0 B11R1.91 N=C(N)CCC1=CC=CC=C1 AE-477/40437168 [0,0,0,0,0,0|2,0,2]=4 1 B11R1.91 N=C(N)SCC1=CC=CC=C1 AC-907/25004812 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.91 O=C(O)C#CC1=CC=CC=C1 AD-266/40164861 [0,0,0,0,0,0|0,0,2]=2 3 B11R1.91 O=C(O)COC1=CC=CC=C1 AC-907/25014208 [0,0,0,0,0,0|1,0,1]=2 4 B11R1.91 O=C(O)COC1=CC=CC=N1 AC-907/34118029 [0,0,0,0,0,0|2,0,1]=3 5 B11R1.91 O=C(O)CSC1=CC=CC=C1 AN-651/40187870 [0,0,0,0,0,0|1,0,1]=2 6 B11R1.91 O=C(O)CSC1=CC=CC=N1 AE-641/00692009 [0,0,0,0,0,0|2,0,1]=3 7 B11R1.91 O=C(O)\C=C\C1=CC=NC=C1 AA-516/30131001 [0,0,0,0,0,0|1,0,0]=1 8 B11R1.91 O=[N+]([O-])\C=C\C1=CC=CC=C1 AF-961/00496050 [0,0,0,0,0,0|1,0,1]=2 9 B10R1.17 Cl\C=C\C[N+]1=CC=CC=C1 AO-840/42718062 [1,0,0,0,0,0|2,0,1]=4 10 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 AE-473/30684056 [0,1,0,0,0,0|1,0,2]=4 11 B12R1.21 CC(=O)CSC1=CC=C(Br)C=C1 AA-516/30035027 [0,1,0,0,0,0|2,0,1]=4 12 B12R1.21 CC(=O)\C=C\C1=CC=C(Cl)C=C1 AJ-333/25022107 [0,1,0,0,0,0|1,0,0]=2 13 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 AE-641/00135025 [0,1,0,0,0,0|0,0,0]=1 14 B12R1.21 CS(=O)\C=C/C1=CC=C(Cl)C=C1 AK-823/11520888 [0,1,0,0,0,0|2,0,0]=3 15 B12R1.21 NC(=O)CCC1=CC=C(N)C=C1 AE-562/43460369 [0,1,0,0,0,0|1,0,2]=4 16 B12R1.21 O=C(O)C#CC1=CC=C(Br)C=C1 AE-562/12222063 [0,1,0,0,0,0|0,0,2]=3 17 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 AE-641/00345037 [0,1,0,0,0,0|0,0,2]=3 18 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 AQ-358/40179730 [0,1,0,0,0,0|0,0,2]=3 19 B12R1.21 O=C(O)COC1=CC=C(I)C=C1 AG-690/13155018 [0,1,0,0,0,0|1,0,1]=3 20 B12R1.21 O=C(O)COC1=NC=C(Cl)C=C1 AC-907/34105007 [0,1,0,0,0,0|2,0,1]=4 21 B12R1.21 O=C(O)CSC1=CC=C(Cl)C=C1 AA-516/30012060 [0,1,0,0,0,0|1,0,1]=3 22 B12R1.21 O=C(O)CSC1=CC=C(F)C=C1 AE-848/30864049 [0,1,0,0,0,0|1,0,1]=3 23 B12R1.21 O=C(O)\C=C\C1=CC=C(Cl)C=C1 AE-641/01605057 [0,1,0,0,0,0|0,0,0]=1 24 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 AE-562/40414679 [0,1,0,0,0,0|0,0,0]=1 25 B12R1.21 O=C1C=CN(OCC(=O)O)C=C1 AC-907/25004659 [0,1,0,0,0,0|2,0,1]=4 26 B12R1.27 COC(=O)CSC1=CC=CC=C1 AT-419/41782453 [0,1,0,0,0,0|1,0,1]=3 27 B12R1.27 NNC(=O)\C=C\C1=CC=CN=C1 AO-289/42804217 [0,1,0,0,0,0|2,0,0]=3 28 B12R1.43 CC(NC1=CC=CC=C1)C(=O)O AE-477/25037028 [0,1,0,0,0,0|1,0,1]=3 29 B12R1.43 CC(OC1=CC=CC=C1)C(=O)O AN-651/40401218 [0,1,0,0,0,0|1,0,1]=3 30 B12R1.43 C\C(=C/C1=CC=CC=C1)C(=O)O AE-562/42007298 [0,1,0,0,0,0|0,0,0]=1 31 B12R1.107 CC(=O)\C=C(/O)C1=CC=CC=N1 AR-527/40214440 [0,1,0,0,0,0|2,0,0]=3 32 B12R1.107 C\C(=C/C(=O)O)C1=CC=CC=C1 AE-641/00378058 [0,1,0,0,0,0|0,0,0]=1 33 B12R1.125 CC(=O)\C=C\C1=C(O)C=CC=C1 AO-840/40184794 [0,1,0,0,0,0|1,0,0]=2 34 B12R1.125 CC1=CC=CC=C1CCC(=O)O AE-562/43460471 [0,1,0,0,0,0|0,0,2]=3 35 B12R1.125 CC1=CC=CC=C1NCC(=O)O AE-562/33905058 [0,1,0,0,0,0|1,0,1]=3 36 B12R1.125 CC1=CC=CC=C1OCC(=O)O AC-907/25014252 [0,1,0,0,0,0|1,0,1]=3 37 B12R1.125 CC1=CC=CC=C1\C=C\C(=O)O AI-942/25034752 [0,1,0,0,0,0|0,0,0]=1 38 B12R1.125 O=C(O)CCC1=CC=CC=C1Cl AJ-087/41885657 [0,1,0,0,0,0|0,0,2]=3 39 B12R1.125 O=C(O)CCN1C=CC=CC1=O AO-365/43467515 [0,1,0,0,0,0|1,0,2]=4 40 B12R1.125 O=C(O)COC1=C(Cl)C=CC=C1 AF-615/00098053 [0,1,0,0,0,0|1,0,1]=3 41 B12R1.125 O=C(O)\C=C/C1=CC=CC=C1Cl AE-641/01171033 [0,1,0,0,0,0|0,0,0]=1 42 B12R1.226 CC(=O)\C=C\C1=CC(O)=CC=C1 AE-562/43459153 [0,1,0,0,0,0|1,0,0]=2 43 B12R1.226 CC1=CC(\C=C\C(=O)O)=CC=C1 AE-641/00365055 [0,1,0,0,0,0|0,0,0]=1 44 B12R1.226 NC1=CC(CCC(=O)O)=CC=C1 AE-562/43460511 [0,1,0,0,0,0|0,0,2]=3 45 B12R1.226 NC1=CC(\C=C\C(=O)O)=CC=C1 AF-962/00508057 [0,1,0,0,0,0|0,0,0]=1 46 B12R1.226 O=C(O)CCC1=CC=CC(Br)=C1 AE-562/43460517 [0,1,0,0,0,0|0,0,2]=3 47 B12R1.226 O=C(O)CCC1=CC=CC(Cl)=C1 AJ-087/41885649 [0,1,0,0,0,0|0,0,2]=3 48 B12R1.226 O=C(O)CCC1=CC=CC(I)=C1 AE-641/00196031 [0,1,0,0,0,0|0,0,2]=3 49 B12R1.226 O=C(O)CCC1=CC=CC(O)=C1 AN-651/40987637 [0,1,0,0,0,0|0,0,2]=3 50 B12R1.226 O=C(O)COC1=CC=CC(Br)=C1 AG-205/06752035 [0,1,0,0,0,0|1,0,1]=3 51 B12R1.226 O=C(O)\C=C\C1=CC(Cl)=CC=C1 AE-562/40896974 [0,1,0,0,0,0|0,0,0]=1 52 B12R1.226 O=C(O)\C=C\C1=CC=CC(Br)=C1 AE-641/00365058 [0,1,0,0,0,0|0,0,0]=1 53 B12R2.24 BrC1=CC2=CC=CC=[N+]2C=C1 AQ-405/42300594 [0,0,0,1,0,0|3,0,0]=4 54 B12R2.24 BrC1=CC=C2C=CC=CC2=N1 AC-907/25004859 [0,0,0,1,0,0|2,0,0]=3 55 B12R2.24 BrC1=CC=C2C=CC=NC2=N1 AF-956/02702003 [0,0,0,1,0,0|3,0,0]=4 56 B12R2.24 BrC1=CC=C2N=CC=CC2=C1 AG-205/12083031 [0,0,0,1,0,0|3,0,0]=4 57 B12R2.24 BrC1=CN=C2C=CC=CC2=C1 AC-907/25014225 [0,0,0,1,0,0|3,0,0]=4 58 B12R2.24 BrC1=NC=C2C=CC=CC2=C1 AC-907/25004858 [0,0,0,1,0,0|3,0,0]=4 59 B12R2.24 CC1=CC2=CC=CN=C2C=C1 AC-907/25014269 [0,0,0,1,0,0|3,0,0]=4 60 B12R2.24 ClC1=NC2=C(C=CC=C2)C=C1 AH-034/32825008 [0,0,0,1,0,0|2,0,0]=3 61 B12R2.24 FC1=CC2=NC=CC=C2C=C1 AF-753/00317059 [0,0,0,1,0,0|3,0,0]=4 62 B12R2.24 NC1=CC2=CC=CN=C2C=C1 AC-907/25014243 [0,0,0,1,0,0|3,0,0]=4 63 B12R2.24 NC1=CC=C2C=CC=CC2=N1 AC-907/25014242 [0,0,0,1,0,0|2,0,0]=3 64 B12R2.24 NC1=CN=C2C=CC=CC2=C1 AH-034/32464043 [0,0,0,1,0,0|3,0,0]=4 65 B12R2.24 O=C1C=CC2=C(C=CC=C2)N1 AC-907/25014359 [0,0,0,1,0,0|1,0,0]=2 66 B12R2.24 O=C1C=CN2C=CC=CC2=C1 AC-907/25004896 [0,0,0,1,0,0|2,0,0]=3 67 B12R2.24 O=C1COC2=CC=CC=C2N1 AE-473/30224032 [0,0,0,1,0,0|2,0,1]=4 68 B12R2.24 O=C1CSC2=C(C=CC=C2)N1 AB-321/40172031 [0,0,0,1,0,0|2,0,1]=4 69 B12R2.24 OC1=CC2=C(C=CC=C2)C=C1 AB-131/40299865 [0,0,0,1,0,0|1,0,0]=2 70 B12R2.24 OC1=CC2=CC=CN=C2C=C1 AC-907/25014237 [0,0,0,1,0,0|2,0,0]=3 71 B12R2.24 OC1=CC=[N+]2C=CC=CC2=C1 AN-584/43493900 [0,0,0,1,0,0|2,0,0]=3 72 B12R2.24 OC1=CN=C2C=CC=CC2=C1 AE-907/30839031 [0,0,0,1,0,0|2,0,0]=3 73 