0 B10R1.15 C#C[C@@H](O)C1=CC=CC=C1 4800AJ [0,0,0,0,0,0|2,0,1]=3 1 B10R1.15 C#C[C@H](O)C1=CC=CC=C1 4836AJ [0,0,0,0,0,0|2,0,1]=3 2 B10R1.15 C=C(CC)C1=CC=CC=C1 0460AB [0,0,0,0,0,0|1,0,2]=3 3 B10R1.15 C=CC(=O)C1=CC=CC=C1 1968AC [0,0,0,0,0,0|2,0,2]=4 4 B10R1.15 CCC(Cl)C1=CC=CC=C1 1017AL [0,0,0,0,0,0|2,0,0]=2 5 B10R1.15 CCC(N)C1=CC=CC=C1 8188AD [0,0,0,0,0,0|2,0,0]=2 6 B10R1.15 CCC(N)C1=CC=CN=C1 4943AJ [0,0,0,0,0,0|3,0,0]=3 7 B10R1.15 CCC(N)C1=CC=CN=C1 4945AJ [0,0,0,0,0,0|3,0,0]=3 8 B10R1.15 CCC(N)C1=CC=NC=C1 4998AJ [0,0,0,0,0,0|3,0,0]=3 9 B10R1.15 CCN(C)C1=CC=CC=N1 5048AL [0,0,0,0,0,0|3,0,0]=3 10 B10R1.15 CC[C@@H](O)C1=CC=CC=C1 7435AJ [0,0,0,0,0,0|2,0,0]=2 11 B10R1.15 CC[C@H](O)C1=CC=CC=C1 7483AJ [0,0,0,0,0,0|2,0,0]=2 12 B10R1.15 CN[C@H](C)C1=CC=CC=C1 O017 [0,0,0,0,0,0|2,0,0]=2 13 B10R1.15 C[C@H](CN)C1=CC=CC=C1 U641 [0,0,0,0,0,0|0,0,0]=0 14 B10R1.15 C\C(=N/N)C1=CC=CC=C1 1678AL [0,0,0,0,0,0|1,0,1]=2 15 B10R1.15 FC(CBr)C1=CC=CC=C1 9366AA [0,0,0,0,0,0|2,0,0]=2 16 B10R1.15 NC(CF)C1=CC=CC=C1 0514AQ [0,0,0,0,0,0|2,0,0]=2 17 B10R1.15 NC(CO)C1=CC=CN=C1 1473AJ [0,0,0,0,0,0|3,0,0]=3 18 B10R1.15 NC(CO)C1=CC=CN=C1 W5825 [0,0,0,0,0,0|3,0,0]=3 19 B10R1.15 NC(CO)C1=CC=NC=C1 1467AJ [0,0,0,0,0,0|3,0,0]=3 20 B10R1.15 NCC(=O)C1=CC=CN=C1 1930AJ [0,0,0,0,0,0|2,0,1]=3 21 B10R1.15 NCC(=O)C1=CC=NC=C1 7230AB [0,0,0,0,0,0|2,0,1]=3 22 B10R1.15 NCC(=O)C1=CN=CC=C1 1455AJ [0,0,0,0,0,0|2,0,1]=3 23 B10R1.15 NCC(N)C1=CC=CC=C1 8359AB [0,0,0,0,0,0|1,0,0]=1 24 B10R1.15 NCC(N)C1=CC=CC=C1 8461AA [0,0,0,0,0,0|1,0,0]=1 25 B10R1.15 NCC(O)C1=CC=CC=N1 1453AJ [0,0,0,0,0,0|2,0,0]=2 26 B10R1.15 NCC(O)C1=CC=CN=C1 5133AH [0,0,0,0,0,0|2,0,0]=2 27 B10R1.15 NCC(O)C1=CC=NC=C1 1457AJ [0,0,0,0,0,0|2,0,0]=2 28 B10R1.15 NCC(O)C1=NC=CC=C1 9384AJ [0,0,0,0,0,0|2,0,0]=2 29 B10R1.15 NC[C@H](O)C1=CC=CN=C1 Z3832 [0,0,0,0,0,0|2,0,0]=2 30 B10R1.15 O=C(CBr)C1=CC=NC=C1 9348AB [0,0,0,0,0,0|3,0,1]=4 31 B10R1.15 O=C(CBr)C1=CN=CC=C1 9347AB [0,0,0,0,0,0|3,0,1]=4 32 B10R1.15 O=C(N[O-])C1=CC=CC=C1 8985AL [0,0,0,0,0,0|3,0,1]=4 33 B10R1.15 OC(CBr)C1=CC=CC=C1 W4218 [0,0,0,0,0,0|2,0,0]=2 34 B10R1.15 O\N=C(\Cl)C1=CC=CC=C1 O705 [0,0,0,0,0,0|3,0,1]=4 35 B9R1.6 CC(Cl)C1=CC=CC=C1 U237 [1,0,0,0,0,0|1,0,0]=2 36 B9R1.6 CC(Cl)C1=NC=CC=C1 1002AJ [1,0,0,0,0,0|2,0,0]=3 37 B9R1.6 CC(N)C1=CN=CN=C1 9547AH [1,0,0,0,0,0|2,0,0]=3 38 B9R1.6 CN(C)C1=NC=CC=C1 8318AB [1,0,0,0,0,0|2,0,0]=3 39 B9R1.6 CN(C)C1=NC=NC=C1 3385AB [1,0,0,0,0,0|3,0,0]=4 40 B9R1.6 CN(N)C1=CN=CC=N1 1013AJ [1,0,0,0,0,0|3,0,0]=4 41 B9R1.6 CN(N)C1=NC=CC=C1 Y9071 [1,0,0,0,0,0|2,0,0]=3 42 B9R1.6 CP(C)C1=CC=CC=C1 7271AL [1,0,0,0,0,0|1,0,0]=2 43 B9R1.6 CS(=O)C1=NC=CC=C1 7769AJ [1,0,0,0,0,0|3,0,0]=4 44 B9R1.6 C[C@@H](O)C1=CN=CC=C1 1829AC [1,0,0,0,0,0|2,0,0]=3 45 B9R1.6 C[C@H](N)C1=CC=CN=C1 2674AB [1,0,0,0,0,0|1,0,0]=2 46 B9R1.6 C[C@H](O)C1=CN=CC=C1 7054AB [1,0,0,0,0,0|2,0,0]=3 47 B9R1.6 ClB(Cl)C1=CC=CC=C1 Z8862 [1,0,0,0,0,0|3,0,0]=4 48 B9R1.6 Cl[IH2](Cl)C1=CC=CC=C1 Y1609 [1,0,0,0,0,0|3,0,0]=4 49 B9R1.6 FC(F)C1=CC=NC=C1 0239AF [1,0,0,0,0,0|3,0,0]=4 50 B9R1.6 N=C(N)C1=CC=NC=C1 4648AC [1,0,0,0,0,0|2,0,1]=4 51 B9R1.6 NC(=O)C1=CN=CC=C1 1853AE [1,0,0,0,0,0|2,0,1]=4 52 B9R1.6 O=C(Br)C1=CC=CC=C1 9276AB [1,0,0,0,0,0|2,0,1]=4 53 B9R1.6 O=C([O-])C1=CC=CC=C1 V1445 [1,0,0,0,0,0|2,0,1]=4 54 B9R1.6 O=S(O)C1=CC=CC=C1 9279AB [1,0,0,0,0,0|3,0,0]=4 55 B9R1.8 BrCCC1=CC=CC=N1 5125AB [1,0,0,0,0,0|2,0,0]=3 56 B9R1.8 CCC[N+]1=CC=CC=C1 4961AL [1,0,0,0,0,0|2,0,0]=3 57 B9R1.8 CCC[N+]1=CC=CC=C1 K559 [1,0,0,0,0,0|2,0,0]=3 58 B9R1.8 CNCC1=CC=CC=C1 3855AD [1,0,0,0,0,0|2,0,0]=3 59 B9R1.8 CNCC1=CC=CC=N1 0916AP [1,0,0,0,0,0|3,0,0]=4 60 B9R1.8 CNCC1=CC=CC=N1 7146AD [1,0,0,0,0,0|3,0,0]=4 61 B9R1.8 CNCC1=CC=NC=C1 7436AH [1,0,0,0,0,0|3,0,0]=4 62 B9R1.8 CNNC1=CC=CC=C1 V2456 [1,0,0,0,0,0|3,0,0]=4 63 B9R1.8 C\C=C\C1=CC=CC=C1 7209AE [1,0,0,0,0,0|1,0,2]=4 64 B9R1.8 ClCCC1=NC=CC=C1 X6257 [1,0,0,0,0,0|2,0,0]=3 65 B9R1.8 N#CCC1=CC=NC=C1 Z9553 [1,0,0,0,0,0|1,0,2]=4 66 B9R1.8 NCCC1=CC=CC=C1 5784AL [1,0,0,0,0,0|0,0,0]=1 67 B9R1.8 NCCC1=CN=CC=N1 1878AJ [1,0,0,0,0,0|2,0,0]=3 68 B9R1.8 NCCC1=NC=CC=N1 X3774 [1,0,0,0,0,0|2,0,0]=3 69 B9R1.8 NCCC1=NC=CN=C1 Y9352 [1,0,0,0,0,0|2,0,0]=3 70 B9R1.8 NNCC1=CN=CN=C1 2736AD [1,0,0,0,0,0|3,0,0]=4 71 B9R1.8 NOCC1=CC=CN=C1 7306AJ [1,0,0,0,0,0|2,0,0]=3 72 B9R1.8 OCCC1=CN=CN=C1 W8980 [1,0,0,0,0,0|3,0,0]=4 73 B9R1.8 SCCC1=CC=NC=C1 9519AJ [1,0,0,0,0,0|2,0,0]=3 74 B9R1.8 [C-]#[N+]CC1=CC=CC=C1 3482AH [1,0,0,0,0,0|2,0,0]=3 75 B11R1.7 CC(C)(C#N)C1=CC=NC=C1 9873AE [0,1,0,0,0,0|1,0,2]=4 76 B11R1.7 CC(O)(CN)C1=CC=CC=C1 4663AH [0,1,0,0,0,0|0,0,0]=1 77 B11R1.7 NCC(F)(F)C1=CC=CC=C1 V5700 [0,1,0,0,0,0|1,0,0]=2 78 B11R1.7 NCC(F)(F)C1=NC=CC=C1 2429AB [0,1,0,0,0,0|2,0,0]=3 79 B11R1.12 CCC(CN)C1=CC=CC=C1 V4239 [0,1,0,0,0,0|0,0,0]=1 80 B11R1.12 CCC(NN)C1=CC=CC=C1 8342AH [0,1,0,0,0,0|1,0,0]=2 81 B11R1.12 CN[C@H](CO)C1=CC=CC=C1 7034AA [0,1,0,0,0,0|1,0,0]=2 82 B11R1.12 CO[C@@H](CO)C1=CC=CC=C1 9242AA [0,1,0,0,0,0|1,0,0]=2 83 B11R1.12 NCC(CO)C1=CC=CC=C1 2344AL [0,1,0,0,0,0|0,0,0]=1 84 B11R1.16 C#CCC(N)C1=CC=CC=C1 2882AA [0,1,0,0,0,0|2,0,0]=3 85 B11R1.16 CC(CCN)C1=CC=CC=C1 2059AE [0,1,0,0,0,0|0,0,0]=1 86 B11R1.16 CCCC(N)C1=CN=CC=C1 4944AJ [0,1,0,0,0,0|3,0,0]=4 87 B11R1.16 CCCC(N)C1=NC=CC=C1 5079AC [0,1,0,0,0,0|3,0,0]=4 88 B11R1.16 CCNC(C)C1=CC=CC=C1 7343AC [0,1,0,0,0,0|1,0,0]=2 89 B11R1.16 CN(CCN)C1=CC=CC=C1 3619AL [0,1,0,0,0,0|1,0,0]=2 90 B11R1.16 CNCC(C)C1=CC=CC=C1 3764AF [0,1,0,0,0,0|0,0,0]=1 91 B11R1.16 CNCC(C)C1=CC=CC=C1 6409AE [0,1,0,0,0,0|0,0,0]=1 92 B11R1.16 CNOC(=O)C1=CC=CC=C1 8702AL [0,1,0,0,0,0|2,0,1]=4 93 B11R1.16 COC[C@@H](N)C1=CC=CC=C1 V8983 [0,1,0,0,0,0|2,0,0]=3 94 B11R1.16 COC[C@H](N)C1=CC=CC=C1 V7107 [0,1,0,0,0,0|2,0,0]=3 95 B11R1.16 ClCCC(Br)C1=CC=CC=C1 V4390 [0,1,0,0,0,0|2,0,0]=3 96 B11R1.16 N#CCC(N)C1=NC=CC=C1 Z9347 [0,1,0,0,0,0|2,0,1]=4 97 B11R1.16 NCC[C@@H](O)C1=CC=CC=C1 8991AH [0,1,0,0,0,0|1,0,0]=2 98 B11R1.16 NCC[C@H](O)C1=CC=CC=C1 9158AH [0,1,0,0,0,0|1,0,0]=2 99 B11R1.22 CC1=CC=C(C(=O)CCl)C=C1 P247 [0,1,0,0,0,0|2,0,1]=4 100 B11R1.22 CC1=CC=C(C(O)CN)C=C1 7582AB [0,1,0,0,0,0|1,0,0]=2 101 B11R1.22 CC1=CC=C(C(O)CN)C=C1 9378AJ [0,1,0,0,0,0|1,0,0]=2 102 B11R1.22 CC1=CC=C(N(C)C=O)C=C1 8372AL [0,1,0,0,0,0|2,0,1]=4 103 B11R1.22 CCC(N)C1=CC=C(C)C=C1 5656AD [0,1,0,0,0,0|2,0,0]=3 104 B11R1.22 CCC(N)C1=CC=C(Cl)C=C1 9145AE [0,1,0,0,0,0|2,0,0]=3 105 B11R1.22 CCC(N)C1=CC=C(F)C=C1 8597AC [0,1,0,0,0,0|2,0,0]=3 106 B11R1.22 CCC(N)C1=CC=C(F)C=C1 9157AE [0,1,0,0,0,0|2,0,0]=3 107 B11R1.22 CCN(N)C1=CC=C(C)C=C1 4836AL [0,1,0,0,0,0|3,0,0]=4 108 B11R1.22 CC[C@@H](N)C1=CC=C(C)C=C1 1684AB [0,1,0,0,0,0|2,0,0]=3 109 B11R1.22 CC[C@H](N)C1=CC=C(Cl)C=C1 Y6691 [0,1,0,0,0,0|2,0,0]=3 110 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 X9085 [0,1,0,0,0,0|2,0,0]=3 111 B11R1.22 COC(C)C1=CC=C(Br)C=C1 6457AE [0,1,0,0,0,0|2,0,0]=3 112 B11R1.22 C\C(=N/O)C1=CC=C(Cl)C=C1 6594AD [0,1,0,0,0,0|2,0,1]=4 113 B11R1.22 NC1=CC=C(C(=O)CBr)C=C1 2630AL [0,1,0,0,0,0|2,0,1]=4 114 B11R1.22 NCC(=O)C1=CC=C(I)C=C1 9286AB [0,1,0,0,0,0|1,0,1]=3 115 B11R1.22 NCC(O)C1=CC=C(Br)C=C1 1817AC [0,1,0,0,0,0|1,0,0]=2 116 B11R1.22 NCC(O)C1=CC=C(Br)C=C1 X4763 [0,1,0,0,0,0|1,0,0]=2 117 B11R1.22 NCC(O)C1=CC=C(Cl)C=C1 3000AE [0,1,0,0,0,0|1,0,0]=2 118 B11R1.22 NCC(O)C1=CC=C(Cl)C=C1 9601AB [0,1,0,0,0,0|1,0,0]=2 119 B11R1.22 NCC(O)C1=CC=C(F)C=C1 3928AE [0,1,0,0,0,0|1,0,0]=2 120 B11R1.22 NCC(O)C1=CC=C(F)C=C1 5412AB [0,1,0,0,0,0|1,0,0]=2 121 B11R1.22 N[C@H](CO)C1=CC=C(F)C=C1 X6771 [0,1,0,0,0,0|2,0,0]=3 122 B11R1.22 O=C(CCl)C1=CC=C(Cl)C=C1 5935AC [0,1,0,0,0,0|2,0,1]=4 123 B11R1.22 O=C(CCl)C1=CC=C(O)C=C1 9573AB [0,1,0,0,0,0|2,0,1]=4 124 B11R1.22 O=C(CF)C1=CC=C(Cl)C=C1 Y8738 [0,1,0,0,0,0|2,0,1]=4 125 B11R1.22 O=C(CO)C1=CC=C(I)C=C1 2338AC [0,1,0,0,0,0|2,0,1]=4 126 B11R1.22 OCC(Cl)C1=CC=C(Cl)C=C1 2030AL [0,1,0,0,0,0|2,0,0]=3 127 B11R1.23 CC(CO)C1=CC=CC(=O)C1 W6317 [0,1,0,0,0,0|1,0,1]=3 128 B11R1.23 CC1=CC(C(=O)CN)=CC=C1 0979AC [0,1,0,0,0,0|1,0,1]=3 129 B11R1.23 CC1=CC=CC(C(O)CN)=C1 7583AB [0,1,0,0,0,0|1,0,0]=2 130 B11R1.23 CCC(N)C1=CC(Cl)=CC=C1 2535AE [0,1,0,0,0,0|2,0,0]=3 131 B11R1.23 CCC(N)C1=CC(N)=CC=C1 1913AJ [0,1,0,0,0,0|2,0,0]=3 132 B11R1.23 CCC(N)C1=NC=CC(C)=C1 9648AC [0,1,0,0,0,0|3,0,0]=4 133 B11R1.23 CCN(C)C1=CC(N)=CC=C1 9949AH [0,1,0,0,0,0|2,0,0]=3 134 B11R1.23 CC[C@@H](N)C1=CC=CC(F)=C1 X9176 [0,1,0,0,0,0|2,0,0]=3 135 B11R1.23 CC[C@H](N)C1=CC=CC(Cl)=C1 9082AH [0,1,0,0,0,0|2,0,0]=3 136 B11R1.23 CNC(C)C1=CC=CC(Cl)=C1 W3261 [0,1,0,0,0,0|2,0,0]=3 137 B11R1.23 NC(CO)C1=CC(Cl)=CC=C1 3155AH [0,1,0,0,0,0|2,0,0]=3 138 B11R1.23 NCC(=O)C1=CC(F)=CC=C1 5755AC [0,1,0,0,0,0|1,0,1]=3 139 B11R1.23 NCC(=O)C1=CC=CC(Cl)=C1 V2280 [0,1,0,0,0,0|1,0,1]=3 140 B11R1.23 NCC(O)C1=CC(Cl)=CC=C1 2712AC [0,1,0,0,0,0|1,0,0]=2 141 B11R1.23 NCC(O)C1=CC(Cl)=CC=C1 7584AB [0,1,0,0,0,0|1,0,0]=2 142 B11R1.23 NCC(O)C1=CC(F)=CC=C1 5405AB [0,1,0,0,0,0|1,0,0]=2 143 B11R1.23 NC[C@@H](O)C1=CC=CC(Cl)=C1 X5098 [0,1,0,0,0,0|1,0,0]=2 144 B11R1.23 N[C@@H](CO)C1=CC(Cl)=CC=C1 N836 [0,1,0,0,0,0|2,0,0]=3 145 B11R1.23 O=C(CCl)C1=CC=CC(F)=C1 7664AB [0,1,0,0,0,0|2,0,1]=4 146 B11R1.23 OC[C@H](O)C1=CC=CC(Cl)=C1 X3148 [0,1,0,0,0,0|2,0,0]=3 147 B11R1.23 O[C@@H](CCl)C1=CC=CC(Cl)=C1 6985AA [0,1,0,0,0,0|2,0,0]=3 148 B11R1.36 CC(=O)C(C)C1=CC=CC=C1 2006AC [0,1,0,0,0,0|1,0,1]=3 149 B11R1.36 CC(=O)C(N)C1=CC=CC=C1 Y8969 [0,1,0,0,0,0|2,0,1]=4 150 B11R1.36 CC(=O)C(O)C1=CC=CC=C1 5136AJ [0,1,0,0,0,0|2,0,1]=4 151 B11R1.36 CC(C)C(N)C1=CC=CC=C1 1780AB [0,1,0,0,0,0|2,0,0]=3 152 B11R1.36 CC(C)C(N)C1=CC=CN=C1 1772AJ [0,1,0,0,0,0|3,0,0]=4 153 B11R1.36 CC(C)C(N)C1=CC=NC=C1 1775AJ [0,1,0,0,0,0|3,0,0]=4 154 B11R1.36 CC(C)[C@@H](N)C1=CC=CC=C1 7205AB [0,1,0,0,0,0|2,0,0]=3 155 B11R1.36 CC(C)[C@H](O)C1=CC=CC=C1 N145 [0,1,0,0,0,0|2,0,0]=3 156 B11R1.36 CN(C(=O)Cl)C1=CC=CC=C1 Y1505 [0,1,0,0,0,0|2,0,1]=4 157 B11R1.36 NC(=O)C(Cl)C1=CC=CC=C1 9111AE [0,1,0,0,0,0|1,0,1]=3 158 B11R1.36 O=C(C1=CC=CC=C1)C(Cl)Cl L006 [0,1,0,0,0,0|2,0,1]=4 159 B11R1.36 O=C(C1=CC=CC=C1)C(F)F 2418AE [0,1,0,0,0,0|2,0,1]=4 160 B11R1.36 O=C(O)C(F)C1=CC=CC=C1 7920AA [0,1,0,0,0,0|2,0,1]=4 161 B11R1.222 CC1=C(C(O)CN)C=CC=C1 5054AH [0,1,0,0,0,0|1,0,0]=2 162 B11R1.222 CC1=CC=CC=C1C(=O)CN X6576 [0,1,0,0,0,0|1,0,1]=3 163 B11R1.222 CC1=CC=CC=C1N(C)C=O 8371AL [0,1,0,0,0,0|2,0,1]=4 164 B11R1.222 CCC(=O)C1=C(N)C=CC=C1 9392AH [0,1,0,0,0,0|2,0,1]=4 165 B11R1.222 CCN(N)C1=C(C)C=CC=C1 4838AL [0,1,0,0,0,0|3,0,0]=4 166 B11R1.222 CC[C@@H](N)C1=CC=CC=C1C W8813 [0,1,0,0,0,0|2,0,0]=3 167 B11R1.222 CC[C@H](N)C1=CC=CC=C1Cl W8965 [0,1,0,0,0,0|2,0,0]=3 168 B11R1.222 CNC(C)C1=CC=CC=C1Cl W6646 [0,1,0,0,0,0|2,0,0]=3 169 B11R1.222 NCC(O)C1=CC=CC=C1F 3587AB [0,1,0,0,0,0|1,0,0]=2 170 B11R2.1 CC1=COC2=CC=CC=C12 W4465 [0,0,0,1,0,0|1,0,2]=4 171 B11R2.1 CC1=NNC2=NC=CC=C12 SYNMC0922 [0,0,0,1,0,0|2,0,1]=4 172 B11R2.1 NC1CCC2=CC=CN=C21 3374AJ [0,0,0,1,0,0|3,0,0]=4 173 B11R2.1 NC1COC2=CC=CC=C21 1367AJ [0,0,0,1,0,0|2,0,0]=3 174 B11R2.1 NC1COC2=CC=CC=C21 4904AH [0,0,0,1,0,0|2,0,0]=3 175 B11R2.1 N[C@H]1COC2=C1C=CC=C2 1110AL [0,0,0,1,0,0|2,0,0]=3 176 B11R2.1 OC1COC2=C1C=CC=N2 7095AA [0,0,0,1,0,0|3,0,0]=4 177 B11R2.1 O[C@@H]1CCC2=C1C=CC=C2 C126 [0,0,0,1,0,0|2,0,0]=3 178 B11R2.1 O[C@H]1CCC2=CC=CN=C21 4628AC [0,0,0,1,0,0|3,0,0]=4 179 B11R2.4 NC1CC1C2=CC=CC=C2 2168AL [0,0,0,1,0,0|0,0,0]=1 180 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 8373AH [0,0,0,1,0,0|0,0,0]=1 181 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 8412AH [0,0,0,1,0,0|0,0,0]=1 182 B11R2.40 NC1(C2=CC=CC=C2)CC1 X2090 [0,0,0,1,0,0|2,0,0]=3 183 B11R2.40 NC1(C2=CC=NC=C2)CC1 2692AD [0,0,0,1,0,0|3,0,0]=4 184 B11R2.40 NC1(C2=CN=CC=C2)CC1 