CN=CC=C1 AC-907/25014105 [0,1,0,1,0,0|0,0,1]=3 107 B9R1.6 O=C(O)C1=CN=CC=N1 AB-131/40186434 [0,1,0,1,0,0|1,0,0]=3 108 B9R1.6 O=C(O)C1=CN=CN=C1 AA-516/30012043 [0,1,0,1,0,0|1,0,1]=4 109 B9R1.6 O=C(O)C1=NC=NC=C1 AE-641/00364016 [0,1,0,1,0,0|1,0,0]=3 110 B9R1.6 O=C([O-])C1=CN=CC=C1 AC-907/25004509 [0,1,0,1,0,0|0,0,2]=4 111 B9R1.35 CC(=O)C1=CC=C(Br)S1 AI-942/25034161 [0,1,0,1,0,0|1,1,0]=4 112 B9R1.35 CC(=O)C1=CC=C(Cl)S1 AI-942/40232791 [0,1,0,1,0,0|1,1,0]=4 113 B9R1.35 CC1=CC=C(C(=O)O)S1 AI-942/25034216 [0,1,0,1,0,0|0,0,0]=2 114 B9R1.35 CC1=CSC(C(=O)O)=C1 AI-942/25034215 [0,1,0,1,0,0|1,0,0]=3 115 B9R1.35 O=C(O)C1=CC(Br)=CS1 AF-960/00468042 [0,1,0,1,0,0|1,0,0]=3 116 B9R1.35 O=C(O)C1=CC=C(Br)O1 AE-641/00180017 [0,1,0,1,0,0|1,0,0]=3 117 B9R1.35 O=C(O)C1=CSC(Br)=C1 AR-362/33754020 [0,1,0,1,0,0|1,0,1]=4 118 B9R1.35 O=C(O)C1=CSC(Cl)=C1 AI-942/25121028 [0,1,0,1,0,0|1,0,1]=4 119 B9R1.35 O=C1NC=C(C(=O)O)N1 AO-080/40387978 [0,1,0,1,0,0|2,0,0]=4 120 B9R1.69 CC1=C(Br)C=CC(N)=N1 AC-907/30003055 [0,1,0,1,0,0|2,0,0]=4 121 B9R1.69 CC1=C(N)C=CC(Br)=C1 AE-562/43306593 [0,1,0,1,0,0|2,0,0]=4 122 B9R1.69 CC1=C(O)C=CC(Br)=C1 AN-329/40925146 [0,1,0,1,0,0|2,0,0]=4 123 B9R1.69 CC1=CC(I)=CC=C1N AE-641/01196008 [0,1,0,1,0,0|2,0,0]=4 124 B9R1.69 CC1=CC(N)=C(N)C=C1 AC-907/25014184 [0,1,0,1,0,0|2,0,0]=4 125 B9R1.69 CC1=CC(O)=NC=C1Br AN-584/42482460 [0,1,0,1,0,0|2,0,0]=4 126 B9R1.69 CC1=CC=C(C)C(C)=N1 AO-801/41077394 [0,1,0,1,0,0|2,0,0]=4 127 B9R1.69 CC1=CC=C(O)C(Br)=N1 AN-584/43294053 [0,1,0,1,0,0|2,0,0]=4 128 B9R1.69 CC1=CC=C(O)C(Cl)=N1 AN-584/43303031 [0,1,0,1,0,0|2,0,0]=4 129 B9R1.69 CC1=CC=C(O)C(I)=N1 AN-584/43294056 [0,1,0,1,0,0|2,0,0]=4 130 B9R1.69 CC1=CC=C(O)C(N)=N1 AP-501/43408347 [0,1,0,1,0,0|2,0,0]=4 131 B9R1.69 CC1=NC(C)=C(Br)C=C1 AC-907/34118035 [0,1,0,1,0,0|2,0,0]=4 132 B9R1.69 CC1=NC(C)=C(N)C=C1 AJ-333/36120002 [0,1,0,1,0,0|2,0,0]=4 133 B9R1.69 CN1NC(=O)C=CC1=O AC-907/25004444 [0,1,0,1,0,0|2,0,0]=4 134 B9R1.69 NC1=C(Br)C=C(O)C=C1 AN-584/43409803 [0,1,0,1,0,0|2,0,0]=4 135 B9R1.69 NC1=CC(O)=C(Br)C=C1 AN-584/43409802 [0,1,0,1,0,0|2,0,0]=4 136 B9R1.69 NC1=CC=C(Br)C=C1O AN-584/43422886 [0,1,0,1,0,0|2,0,0]=4 137 B9R1.69 NC1=CC=C(O)C=C1Cl AN-584/43422655 [0,1,0,1,0,0|2,0,0]=4 138 B9R1.69 OC1=CC(Br)=CC=C1Cl AO-801/41077424 [0,1,0,1,0,0|2,0,0]=4