B12R2.24 OC1=NC2=C(C=CC=C2)N=C1 AB-323/25048501 [0,0,0,1,0,0|2,0,0]=3 74 B12R2.24 SC1=CC=C2C=CC=CC2=C1 AQ-917/40186368 [0,0,0,1,0,0|1,1,0]=3 75 B12R2.24 [O-][N+]1=CC2=C(C=CC=C2)C=C1 AC-907/25014238 [0,0,0,1,0,0|2,0,1]=4 76 B12R2.2403 O=S1(=O)C=CC2=C1C=CC=C2 AC-907/25014199 [0,0,0,1,0,0|1,0,1]=3 77 B10R1.18 CC(=O)NC1=CC=CC=C1 AH-034/32461060 [0,0,0,0,1,0|2,0,0]=3 78 B10R1.18 CC(=O)NC1=CC=CC=N1 AH-283/32233018 [0,0,0,0,1,0|3,0,0]=4 79 B10R1.18 CC(=O)NC1=CN=CC=C1 AC-907/25004679 [0,0,0,0,1,0|3,0,0]=4 80 B10R1.18 CC(=S)NC1=CC=CC=C1 AQ-012/40221353 [0,0,0,0,1,0|2,1,0]=4 81 B10R1.18 C[N+]([O-])=CC1=CC=CC=C1 AN-068/40233748 [0,0,0,0,1,0|2,0,1]=4 82 B10R1.66 NC(=O)\C=C\C1=CC=CO1 AJ-087/25124012 [0,0,0,0,1,0|2,0,0]=3 83 B10R1.66 O=C(O)\C=C\C1=CSC=C1 AI-942/25034372 [0,0,0,0,1,0|1,0,0]=2 84 B10R1.66 O=[N+]([O-])\C=C\C1=CC=CS1 AB-337/25021025 [0,0,0,0,1,0|2,0,1]=4 85 B12R1.252 NC(=O)NOCC1=CC=CC=C1 AF-399/25108016 [0,0,0,0,0,1|2,0,1]=4 86 B12R1.252 NC(=O)N\N=C/C1=CC=CC=C1 AE-641/00581002 [0,0,0,0,0,1|2,0,0]=3 87 B12R1.252 O=C(O)CCOC1=CC=CC=C1 AJ-087/40299913 [0,0,0,0,0,1|0,0,2]=3 88 B9R1.8 O=CNC1=CC=CC=C1 AR-360/40233696 [2,0,0,0,0,0|1,0,0]=3 89 B9R1.8 O\N=C\C1=NC=CC=C1 AQ-405/40177765 [2,0,0,0,0,0|2,0,0]=4 90 B11R1.16 N#C\C=C(/N)C1=CC=CC=C1 AE-641/00340010 [1,1,0,0,0,0|1,0,1]=4 91 B11R1.16 O=C(SCO)C1=CC=CC=C1 AG-826/25038008 [1,1,0,0,0,0|1,0,1]=4 92 B11R1.40 C=CC(=O)NC1=CC=CC=C1 AQ-917/42754051 [1,1,0,0,0,0|2,0,0]=4 93 B11R1.40 C\C(=N\O)NC1=CC=CC=C1 AC-907/34120003 [1,1,0,0,0,0|2,0,0]=4 94 B11R1.40 O=C(CC1=CC=CC=C1)NO AD-266/40386900 [1,1,0,0,0,0|1,0,1]=4 95 B11R1.20 CC(=O)NC1=CC=C(Br)C=C1 AG-205/03191041 [0,1,0,0,1,0|2,0,0]=4 96 B11R1.20 CC(=O)NC1=CC=C(C)C=C1 AH-034/32844007 [0,1,0,0,1,0|2,0,0]=4 97 B11R1.20 CC(=O)NC1=CC=C(Cl)C=C1 AE-562/40197438 [0,1,0,0,1,0|2,0,0]=4 98 B11R1.20 CC(=O)NC1=CC=C(I)C=C1 AH-034/05420003 [0,1,0,0,1,0|2,0,0]=4 99 B11R1.20 CC1=CC=C(CC(=O)O)C=C1 AC-509/25002068 [0,1,0,0,1,0|0,0,1]=3 100 B11R1.20 NC(=O)NC1=CC=C(Cl)C=C1 AR-360/40260054 [0,1,0,0,1,0|2,0,0]=4 101 B11R1.20 NC(=O)NC1=CC=C(I)C=C1 AE-848/33822044 [0,1,0,0,1,0|2,0,0]=4 102 B11R1.20 NC1=CC=C(CC(=O)O)C=C1 AE-508/40191188 [0,1,0,0,1,0|0,0,1]=3 103 B11R1.20 O=C(O)CC1=CC=C(F)C=C1 AH-034/32462009 [0,1,0,0,1,0|0,0,1]=3 104 B11R1.20 O=C(O)CC1=CC=C(I)C=C1 AE-641/00136032 [0,1,0,0,1,0|0,0,1]=3 105 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 AM-814/41090691 [0,1,0,0,1,0|0,0,1]=3 106 B11R1.20 O=C1C=CN(CC(=O)O)C=C1 AC-907/34118030 [0,1,0,0,1,0|1,0,1]=4 107 B11R1.36 CC(=O)N(C)C1=CC=CC=C1 AD-266/40232951 [0,1,0,0,1,0|2,0,0]=4 108 B11R1.36 NC(=O)C(N)C1=CC=CC=C1 AC-907/25014212 [0,1,0,0,1,0|1,0,1]=4 109 B11R1.36 NC(=O)C(O)C1=CC=CC=C1 AI-942/25034561 [0,1,0,0,1,0|1,0,1]=4 110 B11R1.36 O=C(O)C(=O)C1=CC=CC=C1 AH-034/32845038 [0,1,0,0,1,0|0,0,0]=2 111 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 AE-562/40233036 [0,1,0,0,1,0|0,0,1]=3 112 B11R1.86 CC(=O)NC1=C(F)C=CC=C1 AE-562/40169431 [0,1,0,0,1,0|2,0,0]=4 113 B11R1.86 CC(=O)NC1=C(O)C=CC=C1 AG-996/01589028 [0,1,0,0,1,0|2,0,0]=4 114 B11R1.86 CC(=O)NC1=CC=CC=C1Br AI-942/04429053 [0,1,0,0,1,0|2,0,0]=4 115 B11R1.86 CC(=O)NC1=CC=CC=C1N AE-641/00627026 [0,1,0,0,1,0|2,0,0]=4 116 B11R1.86 CC1=C(CC(=O)O)C=CC=C1 AC-509/25002066 [0,1,0,0,1,0|0,0,1]=3 117 B11R1.86 CC1=C(NC(N)=O)C=CC=C1 AR-360/41705362 [0,1,0,0,1,0|2,0,0]=4 118 B11R1.86 O=C(O)CN1C=CC=CC1=O AO-840/42718085 [0,1,0,0,1,0|1,0,1]=4 119 B11R1.157 CC(=O)NC1=CC(Cl)=CC=C1 AQ-012/40326599 [0,1,0,0,1,0|2,0,0]=4 120 B11R1.157 CC(=O)NC1=CC(I)=CC=C1 AE-562/43245133 [0,1,0,0,1,0|2,0,0]=4 121 B11R1.157 CC(=O)NC1=CC=CC(N)=C1 AE-562/40191150 [0,1,0,0,1,0|2,0,0]=4 122 B11R1.157 NC(=O)CC1=CC=CC(F)=C1 AE-562/43460575 [0,1,0,0,1,0|1,0,1]=4 123 B11R1.157 NC1=CC(CC(=O)O)=CC=C1 AE-562/43460501 [0,1,0,0,1,0|0,0,1]=3 124 B11R1.157 O=C(O)CC1=CC(Cl)=CC=C1 AC-509/25001994 [0,1,0,0,1,0|0,0,1]=3 125 B11R1.157 O=C(O)CC1=CC(F)=CC=C1 AC-509/25002041 [0,1,0,0,1,0|0,0,1]=3 126 B11R1.157 O=C(O)CC1=CC=CC(Br)=C1 AE-562/43460499 [0,1,0,0,1,0|0,0,1]=3 127 B11R1.157 O=C(O)CC1=CC=CC(I)=C1 AE-562/43460505 [0,1,0,0,1,0|0,0,1]=3 128 B11R1.157 O=C(O)CC1=CC=CC(O)=C1 AE-562/43460507 [0,1,0,0,1,0|0,0,1]=3 129 B11R1.509 O=S(=O)(O)CC1=CC=CC=C1 AL-398/25017056 [0,1,0,0,1,0|1,0,1]=4 130 B11R1.25 COC(=O)\C=C\C1=CC=CS1 AE-562/40245922 [0,1,0,0,1,0|1,0,0]=3 131 B11R1.75 CC1=CC=C(\C=C\C(=O)O)O1 AH-034/11364010 [0,1,0,0,1,0|1,0,0]=3 132 B11R1.75 O=C(O)\C=C\C1=CSC(Cl)=C1 AI-942/25034338 [0,1,0,0,1,0|1,0,0]=3 133 B13R1.45 C\C(=N/NC(N)=O)C1=CC=CC=C1 AE-641/00375019 [0,1,0,0,0,1|2,0,0]=4 134 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=C1 AC-907/25014276 [0,1,0,0,0,1|0,0,1]=3 135 B13R1.45 O=C(O)CNC(=S)C1=CC=CC=C1 CS-003/03982059 [0,1,0,0,0,1|0,0,1]=3 136 B13R1.45 O=C(O)\C=C\C(=O)C1=CC=CC=C1 AE-641/02009001 [0,1,0,0,0,1|0,0,0]=2 137 B13R1.149 O=C(O)CCOC1=CC=CC(Cl)=C1 AN-584/13156516 [0,1,0,0,0,1|0,0,2]=4 138 B13R1.158 O=C(O)CCOC1=CC=CC=C1Cl AJ-087/13156515 [0,1,0,0,0,1|0,0,2]=4 139 B13R1.348 CC(=O)C\C(C)=N/C1=CC=CC=C1 AE-641/02440019 [0,1,0,0,0,1|1,0,1]=4 140 B13R1.348 CN(CC(=O)O)CC1=CC=CC=C1 AO-365/43467503 [0,1,0,0,0,1|0,0,2]=4 141 B13R1.513 NC(=O)N\N=C\C1=CC=C(Cl)C=C1 AN-308/40151982 [0,1,0,0,0,1|2,0,0]=4 142 B13R1.513 O=C(O)CCOC1=CC=C(Br)C=C1 AN-829/13156514 [0,1,0,0,0,1|0,0,2]=4 143 B13R1.3 CCC1=CC=C(OCC(=O)O)C=C1 AN-329/40640794 [0,2,0,0,0,0|1,0,1]=4 144 B13R1.3 COC1=CC=C(NCC(=O)O)C=C1 AF-399/33330033 [0,2,0,0,0,0|1,0,1]=4 145 B13R1.3 COC1=CC=C(OCC(=O)O)C=C1 AC-907/25014254 [0,2,0,0,0,0|1,0,1]=4 146 B13R1.3 COC1=CC=C(\C=C\C(=O)O)C=C1 AE-641/00135031 [0,2,0,0,0,0|0,0,0]=2 147 B13R1.3 COC1=CC=C(\C=C\C(C)=O)C=C1 AF-962/00512033 [0,2,0,0,0,0|1,0,0]=3 148 B13R1.3 COC1=CC=C(\C=C\S(C)=O)C=C1 AK-823/41252408 [0,2,0,0,0,0|2,0,0]=4 149 B13R1.3 CSC1=CC=C(OCC(=O)O)C=C1 AG-664/25003434 [0,2,0,0,0,0|1,0,1]=4 150 B13R1.3 CSC1=CC=C(\C=C\C(=O)O)C=C1 AA-768/25019001 [0,2,0,0,0,0|0,0,0]=2 151 B13R1.3 N#CC1=CC=C(CCC(=O)O)C=C1 AE-562/43460518 [0,2,0,0,0,0|0,0,2]=4 152 B13R1.3 N#CC1=CC=C(OCC(=O)O)C=C1 AE-562/41475915 [0,2,0,0,0,0|1,0,1]=4 153 B13R1.3 N#CC1=CC=C(\C=C/[N+](=O)[O-])C=C1 AN-308/25123006 [0,2,0,0,0,0|1,0,1]=4 154 B13R1.3 N#CC1=CC=C(\C=C\C(=O)O)C=C1 AG-664/01337012 [0,2,0,0,0,0|0,0,0]=2 155 B13R1.3 NCC1=CC=C(CCC(=O)O)C=C1 AE-562/43458702 [0,2,0,0,0,0|0,0,2]=4 156 B13R1.3 O=CC1=CC=C(OCC(=O)O)C=C1 AG-205/04819042 [0,2,0,0,0,0|1,0,1]=4 157 B13R1.14 COC(=O)C#CC1=CC=C(Cl)C=C1 AE-562/12222058 [0,2,0,0,0,0|0,0,2]=4 158 B13R1.14 COC(=O)\C=C\C1=CC=C(Br)C=C1 AB-131/40027014 [0,2,0,0,0,0|0,0,0]=2 159 B13R1.14 COC(=O)\C=C\C1=CC=C(C)C=C1 AG-205/06379040 [0,2,0,0,0,0|0,0,0]=2 160 B13R1.14 COC(=O)\C=C\C1=CC=C(O)C=C1 AG-690/03019022 [0,2,0,0,0,0|0,0,0]=2 161 B13R1.14 NNC(=O)\C=C\C1=CC=C(O)C=C1 AO-289/42804179 [0,2,0,0,0,0|1,0,0]=3 162 B13R1.132 CC1=CC=C(C(C)CC(=O)O)C=C1 AE-562/40987650 [0,2,0,0,0,0|0,0,2]=4 163 B13R1.133 CC(OC1=CC=C(Cl)C=C1)C(=O)O AN-329/13156508 [0,2,0,0,0,0|1,0,1]=4 164 B13R1.133 CS(=O)\C(Cl)=C/C1=CC=C(Br)C=C1 AK-823/41252377 [0,2,0,0,0,0|2,0,0]=4 165 B13R1.133 C\C(=C/C1=CC=C(O)C=C1)[N+](=O)[O-] AN-308/40653884 [0,2,0,0,0,0|1,0,1]=4 166 B13R1.164 CC1=CC=C(OCC(=O)O)C(Br)=C1 AN-329/40869003 [0,2,0,0,0,0|1,0,1]=4 167 B13R1.164 CC1=CC=C(OCC(=O)O)C(C)=C1 AN-329/06063045 [0,2,0,0,0,0|1,0,1]=4 168 B13R1.164 O=C(O)COC1=CC=C(Br)C=C1Cl AE-848/36229023 [0,2,0,0,0,0|1,0,1]=4 169 B13R1.164 O=C(O)COC1=CC=C(Br)C=C1F AN-584/43507468 [0,2,0,0,0,0|1,0,1]=4 170 B13R1.511 CC1=CC(OCC(=O)O)=CC=C1Br AN-329/41044346 [0,2,0,0,0,0|1,0,1]=4 171 B13R1.511 CC1=CC(OCC(=O)O)=CC=C1Cl AN-329/40159148 [0,2,0,0,0,0|1,0,1]=4 172 B13R1.42 CCOC(=O)\C=N\C1=CC=CC=C1 AB-321/43115237 [0,2,0,0,0,0|1,0,0]=3 173 B13R1.135 COC(=O)C(N)CC1=CC=CC=C1 AE-641/02458037 [0,2,0,0,0,0|0,0,2]=4 174 B13R1.528 COC(=O)C#CC1=C(Cl)C=CC=C1 AE-562/12222054 [0,2,0,0,0,0|0,0,2]=4 175 B13R1.202 C\C(=C/C1=CC=CC=C1Cl)C(=O)O AE-508/43284223 [0,2,0,0,0,0|0,0,0]=2 176 B13R1.418 N#C\C(=C/C1=CC=CC=C1)C(=O)O AF-213/30142035 [0,2,0,0,0,0|0,0,0]=2 177 B13R1.1073 CC(C)(CC1=CC=CC=C1)C(=O)O AQ-917/42754496 [0,2,0,0,0,0|0,0,2]=4 178 B13R1.347 CC(C)(CC(=O)O)C1=CC=CC=C1 AE-562/40987648 [0,2,0,0,0,0|0,0,2]=4 179 B13R1.352 CS(=O)(=O)\C=C(/I)C1=CC=CC=C1 AO-164/42302625 [0,2,0,0,0,0|1,0,1]=4 180 B13R1.713 O=CN(CC(=O)O)C1=CC=CC=C1 AQ-917/42754052 [0,2,0,0,0,0|1,0,1]=4 181 B13R1.90 COC1=C(OCC(=O)O)C=CC=C1 AC-907/25014253 [0,2,0,0,0,0|1,0,1]=4 