6906AB [0,0,0,1,0,0|3,0,0]=4 185 B11R2.40 NC1(C2=NC=CC=C2)CC1 6037AB [0,0,0,1,0,0|3,0,0]=4 186 B11R2.239 C1=CC(C2CNC2)=CC=N1 4510AA [0,0,0,1,0,0|1,0,0]=2 187 B11R2.239 C1=CC=C(C2CNC2)N=C1 0585AB [0,0,0,1,0,0|1,0,0]=2 188 B11R2.988 NCC1CC2=C1C=CC=C2 7180AC [0,0,0,1,0,0|0,0,0]=1 189 B11R2.988 OCC1=CC2=CC=CC=C21 K959 [0,0,0,1,0,0|1,0,2]=4 190 B9R1.11 CC(CO)N1C=CC=N1 6461AD [0,0,0,0,1,0|3,0,0]=4 191 B9R1.11 NCC(O)C1=CC=CO1 8969AD [0,0,0,0,1,0|2,0,0]=3 192 B9R1.11 OC[C@@H](O)C1=CC=CO1 1030AL [0,0,0,0,1,0|3,0,0]=4 193 B11R1.40 C=C[C@@H](N)CC1=CC=CC=C1 Y7506 [0,0,0,0,0,1|2,0,1]=4 194 B11R1.40 CC(CN)CC1=CC=CC=C1 2217AC [0,0,0,0,0,1|0,0,0]=1 195 B11R1.40 CC(CN)OC1=CC=CC=C1 Y9709 [0,0,0,0,0,1|0,0,0]=1 196 B11R1.40 N#CC(Br)CC1=CC=CC=C1 V6952 [0,0,0,0,0,1|1,0,2]=4 197 B11R1.40 N#CC(F)SC1=CC=CC=C1 7940AL [0,0,0,0,0,1|1,0,2]=4 198 B11R1.40 N#CC(N)CC1=CC=CC=C1 V6584 [0,0,0,0,0,1|1,0,2]=4 199 B11R1.40 N#CC(N)CC1=CC=CC=C1 V9283 [0,0,0,0,0,1|1,0,2]=4 200 B11R1.40 O=C(CCl)OC1=CC=CC=C1 R105 [0,0,0,0,0,1|2,0,1]=4 201 B11R1.40 O=C(CS)NC1=CC=CC=C1 4177AE [0,0,0,0,0,1|2,0,1]=4 202 B8R1.2 Br[Se]C1=CC=CC=C1 8804AL [2,0,0,0,0,0|2,0,0]=4 203 B8R1.2 CC[N+]1=CC=CC=C1 E438 [2,0,0,0,0,0|1,0,0]=3 204 B8R1.2 FCC1=CC=NC=C1 2557AL [2,0,0,0,0,0|2,0,0]=4 205 B8R1.2 NCC1=CC=CC=C1 7149AL [2,0,0,0,0,0|0,0,0]=2 206 B8R1.2 NCC1=CC=NC=C1 Z3385 [2,0,0,0,0,0|1,0,0]=3 207 B8R1.2 NCC1=CC=NC=N1 Y7101 [2,0,0,0,0,0|2,0,0]=4 208 B8R1.2 NCC1=CC=NN=C1 X9904 [2,0,0,0,0,0|2,0,0]=4 209 B8R1.2 NCC1=CN=NC=C1 0175AP [2,0,0,0,0,0|2,0,0]=4 210 B8R1.2 NCC1=NC=NC=C1 9281AB [2,0,0,0,0,0|2,0,0]=4 211 B8R1.2 NCC1=NN=CC=C1 5795AC [2,0,0,0,0,0|2,0,0]=4 212 B8R1.2 NNC1=CC=NC=C1 0864AQ [2,0,0,0,0,0|2,0,0]=4 213 B8R1.2 SCC1=CC=CN=C1 Z2753 [2,0,0,0,0,0|2,0,0]=4 214 B10R1.13 C=C(C)C1=CC=C(F)C=C1 2727AL [1,1,0,0,0,0|0,0,2]=4 215 B10R1.13 C=C(C)C1=CC=C(O)C=C1 5917AB [1,1,0,0,0,0|0,0,2]=4 216 B10R1.13 CC(=O)C1=CC=C(N)C=C1 6399AL [1,1,0,0,0,0|1,0,1]=4 217 B10R1.13 CC(C)C1=CC=C(O)C=N1 0499AA [1,1,0,0,0,0|1,0,0]=3 218 B10R1.13 CC(C)C1=CN=C(Cl)N=C1 W7245 [1,1,0,0,0,0|2,0,0]=4 219 B10R1.13 CC(C)C1=NN=C(Cl)C=C1 Z4894 [1,1,0,0,0,0|2,0,0]=4 220 B10R1.13 CC(N)C1=CC=C(I)C=C1 4982AC [1,1,0,0,0,0|0,0,0]=2 221 B10R1.13 CC(N)C1=CC=C(O)C=C1 3888AD [1,1,0,0,0,0|0,0,0]=2 222 B10R1.13 CC(N)C1=NC=C(Br)C=C1 3774AC [1,1,0,0,0,0|1,0,0]=3 223 B10R1.13 CC(N)C1=NC=C(F)C=C1 5402AC [1,1,0,0,0,0|1,0,0]=3 224 B10R1.13 CC(O)C1=CC=C(N)C=C1 7206AA [1,1,0,0,0,0|1,0,0]=3 225 B10R1.13 CC1=CC=C(C(C)N)N=C1 4578AH [1,1,0,0,0,0|1,0,0]=3 226 B10R1.13 CC1=CC=C(C(C)N)N=C1 9504AH [1,1,0,0,0,0|1,0,0]=3 227 B10R1.13 CC1=CC=C([C@@H](C)N)C=C1 O143 [1,1,0,0,0,0|0,0,0]=2 228 B10R1.13 CC1=CC=C([C@H](C)N)C=C1 2564AB [1,1,0,0,0,0|0,0,0]=2 229 B10R1.13 CC1=CC[C@H](C(C)C)C=C1 3942AL [1,1,0,0,0,0|0,0,2]=4 230 B10R1.13 CN(C)C1=CC=[N+]([O-])C=C1 6241AL [1,1,0,0,0,0|2,0,0]=4 231 B10R1.13 CN(C)C1=CC=[N+]([O-])C=C1 6486AL [1,1,0,0,0,0|2,0,0]=4 232 B10R1.13 CN(C)C1=NC=C(N)C=C1 Z8075 [1,1,0,0,0,0|2,0,0]=4 233 B10R1.13 CS(=O)C1=CC=C(Cl)C=C1 5861AC [1,1,0,0,0,0|2,0,0]=4 234 B10R1.13 C[C@@H](N)C1=CC=C(O)C=C1 X3988 [1,1,0,0,0,0|0,0,0]=2 235 B10R1.13 C[C@H](N)C1=CC=C(Cl)C=C1 8310AB [1,1,0,0,0,0|0,0,0]=2 236 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 7591AD [1,1,0,0,0,0|0,0,0]=2 237 B10R1.13 C[C@H](O)C1=CC=C(Br)C=C1 X8527 [1,1,0,0,0,0|1,0,0]=3 238 B10R1.13 C[C@H](O)C1=CC=C(F)C=C1 0357AA [1,1,0,0,0,0|1,0,0]=3 239 B10R1.13 N=C(N)C1=CC=C(I)C=C1 2844AJ [1,1,0,0,0,0|1,0,1]=4 240 B10R1.13 N=C(N)C1=CC=C(N)C=C1 W8418 [1,1,0,0,0,0|1,0,1]=4 241 B10R1.13 NC1=CC=C(C(F)F)C=C1 Z1981 [1,1,0,0,0,0|2,0,0]=4 242 B10R1.28 CC(C)(N)C1=CC=CC=N1 5199AJ [1,1,0,0,0,0|1,0,0]=3 243 B10R1.28 CC(F)(F)C1=CC=NC=C1 9493AC [1,1,0,0,0,0|2,0,0]=4 244 B10R1.28 CC(F)(F)C1=CN=CC=C1 9489AC [1,1,0,0,0,0|2,0,0]=4 245 B10R1.28 CC(F)(F)C1=NC=CC=C1 9488AC [1,1,0,0,0,0|2,0,0]=4 