0 B10R1.58 CC1=C(Br)C=C(C(=O)O)S1 AI-942/25034163 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.58 CC1=C(C)SC(C(=O)O)=C1 AI-942/25034428 [0,0,0,0,0,0|1,0,0]=1 2 B9R1.23 CC1=C(Br)C=C(C=O)S1 AN-584/11663464 [1,0,0,0,0,0|2,0,0]=3 3 B9R1.35 CC(=O)C1=CC=C(Br)S1 AI-942/25034161 [1,0,0,0,0,0|1,1,0]=3 4 B9R1.35 CC(=O)C1=CC=C(Cl)S1 AI-942/40232791 [1,0,0,0,0,0|1,0,0]=2 5 B9R1.35 CC1=CC=C(C(=O)O)S1 AI-942/25034216 [1,0,0,0,0,0|1,0,0]=2 6 B9R1.35 CC1=CSC(C(=O)O)=C1 AI-942/25034215 [1,0,0,0,0,0|0,0,0]=1 7 B9R1.35 O=C(O)C1=CC(Br)=CS1 AF-960/00468042 [1,0,0,0,0,0|1,0,0]=2 8 B9R1.35 O=C(O)C1=CC=C(Br)O1 AE-641/00180017 [1,0,0,0,0,0|0,2,0]=3 9 B9R1.35 O=C(O)C1=CSC(Br)=C1 AR-362/33754020 [1,0,0,0,0,0|2,1,0]=4 10 B9R1.35 O=C(O)C1=CSC(Cl)=C1 AI-942/25121028 [1,0,0,0,0,0|2,0,0]=3 11 B9R1.35 O=C1NC=C(C(=O)O)N1 AO-080/40387978 [1,0,0,0,0,0|3,0,0]=4 12 B11R1.226 CCC(=O)C1=CC(Br)=C(Br)S1 AI-942/25034351 [0,1,0,0,0,0|2,1,0]=4 13 B11R1.21 CC(=O)C1=CC=C(O)C(C)=C1 AO-800/41069724 [0,0,0,0,0,1|3,0,0]=4 14 B11R1.21 CC1=C(C)C=C(C(=O)O)C=C1 AE-562/40207816 [0,0,0,0,0,1|2,0,0]=3 15 B11R1.21 CC1=C(N)C=CC(C(=O)O)=C1 AB-131/40897188 [0,0,0,0,0,1|2,0,0]=3 16 B11R1.21 CC1=CC(C(=O)O)=CC=C1Cl AE-562/43459897 [0,0,0,0,0,1|1,0,0]=2 17 B11R1.21 CC1=CC([N+](=O)[O-])=CC=C1Cl AE-562/40182212 [0,0,0,0,0,1|2,0,1]=4 18 B11R1.21 CC1=CC=C(C(=O)O)C=C1I AN-970/40920439 [0,0,0,0,0,1|1,1,0]=3 19 B11R1.21 CC1=CC=C([N+](=O)[O-])C=C1Cl AC-907/25014164 [0,0,0,0,0,1|2,0,1]=4 20 B11R1.21 CN1C=C(C(=O)O)C=CC1=O AC-907/34118031 [0,0,0,0,0,1|3,0,0]=4 21 B11R1.21 CN1C=C(C(=O)O)C=CC1=S AJ-333/25022081 [0,0,0,0,0,1|3,0,0]=4 22 B11R1.21 CN1C=CC(C(=O)O)=CC1=O AN-584/41682964 [0,0,0,0,0,1|3,0,0]=4 23 B11R1.21 NC1=CC(C(=O)O)=CC=C1O AN-584/40209222 [0,0,0,0,0,1|3,0,0]=4 24 B11R1.21 NC1=CC=C(C(=O)O)C=C1Br AE-562/43286928 [0,0,0,0,0,1|2,1,0]=4 25 B11R1.21 O=C(O)C1=CC(=O)C(O)=CO1 AO-801/41077391 [0,0,0,0,0,1|2,1,0]=4 26 B11R1.21 O=C(O)C1=CC(F)=C(F)C=C1 AN-652/40227387 [0,0,0,0,0,1|2,1,0]=4 27 B11R1.21 