182 B13R1.90 COC1=CC=CC=C1CCC(=O)O AT-051/43422775 [0,2,0,0,0,0|0,0,2]=4 183 B13R1.90 N#CC1=C(\C=C\C(=O)O)C=CC=C1 AE-562/43458837 [0,2,0,0,0,0|0,0,0]=2 184 B13R1.90 O=CC1=C(OCC(=O)O)C=CC=C1 AE-848/00904006 [0,2,0,0,0,0|1,0,1]=4 185 B13R1.150 O=C(O)\C=C\C1=C(F)C(F)=CC=C1 AT-419/43492645 [0,2,0,0,0,0|0,0,0]=2 186 B13R1.893 CC1=CC(OCC(=O)O)=C(C)C=C1 AN-329/41081002 [0,2,0,0,0,0|1,0,1]=4 187 B13R1.893 O=C(O)\C=C\C1=CC(O)=CC=C1O AR-683/43306427 [0,2,0,0,0,0|0,0,0]=2 188 B13R1.3787 O=C(O)\C=C\C1=C(F)C=CC=C1F AT-419/43492647 [0,2,0,0,0,0|0,0,0]=2 189 B13R1.643 COC1=CC(SCC(=O)O)=CC=C1 AN-967/25120027 [0,2,0,0,0,0|1,0,1]=4 190 B13R1.643 COC1=CC(\C=C\C(=O)O)=CC=C1 AE-848/02128047 [0,2,0,0,0,0|0,0,0]=2 191 B13R1.643 COC1=CC=CC(\C=C\[N+](=O)[O-])=C1 AE-848/00888055 [0,2,0,0,0,0|1,0,1]=4 192 B13R1.643 NCC1=CC(CCC(=O)O)=CC=C1 AE-562/43458701 [0,2,0,0,0,0|0,0,2]=4 193 B13R1.3420 CC1=CC(C)=CC(OCC(=O)O)=C1 AE-848/01262064 [0,2,0,0,0,0|1,0,1]=4 194 B13R1.3420 CC1=CC(C)=CC(\C=C\C(=O)O)=C1 AE-562/43460559 [0,2,0,0,0,0|0,0,0]=2 195 B13R1.3420 O=C(O)CCC1=CC(Cl)=CC(Cl)=C1 AJ-087/41885624 [0,2,0,0,0,0|0,0,2]=4 196 B13R1.3420 O=C(O)\C=C\C1=CC(Cl)=CC(Cl)=C1 AN-584/43408166 [0,2,0,0,0,0|0,0,0]=2 197 B13R1.3420 O=C(O)\C=C\C1=CC(F)=CC(F)=C1 AT-419/43492646 [0,2,0,0,0,0|0,0,0]=2 198 B11R1.53 CCC1=CC=CC=C1C(=O)O AE-562/43460169 [0,0,1,1,0,0|0,0,2]=4 199 B11R1.53 CNC1=C(C(=O)O)C=CC=C1 AP-065/40180106 [0,0,1,1,0,0|1,0,1]=4 200 B11R1.53 COC1=CC=CC=C1C(=O)O AQ-344/40173719 [0,0,1,1,0,0|1,0,1]=4 201 B11R1.53 O=CC1=CC=CC=C1C(=O)O AP-065/41884108 [0,0,1,1,0,0|1,0,0]=3 202 B11R1.266 COC1=CC=CC(C(=O)O)=C1 AE-562/40299919 [0,0,1,1,0,0|1,0,1]=4 203 B11R1.266 N#CC1=CC(C(=O)O)=CC=C1 AE-562/43460675 [0,0,1,1,0,0|1,0,1]=4 204 B11R1.266 NCC1=CC(C(=O)O)=CC=C1 AE-562/43286922 [0,0,1,1,0,0|1,0,1]=4 205 B11R1.266 O=C(O)C1=CC(CCl)=CC=C1 AC-907/25014203 [0,0,1,1,0,0|1,0,1]=4 206 B11R1.266 O=CC1=CC(C(=O)O)=CC=C1 AE-562/40256786 [0,0,1,1,0,0|1,0,0]=3 207 B11R1.167 CC1=C(C(=O)O)C=C(Cl)C=C1 AE-562/43460141 [0,0,1,1,0,0|1,0,1]=4 208 B11R1.167 CC1=C(C(=O)O)C=C(F)C=C1 AE-562/43450613 [0,0,1,1,0,0|1,0,1]=4 209 B11R1.167 CC1=C(C(=O)O)C=C(O)C=C1 AR-362/43519187 [0,0,1,1,0,0|1,0,1]=4 210 B11R1.167 CC1=CC(C(=O)O)=C(C)C=C1 AE-562/43387288 [0,0,1,1,0,0|0,0,2]=4 211 B11R1.167 CC1=CC=C(Br)C=C1C(=O)O AE-562/43287083 [0,0,1,1,0,0|1,0,1]=4 212 B11R1.167 NC1=C(C(=O)O)C=C(Br)C=C1 AH-357/04348043 [0,0,1,1,0,0|2,0,0]=4 213 B11R1.167 NC1=C(C(=O)O)C=C(Cl)C=C1 AE-562/40238138 [0,0,1,1,0,0|2,0,0]=4 214 B11R1.167 NC1=CC=C(O)C=C1C(=O)O AN-584/43417488 [0,0,1,1,0,0|2,0,0]=4 215 B11R1.167 O=C(O)C1=C(O)C=CC(Br)=C1 AB-016/30008027 [0,0,1,1,0,0|2,0,0]=4 216 B11R1.167 O=C(O)C1=CC(F)=CC=C1Br AS-710/43364253 [0,0,1,1,0,0|2,0,0]=4 217 B11R1.167 O=C(O)C1=CC(O)=CC=C1O AE-562/40605400 [0,0,1,1,0,0|2,0,0]=4 218 B11R2.1 CC1=CNC2=C1C=CC=C2 AP-065/40182778 [1,0,0,1,0,0|2,0,0]=4 219 B11R2.1 O=C1NSC2=C1C=CC=C2 AE-562/40151878 [1,0,0,1,0,0|2,0,0]=4 220 B11R2.1 O=C1OCC2=C1C=CC=C2 AE-641/30105043 [1,0,0,1,0,0|1,0,1]=4 221 B11R2.1 O=C1SCC2=CC=CC=C12 AE-641/25069001 [1,0,0,1,0,0|1,0,1]=4 222 B11R2.20 C1=CC2=C(C=C1)N=CC=C2 AE-641/01960007 [1,0,0,1,0,0|1,0,0]=3 223 B11R2.20 C1=CC2=CC=NC=C2C=C1 AC-907/25014235 [1,0,0,1,0,0|2,0,0]=4 224 B11R2.20 C1=CC2=CN=CN=C2C=C1 AC-907/25014195 [1,0,0,1,0,0|2,0,0]=4 225 B11R2.10 O=C1CC2=C(C=CC=C2)N1 AH-034/32845032 [0,0,0,1,1,0|1,0,1]=4 226 B11R2.10 O=C1NC2=C(C=CC=C2)N1 AF-834/25000580 [0,0,0,1,1,0|2,0,0]=4 227 B11R2.10 O=C1NC2=C(C=CC=C2)O1 AG-996/01589042 [0,0,0,1,1,0|1,0,0]=3 228 B11R2.10 OC1=NC2=C(C=CC=C2)S1 AE-018/31855052 [0,0,0,1,1,0|1,1,0]=4 229 B13R2.10 CC1=CNC(C2=CC=CC=C2)=N1 AC-907/25014273 [0,0,0,1,0,1|2,0,0]=4 230 B13R2.10 CC1=NC(C2=CC=CC=C2)=CS1 AE-848/01007019 [0,0,0,1,0,1|2,0,0]=4 231 B13R2.10 FC1=CC=C(C2=CC=CC=C2)S1 AI-942/13331308 [0,0,0,1,0,1|1,1,0]=4 232 B13R2.10 NC1=NC(C2=CC=CC=C2)=CS1 AA-516/30011003 [0,0,0,1,0,1|2,0,0]=4 233 B13R2.10 OC1=NNC(C2=CC=CC=C2)=C1 AE-842/00015039 [0,0,0,1,0,1|2,0,0]=4 234 B13R2.10 SC1=NN=C(C2=CC=CC=C2)O1 AF-615/00099026 [0,0,0,1,0,1|1,1,0]=4 235 B13R2.72 CC(=O)C1=CNC2=C1C=CC=C2 AN-068/40177744 [0,0,0,1,0,1|1,0,0]=3 236 B13R2.155 NC1=CC=C2C=CC(N)=CC2=C1 AQ-012/40222987 [0,1,0,1,0,0|2,0,0]=4 237 B13R2.32 CN1C(=N)C=CC2=C1C=CC=C2 AC-907/34123035 [0,1,0,1,0,0|2,0,0]=4 238 B13R2.32 CN1C(=O)C=CC2=C1C=CC=C2 AO-840/40233519 [0,1,0,1,0,0|1,0,0]=3 239 B13R2.32 CN1C(=O)C=NC2=C1C=CC=C2 AK-830/25033058 [0,1,0,1,0,0|2,0,0]=4 240 B13R2.32 C[N+]1=C2C=CC=CC2=CC=C1N AC-907/25005040 [0,1,0,1,0,0|2,0,0]=4 241 B13R2.32 NC1=C2C=CC=C[N+]2=CC=C1O AN-584/43493901 [0,1,0,1,0,0|2,0,0]=4 242 B13R2.32 OC1=C(Br)C2=C(C=CC=C2)C=C1 AE-641/30106059 [0,1,0,1,0,0|1,0,0]=3 243 B13R2.32 OC1=C(Br)C=C[N+]2=C1C=CC=C2 AO-840/42718046 [0,1,0,1,0,0|2,0,0]=4 244 B13R2.32 OC1=C2C=CC=CC2=NC=C1Br AF-753/00295028 [0,1,0,1,0,0|2,0,0]=4 245 B13R2.57 BrCC1=CC=C2C=CC=CC2=C1 AB-131/40897099 [0,1,0,1,0,0|2,0,0]=4 246 B13R2.57 COC1=CC=C2C=CC=CC2=C1 AF-676/00077048 [0,1,0,1,0,0|1,0,0]=3 247 B13R2.57 CSC1=CC2=CC=CC=C2C=C1 AB-131/42000802 [0,1,0,1,0,0|1,1,0]=4 248 B13R2.57 N#CC1=CC2=C(C=CC=C2)C=C1 AH-034/11364159 [0,1,0,1,0,0|2,0,0]=4 249 B13R2.57 OCC1=CC2=C(C=CC=C2)C=N1 AE-477/25037015 [0,1,0,1,0,0|2,0,0]=4 250 B13R2.57 OCC1=CNC2=C(C=CC=C2)N1 AE-641/25069029 [0,1,0,1,0,0|2,0,0]=4 251 B13R2.369 NC1=CC2=C(C=CC=C2)OC1=O AN-829/06063010 [0,1,0,1,0,0|0,0,0]=2 252 B13R2.369 NC1=CC2=CC=CC=C2C=C1Br AE-562/12222093 [0,1,0,1,0,0|2,0,0]=4 253 B13R2.369 NC1=NC2=C(C=CC=C2)NC1=O AN-970/40217538 [0,1,0,1,0,0|2,0,0]=4 254 B13R2.369 O=C1OC2=C(C=CC=C2)C=C1O AN-829/40355682 [0,1,0,1,0,0|0,0,0]=2 255 B13R2.369 OC1=NC2=C(C=CC=C2)N=C1O AA-516/30054034 [0,1,0,1,0,0|2,0,0]=4 256 B13R2.435 CC(=O)C1=CC2=C(C=CC=C2)O1 AB-337/25021054 [0,1,0,1,0,0|1,0,0]=3 257 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)N1 AQ-776/40177767 [0,1,0,1,0,0|0,0,0]=2 258 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)O1 AN-278/25047013 [0,1,0,1,0,0|0,0,0]=2 259 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)[Se]1 AI-942/25034640 [0,1,0,1,0,0|0,0,0]=2 260 B13R2.435 O=C(O)C1=CC2=CC=CN=C2N1 AR-527/43461189 [0,1,0,1,0,0|1,0,0]=3 261 B13R2.435 O=C(O)C1=CN2C=CC=CC2=C1 AE-473/30684054 [0,1,0,1,0,0|1,0,0]=3 262 B13R2.435 O=C(O)C1CC2=C(C=CC=C2)C1 AQ-917/42754024 [0,1,0,1,0,0|0,0,2]=4 263 B13R2.328 BrC1=CC(Br)=C2C=CC=CC2=N1 AC-907/34106024 [0,1,0,1,0,0|2,0,0]=4 264 B13R2.328 CC1=C2C=CC=CC2=NC(Cl)=C1 AE-848/06107050 [0,1,0,1,0,0|2,0,0]=4 265 B13R2.328 CC1=CC(O)=C2C=CC=CC2=N1 AH-034/32851007 [0,1,0,1,0,0|2,0,0]=4 266 B13R2.328 CC1=NC2=C(C=CC=C2)C(N)=C1 AE-848/31925049 [0,1,0,1,0,0|2,0,0]=4 267 B13R2.328 ClC1=CC(Cl)=C2C=CC=CC2=N1 AF-753/00295002 [0,1,0,1,0,0|2,0,0]=4 268 B13R2.328 O=C1NC(=O)C2=C(C=CC=C2)N1 AH-740/03933012 [0,1,0,1,0,0|2,0,0]=4 269 B13R2.328 O=C1NC(=O)C2=C(C=CC=C2)O1 AJ-333/25006179 [0,1,0,1,0,0|1,0,0]=3 270 B13R2.328 O=C1NC2=C(C=CC=C2)C(=O)O1 AE-641/30105041 [0,1,0,1,0,0|2,0,0]=4 271 B13R2.328 OC1=CC(Cl)=C2C=CC=CC2=N1 AF-753/00295025 [0,1,0,1,0,0|1,0,0]=3 272 B13R2.328 OC1=CC(O)=C2C=CC=CC2=N1 AC-907/25014240 [0,1,0,1,0,0|1,0,0]=3 273 B13R2.12159 O=S1(=O)C=C(Br)C2=C1C=CC=C2 AE-641/00796037 [0,1,0,1,0,0|1,0,1]=4 274 B13R2.5179 O=C1C=COC2=C1C=CC(O)=C2 AN-829/40236618 [0,1,0,1,0,0|2,0,0]=4 275 B13R2.3683 CC1=CC2=CC=C(Br)N=C2C=C1 AE-848/11243588 [0,1,0,1,0,0|2,0,0]=4 276 B13R2.3683 CC1=NC2=CC=C(F)C=C2C=C1 AR-683/43232140 [0,1,0,1,0,0|2,0,0]=4 277 B9R1.6 CC(=O)C1=CN=CC=C1 AE-641/00369001 [0,0,0,0,2,0|2,0,0]=4 278 B9R1.6 N=C(N)C1=CC=CC=C1 AE-641/30119009 [0,0,0,0,2,0|2,0,0]=4 279 B9R1.6 NC(=O)C1=CN=CC=C1 AC-907/25014114 [0,0,0,0,2,0|2,0,0]=4 280 B9R1.6 NC(=S)C1=CC=CC=C1 AO-840/40187641 [0,0,0,0,2,0|1,1,0]=4 281 B9R1.6 O=C(O)C1=CC=NC=C1 AC-907/25014347 [0,0,0,0,2,0|1,0,0]=3 282 B9R1.6 O=C(O)C1=CN=CC=C1 AC-907/25014105 [0,0,0,0,2,0|1,0,0]=3 283 B9R1.6 O=C(O)C1=CN=CC=N1 AB-131/40186434 [0,0,0,0,2,0|2,0,0]=4 284 B9R1.6 O=C(O)C1=CN=CN=C1 AA-516/30012043 [0,0,0,0,2,0|2,0,0]=4 285 B9R1.6 O=C(O)C1=NC=NC=C1 AE-641/00364016 [0,0,0,0,2,0|2,0,0]=4 286 B9R1.6 O=C([O-])C1=CN=CC=C1 AC-907/25004509 [0,0,0,0,2,0|1,0,1]=4 287 B9R1.13 O=C(O)CC1=COC=C1 AI-942/25034203 [0,0,0,0,2,0|1,0,1]=4 288 B9R1.13 O=C(O)CC1=CSC=C1 AI-942/25034212 [0,0,0,0,2,0|1,0,1]=4 289 B13R1.337 CS(=O)\C=C\C=C\C1=CC=CC=C1 AK-823/41252409 [0,0,0,0,0,2|2,0,0]=4 290 B13R1.337 O=C(O)CCCCC1=CC=CC=C1 AE-641/04221028 [0,0,0,0,0,2|0,0,2]=4