246 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 8822AL [1,1,0,0,0,0|1,0,0]=3 247 B10R1.28 C[Sn](C)(C)C1=CC=CC=N1 9304AL [1,1,0,0,0,0|2,0,0]=4 248 B10R1.61 C=C(C)C1=C(C)C=CC=C1 5671AL [1,1,0,0,0,0|0,0,2]=4 249 B10R1.61 CC(C)C1=C(Br)C=NC=N1 V9534 [1,1,0,0,0,0|2,0,0]=4 250 B10R1.61 CC(C)C1=C(Cl)N=CN=C1 0417AA [1,1,0,0,0,0|2,0,0]=4 251 B10R1.61 CC(N)C1=C(O)C=CC=C1 5161AJ [1,1,0,0,0,0|0,0,0]=2 252 B10R1.61 CC(O)C1=CC=CN=C1F Z0851 [1,1,0,0,0,0|2,0,0]=4 253 B10R1.61 CC(O)C1=CC=CN=C1N 9393AH [1,1,0,0,0,0|2,0,0]=4 254 B10R1.61 CC(O)C1=NC=CC=C1F N325 [1,1,0,0,0,0|2,0,0]=4 255 B10R1.61 CC1=C(C(C)C)C=CC=C1 8715AL [1,1,0,0,0,0|0,0,0]=2 256 B10R1.61 CC1=C([C@@H](C)N)C=CC=C1 3317AC [1,1,0,0,0,0|0,0,0]=2 257 B10R1.61 CC1=CC=CC=C1[C@@H](C)O Y1501 [1,1,0,0,0,0|1,0,0]=3 258 B10R1.61 CC1=CC=CC=C1[C@H](C)N W8323 [1,1,0,0,0,0|0,0,0]=2 259 B10R1.61 CC1=CC=CC=C1[C@H](C)O Y1500 [1,1,0,0,0,0|1,0,0]=3 260 B10R1.61 CC1=CC=CN=C1C(C)N 9674AE [1,1,0,0,0,0|1,0,0]=3 261 B10R1.61 CN(C)C1=C(F)C=CC=C1 9536AF [1,1,0,0,0,0|1,0,0]=3 262 B10R1.61 CS(=O)C1=CC=CC=C1Br 8910AE [1,1,0,0,0,0|2,0,0]=4 263 B10R1.61 CS(=O)C1=CC=CC=C1O Z7171 [1,1,0,0,0,0|2,0,0]=4 264 B10R1.61 C[C@@H](N)C1=C(F)C=CC=C1 1179AL [1,1,0,0,0,0|0,0,0]=2 265 B10R1.61 C[C@H](N)C1=CC=CC=C1Cl W7853 [1,1,0,0,0,0|0,0,0]=2 266 B10R1.61 C[C@H](O)C1=CC=CN=C1N 5914AC [1,1,0,0,0,0|2,0,0]=4 267 B10R1.61 FC1=CC=CC=C1C(F)F 7228AE [1,1,0,0,0,0|2,0,0]=4 268 B10R1.61 N=C(N)C1=C(Br)C=CC=C1 1622AJ [1,1,0,0,0,0|1,0,1]=4 269 B10R1.61 N=C(N)C1=CC=CC=C1Cl 6297AB [1,1,0,0,0,0|1,0,1]=4 270 B10R1.61 N=C(N)C1=CC=CC=C1F 1049AC [1,1,0,0,0,0|1,0,1]=4 271 B10R1.113 CC(C)C1=CC(N)=NC=N1 9682AC [1,1,0,0,0,0|2,0,0]=4 272 B10R1.113 CC(C)C1=CC=CC(N)=N1 W8437 [1,1,0,0,0,0|1,0,0]=3 273 B10R1.113 CC(C)C1=CC=NC(O)=N1 3007AD [1,1,0,0,0,0|2,0,0]=4 274 B10R1.113 CC(C)C1=NC(N)=NC=C1 8543AB [1,1,0,0,0,0|2,0,0]=4 275 B10R1.113 CC(C)C1=NC=CC(Cl)=C1 6890AC [1,1,0,0,0,0|1,0,0]=3 276 B10R1.113 CC(C)C1=NC=CC(N)=N1 2378AA [1,1,0,0,0,0|2,0,0]=4 277 B10R1.113 CC(O)C1=CC(N)=NC=C1 4164AC [1,1,0,0,0,0|2,0,0]=4 278 B10R1.113 CC1=CC(C(C)N)=NC=C1 5999AE [1,1,0,0,0,0|1,0,0]=3 279 B10R1.113 CC1=CC(N(C)C)=NC=C1 0347AB [1,1,0,0,0,0|2,0,0]=4 280 B10R1.113 CC1=CC(N(C)N)=CC=C1 4897AL [1,1,0,0,0,0|1,0,0]=3 281 B10R1.113 CC1=CC=CC(C(C)C)=C1 5135AE [1,1,0,0,0,0|0,0,0]=2 282 B10R1.113 CC1=CC=CC(C(C)O)=C1 8099AF [1,1,0,0,0,0|1,0,0]=3 283 B10R1.113 CC1=NC(C(C)N)=CC=C1 9513AH [1,1,0,0,0,0|1,0,0]=3 284 B10R1.113 CN(C)C1=CC(F)=CC=C1 0769AB [1,1,0,0,0,0|1,0,0]=3 285 B10R1.113 C[C@@H](N)C1=CC(O)=CC=C1 4775AE [1,1,0,0,0,0|0,0,0]=2 286 B10R1.113 C[C@@H](N)C1=CC=CC(N)=C1 1207AL [1,1,0,0,0,0|0,0,0]=2 287 B10R1.113 C[C@@H](O)C1=CC=CC(F)=C1 5245AA [1,1,0,0,0,0|1,0,0]=3 288 B10R1.113 C[C@H](N)C1=CC=CC(F)=C1 W5400 [1,1,0,0,0,0|0,0,0]=2 289 B10R1.113 FC1=CC(C(Br)Br)=CC=C1 O150 [1,1,0,0,0,0|2,0,0]=4 290 B10R1.113 FC1=CC=CC(C(F)F)=C1 8582AD [1,1,0,0,0,0|2,0,0]=4 291 B10R1.113 N=C(N)C1=CC=CC(Br)=C1 2211AJ [1,1,0,0,0,0|1,0,1]=4 292 B10R1.113 NC(=S)C1=CC=CC(I)=C1 8330AC [1,1,0,0,0,0|1,0,1]=4 293 B10R1.113 NC1=CC=CC(C(F)F)=C1 4695AB [1,1,0,0,0,0|2,0,0]=4 294 B10R1.1 BrC1=CC=C(CCI)C=C1 3237AC [1,1,0,0,0,0|1,0,0]=3 295 B10R1.1 C=CCC1=CC=C(Br)C=C1 7818AD [1,1,0,0,0,0|1,0,1]=4 296 B10R1.1 C=CCC1=CC=C(Cl)C=C1 5641AD [1,1,0,0,0,0|1,0,1]=4 297 B10R1.1 C=CCC1=CC=C(F)C=C1 0990AQ [1,1,0,0,0,0|1,0,1]=4 298 B10R1.1 CC1=CC=C(CCO)C=C1 X8365 [1,1,0,0,0,0|1,0,0]=3 299 B10R1.1 CCCC1=CC=C(C)C=C1 4911AL [1,1,0,0,0,0|1,0,0]=3 300 B10R1.1 CCCC1=CC=C(F)C=C1 2755AE [1,1,0,0,0,0|1,0,0]=3 301 B10R1.1 CCNC1=CC=C(C)C=C1 U343 [1,1,0,0,0,0|2,0,0]=4 302 B10R1.1 CCNC1=CC=C(F)C=C1 5502AB [1,1,0,0,0,0|2,0,0]=4 303 B10R1.1 CCNC1=CC=C(O)C=C1 0115AC [1,1,0,0,0,0|2,0,0]=4 304 B10R1.1 CNCC1=CC=C(O)C=C1 6057AJ [1,1,0,0,0,0|2,0,0]=4 305 B10R1.1 COCC1=CC=C(I)C=C1 5525AC [1,1,0,0,0,0|2,0,0]=4 306 B10R1.1 