O=C(O)C1=CC(O)=C(O)C=N1 AC-907/30003018 [0,0,0,0,0,1|3,0,0]=4 28 B11R1.21 O=C(O)C1=CC=C(Cl)C(Cl)=C1 AE-562/43459830 [0,0,0,0,0,1|2,0,0]=3 29 B11R1.21 O=C(O)C1=CC=C(O)C(Br)=C1 AE-562/05574007 [0,0,0,0,0,1|2,1,0]=4 30 B11R1.21 O=C(O)C1=CC=C(O)C(Br)=N1 AR-011/43409547 [0,0,0,0,0,1|2,1,0]=4 31 B11R1.21 O=C(O)C1=CC=C(O)C(O)=C1 AE-562/40524392 [0,0,0,0,0,1|3,0,0]=4 32 B11R1.74 CC1=CC(C)=CC(C(=O)O)=C1 AB-131/40207591 [0,0,0,0,0,1|2,0,0]=3 33 B11R1.74 CC1=CC(O)=NC(C(=O)O)=C1 AO-801/41077460 [0,0,0,0,0,1|2,0,0]=3 34 B11R1.74 O=C(O)C1=CC(Br)=CC(Br)=C1 AE-641/00128058 [0,0,0,0,0,1|2,1,0]=4 35 B11R1.74 O=C(O)C1=CC(Cl)=CC(Cl)=C1 AE-562/43099674 [0,0,0,0,0,1|2,0,0]=3 36 B11R1.74 O=C(O)C1=CC(Cl)=NC(Cl)=C1 AC-907/25004488 [0,0,0,0,0,1|2,0,0]=3 37 B11R1.74 O=C(O)C1=CC(O)=CC(O)=C1 AE-562/40806860 [0,0,0,0,0,1|3,0,0]=4 38 B11R1.74 O=C(O)C1=CC(O)=NC(O)=C1 AE-562/40806835 [0,0,0,0,0,1|3,0,0]=4 39 B11R1.74 O=C1C=C(C(=O)O)NC(=O)N1 AB-323/25048164 [0,0,0,0,0,1|3,0,0]=4 40 B8R1.7 CC(=O)C1=CC=CN1 AI-942/25034253 [2,0,0,0,0,0|2,0,0]=4 41 B8R1.7 O=C(O)C1=CC=CN1 AC-907/25014066 [2,0,0,0,0,0|1,0,0]=3 42 B8R1.7 O=C(O)C1=CC=CO1 AC-907/25014051 [2,0,0,0,0,0|0,1,0]=3 43 B8R1.7 O=C(O)C1=CC=C[Se]1 AI-942/25034662 [2,0,0,0,0,0|0,1,0]=3 44 B8R1.7 O=C(O)C1=CSC=N1 AN-604/40744409 [2,0,0,0,0,0|2,0,0]=4 45 B8R1.7 O=C(O)C1=NC=CN1 AC-907/34115015 [2,0,0,0,0,0|2,0,0]=4 46 B10R1.34 CC1=C(C)C(I)=C(C=O)S1 AI-942/25034406 [1,1,0,0,0,0|1,0,0]=3 47 B10R1.34 CC1=C(C=O)SC(Br)=C1Br AI-942/25034614 [1,1,0,0,0,0|1,1,0]=4 48 B10R1.14 COC(=O)C1=CC(C)=NO1 AN-970/40211557 [1,1,0,0,0,0|1,1,0]=4 49 B10R1.31 CCC1=CC=C(C(=O)O)S1 AI-942/25034437 [1,1,0,0,0,0|1,0,0]=3 50 B10R1.31 COC1=CC=C(C(=O)O)S1 AI-942/25121080 [1,1,0,0,0,0|1,0,0]=3 51 B10R1.31 O=CC1=CC=C(C(=O)O)S1 AI-942/25034147 [1,1,0,0,0,0|1,0,0]=3 52 B10R1.59 CC(=O)C1=C(Br)C=C(Br)S1 AI-942/42301929 [1,1,0,0,0,0|1,1,0]=4 53 B10R1.59 CC1=CC(C(=O)O)=C(C)S1 AK-830/25033038 [1,1,0,0,0,0|2,0,0]=4 54 B10R1.59 CC1=CC(C(=O)O)=C(C)[Se]1 AI-942/25034445 [1,1,0,0,0,0|2,0,0]=4 55 B10R1.194 O=C(O)C1=C(I)C(I)=CS1 AI-942/25121019 [1,1,0,0,0,0|1,0,0]=3 56 B12R1.48 COC1=C(Br)C=C(C(=O)O)C=C1 AE-641/00128055 [0,1,0,0,0,1|1,1,0]=4 57 B12R1.48 COC1=C(O)C=C(C(=O)O)N=C1 AE-562/43286909 [0,1,0,0,0,1|2,0,0]=4 58 B12R1.48 COC1=CC=C(C(=O)O)C=C1C AE-562/43459660 [0,1,0,0,0,1|2,0,0]=4 59 B12R1.48 COC1=CC=C(C(=O)O)C=C1I AN-329/40792233 [0,1,0,0,0,1|1,1,0]=4 60 B12R1.48 COC1=CC=C(C(=O)O)N=C1Br AN-584/43294054 [0,1,0,0,0,1|1,1,0]=4 61 B12R1.48 COC1=CC=C(C(=O)O)N=C1Cl AN-584/43303035 [0,1,0,0,0,1|1,0,0]=3 62 B12R1.48 COC1=CC=C(C(=O)O)N=C1I AN-584/43294058 [0,1,0,0,0,1|1,1,0]=4 63 B12R1.232 CC1=CC(C)=C(C(=O)O)C=C1C AE-562/40207842 [0,1,0,0,0,1|2,0,0]=4 64 B12R1.893 CC1=C(C)C(C(=O)O)=CC=C1N AE-562/43286945 [0,1,0,0,0,1|2,0,0]=4 65 B12R1.1005 CC1=C(Br)C=C(C(=O)O)C=C1Br AE-848/00890001 [0,1,0,0,0,1|1,1,0]=4 66 B12R1.1005 CC1=CC(C(=O)O)=CC(C)=C1O AE-562/40231541 [0,1,0,0,0,1|2,0,0]=4 67 B12R1.358 COC(=O)C1=CC(C)=CC(=O)N1 AN-584/43462593 [0,1,0,0,0,1|2,0,0]=4 68 B12R1.358 COC(=O)C1=CC(Cl)=CC(Cl)=C1 AK-968/41169433 [0,1,0,0,0,1|2,0,0]=4 69 B12R1.358 COC(=O)C1=NC(N)=NC(C)=C1 AG-664/25005970 [0,1,0,0,0,1|2,0,0]=4 70 B12R1.511 CC1=C(O)C(C(=O)O)=CC(N)=C1 AE-641/00781015 [0,1,0,0,0,1|2,0,0]=4 71 B12R1.511 NC1=C(Cl)C=C(Br)C=C1C(=O)O AE-848/30748003 [0,1,0,0,0,1|2,0,0]=4 72 B12R1.362 COC(=O)C1=C(Br)C(Br)=C(Br)S1 AI-942/25034100 [0,2,0,0,0,0|1,1,0]=4 73 B10R1.39 O=CC1=C(C(=O)O)SC=C1 AI-942/25034149 [0,0,1,1,0,0|2,0,0]=4 74 B10R1.113 CC1=CC=CC(C(=O)O)=C1 AB-131/40222909 [0,0,1,1,0,0|2,0,0]=4 75 B10R1.113 O=C(O)C1=CC(Cl)=CC=C1 AQ-344/40293172 [0,0,1,1,0,0|1,0,1]=4 76 B10R1.113 O=C(O)C1=CC=CC(Cl)=N1 AH-034/05437046 [0,0,1,1,0,0|1,0,1]=4 77 B10R1.113 O=C(O)C1=CC=NC(Cl)=C1 AN-584/40173345 [0,0,1,1,0,0|2,0,0]=4 78 B10R1.54 CC(=O)NC1=NC(C)=CS1 AB-601/30915053 [1,0,0,0,0,1|2,0,0]=4 79 B12R1.19 CC(=O)NC1=CC=C(Cl)C(C)=C1 CS-003/03945048 [0,0,0,0,0,2|2,0,0]=4 80 B12R1.101 CC1=CC(C)=CC(CC(=O)O)=C1 AE-562/43359417 [0,0,0,0,0,2|2,0,0]=4