NCCC1=CC=C(Br)C=N1 1783AL [1,1,0,0,0,0|1,0,0]=3 307 B10R1.1 NCCC1=CC=C(Cl)C=C1 1166AJ [1,1,0,0,0,0|0,0,0]=2 308 B10R1.1 NNCC1=CC=C(F)C=C1 0826AC [1,1,0,0,0,0|1,0,0]=3 309 B10R1.1 NOCC1=CC=C(Br)C=C1 5547AB [1,1,0,0,0,0|1,0,0]=3 310 B10R1.1 NOCC1=CC=C(Cl)C=C1 X4802 [1,1,0,0,0,0|1,0,0]=3 311 B10R1.4 BrCCC1=CC=CC=C1Br Z7172 [1,1,0,0,0,0|1,0,0]=3 312 B10R1.4 CC1=C(CCN)N=CC=C1 3182AC [1,1,0,0,0,0|1,0,0]=3 313 B10R1.4 CC1=CC=CC=C1CNN 4794AE [1,1,0,0,0,0|1,0,0]=3 314 B10R1.4 CCCC1=C(C)C=CC=C1 4903AL [1,1,0,0,0,0|1,0,0]=3 315 B10R1.4 CCCC1=C(N)C=CC=C1 P410 [1,1,0,0,0,0|1,0,0]=3 316 B10R1.4 CCOC1=CC=CC=C1N 8719AL [1,1,0,0,0,0|2,0,0]=4 317 B10R1.4 N#CCC1=C(O)C=CC=C1 7309AA [1,1,0,0,0,0|0,0,2]=4 318 B10R1.4 NCCC1=CC=CC=C1O Z4391 [1,1,0,0,0,0|0,0,0]=2 319 B10R1.4 NNCC1=CC=CC=C1Cl 4668AE [1,1,0,0,0,0|1,0,0]=3 320 B10R1.4 NOCC1=CC=CC=C1F 7325AD [1,1,0,0,0,0|1,0,0]=3 321 B10R1.4 NOCC1=CC=CC=C1I 3260AC [1,1,0,0,0,0|1,0,0]=3 322 B10R1.4 O=CCC1=CC=CC=C1F 1702AC [1,1,0,0,0,0|1,0,1]=4 323 B10R1.4 ONCC1=CC=CC=C1F Z3766 [1,1,0,0,0,0|2,0,0]=4 324 B10R1.10 C=CCC1=CC(Br)=CC=C1 6124AD [1,1,0,0,0,0|1,0,1]=4 325 B10R1.10 CC1=CC(CCBr)=CC=C1 0637AQ [1,1,0,0,0,0|1,0,0]=3 326 B10R1.10 CC1=CC=CC(CCO)=N1 Y4754 [1,1,0,0,0,0|2,0,0]=4 327 B10R1.10 CCCC1=CC(C)=CC=C1 4908AL [1,1,0,0,0,0|1,0,0]=3 328 B10R1.10 CCCC1=CC(N)=NC=C1 2922AJ [1,1,0,0,0,0|2,0,0]=4 329 B10R1.10 CCCC1=CC(O)=CC=N1 2583AA [1,1,0,0,0,0|2,0,0]=4 330 B10R1.10 CCCC1=CC=CC(N)=N1 5785AB [1,1,0,0,0,0|2,0,0]=4 331 B10R1.10 CCNC1=CC=CC(Cl)=C1 W3328 [1,1,0,0,0,0|2,0,0]=4 332 B10R1.10 CCNC1=CC=CC(O)=C1 W2908 [1,1,0,0,0,0|2,0,0]=4 333 B10R1.10 CCOC1=CC(S)=CC=C1 L529 [1,1,0,0,0,0|2,0,0]=4 334 B10R1.10 CNCC1=CC(O)=CC=C1 2952AD [1,1,0,0,0,0|2,0,0]=4 335 B10R1.10 N#CCC1=CC(O)=CC=C1 5340AH [1,1,0,0,0,0|0,0,2]=4 336 B10R1.10 NCCC1=CC=CC(Br)=N1 5436AB [1,1,0,0,0,0|1,0,0]=3 337 B10R1.10 NCCC1=NC(Br)=CC=C1 5025AA [1,1,0,0,0,0|1,0,0]=3 338 B10R1.10 NNCC1=CC(F)=CC=C1 4670AE [1,1,0,0,0,0|1,0,0]=3 339 B10R1.10 NOCC1=CC(Cl)=CC=C1 3026AB [1,1,0,0,0,0|1,0,0]=3 340 B10R1.10 O=C1C=C(CCO)C=CC1 V0891 [1,1,0,0,0,0|1,0,1]=4 341 B10R1.10 OCCC1=CC=NC(Cl)=C1 1041AJ [1,1,0,0,0,0|2,0,0]=4 342 B10R1.17 CCCCC1=CC=NC=C1 Y9365 [1,1,0,0,0,0|2,0,0]=4 343 B10R1.17 CCCCC1=NC=CC=C1 S413 [1,1,0,0,0,0|2,0,0]=4 344 B10R1.17 CCNCC1=CC=CN=C1 Y5832 [1,1,0,0,0,0|2,0,0]=4 345 B10R1.17 CNCCC1=CC=NC=C1 5552AE [1,1,0,0,0,0|1,0,0]=3 346 B10R1.17 CNCCC1=CC=NC=C1 5553AE [1,1,0,0,0,0|1,0,0]=3 347 B10R1.17 CNCCC1=CC=NC=C1 X8552 [1,1,0,0,0,0|1,0,0]=3 348 B10R1.17 N#CCCC1=CC=CC=N1 1449AE [1,1,0,0,0,0|1,0,1]=4 349 B10R1.17 N#CCCC1=CC=NC=C1 2937AC [1,1,0,0,0,0|1,0,1]=4 350 B10R1.17 NCC#CC1=CC=CC=C1 1105AQ [1,1,0,0,0,0|0,0,1]=3 351 B10R1.17 NCCCC1=CC=CC=N1 7820AA [1,1,0,0,0,0|1,0,0]=3 352 B10R1.17 NCCCC1=CC=CN=C1 X2118 [1,1,0,0,0,0|1,0,0]=3 353 B10R1.17 NCCCC1=CC=NC=C1 2037AJ [1,1,0,0,0,0|1,0,0]=3 354 B10R1.17 NCCNC1=CC=CN=C1 4424AJ [1,1,0,0,0,0|1,0,0]=3 355 B10R1.17 NCCOC1=CC=NC=C1 1280AJ [1,1,0,0,0,0|1,0,0]=3 356 B10R1.17 NCCOC1=CC=NC=C1 2194AB [1,1,0,0,0,0|1,0,0]=3 357 B10R1.17 NCCSC1=CC=CC=C1 6800AD [1,1,0,0,0,0|0,0,0]=2 358 B10R1.17 NCCSC1=CC=CC=N1 3135AE [1,1,0,0,0,0|1,0,0]=3 359 B10R1.17 O=CCOC1=CC=CC=C1 0811AB [1,1,0,0,0,0|1,0,1]=4 360 B10R1.17 OCCSC1=CC=CC=C1 K990 [1,1,0,0,0,0|1,0,0]=3 361 B10R1.17 [C-]#[N+]CCC1=CC=CC=C1 Z6329 [1,1,0,0,0,0|0,0,1]=3 362 B10R1.18 CC(C)CC1=CC=NC=C1 6191AJ [1,1,0,0,0,0|2,0,0]=4 363 B10R1.18 CC(N)CC1=CC=CC=N1 4560AE [1,1,0,0,0,0|1,0,0]=3 364 B10R1.18 CC(N)CC1=CC=NC=C1 4587AH [1,1,0,0,0,0|1,0,0]=3 365 B10R1.18 CC(N)CC1=CN=CC=N1 4220AC [1,1,0,0,0,0|2,0,0]=4 366 B10R1.18 C[C@@H](O)CC1=CC=CC=C1 7881AA [1,1,0,0,0,0|1,0,0]=3 367 B10R1.18 N=C(N)CC1=CC=CC=C1 1942AB [1,1,0,0,0,0|0,0,1]=3 368 B10R1.18 N=C(N)CC1=NC=CC=C1 0398AD [1,1,0,0,0,0|1,0,1]=4 369 B12R1.32 CN(CCN)CC1=CC=CC=C1 6899AA [0,1,0,0,0,1|1,0,0]=3 370 B12R1.32 CNCC(=O)NC1=CC=CC=C1 W7306 [0,1,0,0,0,1|1,0,1]=4 371 B12R1.32 NCCC(=O)NC1=CC=CC=C1 9531AC [0,1,0,0,0,1|1,0,1]=4 372 B12R1.34 CC(C1=CC=CC=C1)C(N)CO HTS033199 [0,1,0,0,0,1|2,0,0]=4 373 B12R1.43 CC(N)C(=O)NC1=CC=CC=C1 4801AD [0,1,0,0,0,1|1,0,1]=4 374 B12R1.43 CC(NC1=CC=CC=C1)C(=O)O 9529AF [0,1,0,0,0,1|1,0,1]=4 375 B12R1.43 CC(OC1=CC=CC=C1)C(N)=O 5101AH [0,1,0,0,0,1|0,0,1]=3 376 B12R1.49 CC1=CC=C(NC(=O)CN)C=C1 5390AE [0,1,0,0,0,1|1,0,1]=4 377 B12R1.49 N[C@@H](CO)CC1=CC=C(O)C=C1 C822 [0,1,0,0,0,1|2,0,0]=4 378 B12R1.49 N[C@H](CO)CC1=CC=C(O)C=C1 6908AB [0,1,0,0,0,1|2,0,0]=4 379 B12R1.50 CC1=CC=CC(NC(=O)CN)=C1 1548AD [0,1,0,0,0,1|1,0,1]=4 380 B12R1.50 CCC(C)OC1=CC(N)=CC=C1 7479AE [0,1,0,0,0,1|1,0,0]=3 381 B12R1.118 COC(CN)CC1=CC=CC=C1 1715AF [0,1,0,0,0,1|0,0,0]=2 382 B12R1.118 OCC(CO)CC1=CC=CC=C1 3161AH [0,1,0,0,0,1|1,0,0]=3 383 B12R1.194 CC(C)(C#N)NC1=CC=CC=C1 7424AD [0,1,0,0,0,1|0,0,2]=4 384 B12R1.194 CC(C)(C=O)SC1=CC=CC=C1 7249AE [0,1,0,0,0,1|1,0,1]=4 385 B12R1.371 CC1=C(CC(N)CO)C=CC=C1 1475AJ [0,1,0,0,0,1|2,0,0]=4 386 B12R1.371 CC1=CC=CC=C1NC(=O)CN 8084AC [0,1,0,0,0,1|1,0,1]=4 387 B12R1.371 CCC(C)NC1=C(N)C=CC=N1 7861AC [0,1,0,0,0,1|2,0,0]=4 388 B12R1.9 CC(C)(CN)C1=CC=C(Cl)C=C1 Z6247 [0,2,0,0,0,0|0,0,0]=2 389 B12R1.9 CC(C)(CN)C1=CC=C(F)C=C1 2700AE [0,2,0,0,0,0|0,0,0]=2 390 B12R1.9 CC1=CC=C(C(C)(C)CN)C=C1 9751AE [0,2,0,0,0,0|0,0,0]=2 391 B12R1.9 CCC(C)(C)C1=CC=C(N)C=C1 0522AB [0,2,0,0,0,0|1,0,0]=3 392 B12R1.10 CC(C)(CN)C1=CC=CC(Br)=C1 V2548 [0,2,0,0,0,0|0,0,0]=2 393 B12R1.10 CC(C)(CN)C1=CC=CC(F)=C1 V2830 [0,2,0,0,0,0|0,0,0]=2 394 B12R1.39 CC(C)(CCN)C1=CC=CC=C1 2338AJ [0,2,0,0,0,0|0,0,0]=2 395 B12R1.195 CC(C)(C=O)C1=C(Cl)C=CC=C1 6615AB [0,2,0,0,0,0|1,0,1]=4 396 B12R1.195 CC(C)(CN)C1=CC=CC=C1Cl V2921 [0,2,0,0,0,0|0,0,0]=2 397 B12R1.195 CC(C)(CN)C1=CC=CC=C1F V2495 [0,2,0,0,0,0|0,0,0]=2 398 B12R1.253 CC(N)(C(=O)O)C1=CC=CC=C1 8261AB [0,2,0,0,0,0|1,0,1]=4 399 B12R1.253 CC(O)(C(=O)O)C1=CC=CC=C1 Y9290 [0,2,0,0,0,0|1,0,1]=4 400 B12R1.3 CCN(CCCl)C1=CC=CC=C1 P899 [0,2,0,0,0,0|2,0,0]=4 401 B12R1.3 CCN[C@H](CO)C1=CC=CC=C1 1422AA [0,2,0,0,0,0|1,0,0]=3 402 B12R1.243 CCN(CC)C1=C(Cl)C=CC=C1 5580AL [0,2,0,0,0,0|2,0,0]=4 403 B12R1.243 CCN(CC)C1=C(N)C=CC=C1 6418AD [0,2,0,0,0,0|2,0,0]=4 404 B12R1.478 CC(=O)C(CO)C1=CC=CC=C1 9433AB [0,2,0,0,0,0|1,0,0]=3 405 B12R1.478 CC(C)C(C#N)C1=CC=CC=C1 8116AB [0,2,0,0,0,0|0,0,2]=4 406 B12R1.478 CC(C)C(C=O)C1=CC=CC=C1 1812AB [0,2,0,0,0,0|1,0,1]=4 407 B12R1.478 CN(C)C(CN)C1=CC=CC=C1 V7029 [0,2,0,0,0,0|0,0,0]=2 408 B12R1.478 CN(C)C(CN)C1=NC=CC=C1 7498AH [0,2,0,0,0,0|1,0,0]=3 409 B12R1.478 NCC(C(=O)O)C1=CC=CC=C1 6032AB [0,2,0,0,0,0|0,0,1]=3 410 B12R1.478 NC[C@H](C(=O)O)C1=CC=CC=C1 0283AA [0,2,0,0,0,0|0,0,1]=3 411 B12R1.16 BrCCC(Br)C1=CC=C(Br)C=C1 8745AB [0,2,0,0,0,0|2,0,0]=4 412 B12R1.16 CC1=CC=C([C@H](N)CCO)C=C1 1218AL [0,2,0,0,0,0|2,0,0]=4 413 B12R1.16 CN(CCO)C1=CC=C(N)C=C1 5889AD [0,2,0,0,0,0|2,0,0]=4 414 B12R1.16 ClC(CCBr)C1=CC=C(Br)C=C1 4041AB [0,2,0,0,0,0|2,0,0]=4 415 B12R1.16 ClC1=CC=C(C(Br)CCBr)C=C1 V4103 [0,2,0,0,0,0|2,0,0]=4 416 B12R1.16 NC(CCO)C1=CC=C(Br)C=C1 5784AJ [0,2,0,0,0,0|2,0,0]=4 417 B12R1.16 NC1=CC=C(C(N)CCO)C=C1 2347AL [0,2,0,0,0,0|2,0,0]=4 418 B12R1.16 NC1=CC=C([C@@H](N)CCO)C=C1 1318AL [0,2,0,0,0,0|2,0,0]=4 419 B12R1.16 N[C@@H](CCO)C1=CC=C(F)C=C1 1295AL [0,2,0,0,0,0|2,0,0]=4 420 B12R1.16 N[C@H](CCO)C1=CC=C(Br)C=C1 4351AH [0,2,0,0,0,0|2,0,0]=4 421 B12R1.17 CNCC(O)C1=CC(O)=CC=C1 7812AL [0,2,0,0,0,0|1,0,0]=3 422 B12R1.17 NC(CCO)C1=CC=CC(O)=C1 2190AL [0,2,0,0,0,0|2,0,0]=4 423 B12R1.17 N[C@@H](CCO)C1=CC=CC(F)=C1 1293AL [0,2,0,0,0,0|2,0,0]=4 424 B12R1.30 C[C@@H](NCCO)C1=CC=CC=C1 2547AC [0,2,0,0,0,0|1,0,0]=3 425 B12R1.30 NCCNC(=O)C1=CC=CC=C1 4647AD [0,2,0,0,0,0|1,0,1]=4 426 B12R1.30 O=CNCC(=O)C1=CC=CC=C1 1383AC [0,2,0,0,0,0|1,0,1]=4 427 B12R1.107 CC(C)CC(N)C1=CC=CC=C1 W6216 [0,2,0,0,0,0|2,0,0]=4 428 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 X9200 [0,2,0,0,0,0|2,0,0]=4 429 B12R1.107 CC(C)NC(C)C1=CC=CC=C1 W4133 [0,2,0,0,0,0|1,0,0]=3 430 B12R1.107 CC(CC(=O)O)C1=CN=CC=C1 3138AF [0,2,0,0,0,0|2,0,0]=4 431 B12R1.107 CC(NC(N)=S)C1=CC=CC=C1 V7228 [0,2,0,0,0,0|0,0,1]=3 432 B12R1.107 CN(C)C[C@@H](N)C1=CC=CC=C1 0890AC [0,2,0,0,0,0|1,0,0]=3 433 B12R1.308 NC(CCO)C1=C(Cl)C=CC=C1 9685AC [0,2,0,0,0,0|2,0,0]=4 434 B12R1.5 CCC(N)C1=CC=C(OC)C=C1 7913AD [0,2,0,0,0,0|2,0,0]=4 435 B12R1.5 COC1=CC=C(C(O)CN)C=C1 8059AB [0,2,0,0,0,0|1,0,0]=3 436 B12R1.20 CC(C(=O)O)C1=CC=C(F)C=C1 W8302 [0,2,0,0,0,0|1,0,1]=4 437 B12R1.20 CC(C)[C@@H](N)C1=CC=C(F)C=C1 3800AA [0,2,0,0,0,0|2,0,0]=4 438 B12R1.20 CC(C1=CC=C(Br)C=C1)N(C)C 4167AD [0,2,0,0,0,0|2,0,0]=4 439 B12R1.20 CC(N)C(O)C1=CC=C(O)C=C1 V1268 [0,2,0,0,0,0|1,0,0]=3 440 B12R1.367 CC1=CC=C(C(N)CO)C=C1C 4968AH [0,2,0,0,0,0|2,0,0]=4 441 B12R1.367 CCC(C)C1=CC(Br)=C(O)C=C1 7213AE [0,2,0,0,0,0|1,0,0]=3 442 B12R1.367 CCC(N)C1=CC(C)=C(C)C=C1 4088AE [0,2,0,0,0,0|2,0,0]=4 443 B12R1.367 NCC(=O)C1=CC=C(Cl)C(Cl)=C1 5784AB [0,2,0,0,0,0|1,0,1]=4 444 B12R1.367 NCC(O)C1=CC(Cl)=C(Cl)C=C1 1449AJ [0,2,0,0,0,0|1,0,0]=3 445 B12R1.367 NC[C@@H](O)C1=CC(O)=C(O)C=C1 9726AB [0,2,0,0,0,0|1,0,0]=3 446 B12R1.367 OCC(Cl)C1=CC=C(Cl)C(Cl)=C1 2028AL [0,2,0,0,0,0|2,0,0]=4 447 B12R1.1703 CC1=CC=C(C(N)CO)C(C)=C1 4966AH [0,2,0,0,0,0|2,0,0]=4 448 B12R1.1703 NCC(=O)C1=CC=C(Cl)C=C1Cl L157 [0,2,0,0,0,0|1,0,1]=4 449 B12R1.1703 NCC(=O)C1=CC=C(F)C=C1F 2319AC [0,2,0,0,0,0|1,0,1]=4 450 B12R1.225 CC(C(=O)O)C1=CC=CC(F)=C1 0039AC [0,2,0,0,0,0|1,0,1]=4 451 B12R1.225 CC1=CC(C(C)C(=O)O)=CC=C1 1119AJ [0,2,0,0,0,0|1,0,1]=4 452 B12R1.358 NC(CO)C1=CC(Cl)=CC(Cl)=C1 5417AJ [0,2,0,0,0,0|2,0,0]=4 453 B12R1.358 NCC(=O)C1=CC(F)=CC(F)=C1 1451AJ [0,2,0,0,0,0|1,0,1]=4 454 B12R1.435 CCC(O)C1=CC=CC(OC)=C1 7497AB [0,2,0,0,0,0|2,0,0]=4 455 B12R1.435 CC[C@@H](N)C1=CC(C#N)=CC=C1 4782AA [0,2,0,0,0,0|2,0,0]=4 456 B12R1.435 COC1=CC(C(O)CN)=CC=C1 9377AJ [0,2,0,0,0,0|1,0,0]=3 457 B12R1.435 COC1=CC=CC(C(N)CO)=C1 1466AJ [0,2,0,0,0,0|2,0,0]=4 458 B12R1.435 COC1=CC=CC(C(N)CO)=C1 3640AB [0,2,0,0,0,0|2,0,0]=4 459 B12R1.435 COC1=CC=CC(C(O)CN)=C1 2592AB [0,2,0,0,0,0|1,0,0]=3 460 B12R1.124 OC(C1=CC=CC=C1Cl)C(Cl)Cl 2651AB [0,2,0,0,0,0|2,0,0]=4 461 B12R1.564 FC(F)(F)C(Br)C1=CC=CC=C1 3336AE [0,2,0,0,0,0|2,0,0]=4 462 B12R1.564 N[C@@H](C1=CC=CC=C1)C(F)(F)F 9346AB [0,2,0,0,0,0|2,0,0]=4 463 B12R1.77 CC[C@@H](N)C1=CC=CC=C1OC W7435 [0,2,0,0,0,0|2,0,0]=4 464 B10R2.6 C1=CC(C2CC2)=CC=N1 Z0635 [1,0,0,1,0,0|1,0,0]=3 465 B10R2.7 C1=CC2=C(C=C1)CSC2 1903AB [1,0,0,1,0,0|2,0,0]=4 466 B10R2.7 C1=CC2=C(C=N1)CCN2 1361AJ [1,0,0,1,0,0|1,0,0]=3 467 B10R2.7 C1=CC=C2NC=CC2=C1 J70045 [1,0,0,1,0,0|0,0,2]=4 468 B10R2.7 C1=CN=C2CCNC2=C1 1360AJ [1,0,0,1,0,0|1,0,0]=3 469 B12R2.18 CC1NC2=C(C=CC=C2)C1C 1212AB [0,0,0,1,0,1|1,0,0]=3 470 B12R2.18 NC1C(=O)NC2=CC=CC=C21 9792AC [0,0,0,1,0,1|1,0,1]=4 471 B12R2.18 NC1CC2=CC=CC=C2C1O 7525AA [0,0,0,1,0,1|2,0,0]=4 472 B12R2.18 N[C@@H]1C2=CC=CC=C2C[C@@H]1O 6832AA [0,0,0,1,0,1|1,0,0]=3 473 B12R2.24 CC1CNC2=C(C=CC=C2)S1 6248AE [0,0,0,1,0,1|0,0,0]=2 474 B12R2.24 CC1CNC2=CC=CC=C2O1 V6799 [0,0,0,1,0,1|0,0,0]=2 475 B12R2.24 CC1COC2=CC=CC=C2N1 0197AE [0,0,0,1,0,1|1,0,0]=3 476 B12R2.24 CN1CCC2=C(C=CC=C2)C1 8158AA [0,0,0,1,0,1|2,0,0]=4 477 B12R2.24 NC1CCC2=CC=CC=C2C1 3016AB [0,0,0,1,0,1|2,0,0]=4 478 B12R2.24 NC1CNC2=CC=CC=C2C1 5514AB [0,0,0,1,0,1|1,0,0]=3 479 B12R2.24 NC1COC2=C(C=CC=C2)C1 9046AB [0,0,0,1,0,1|2,0,0]=4 480 B12R2.24 NC1COC2=C(C=CC=C2)C1 9680AA [0,0,0,1,0,1|2,0,0]=4 481 B12R2.24 N[C@@H]1CCC2=C(C=CC=C2)C1 1181AL [0,0,0,1,0,1|2,0,0]=4 482 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 1283AL [0,0,0,1,0,1|2,0,0]=4 483 B12R2.24 O=C1CNC2=C(C=CC=C2)O1 A392 [0,0,0,1,0,1|1,0,1]=4 484 B12R2.24 OC1CNC2=CC=CC=C2C1 3033AH [0,0,0,1,0,1|1,0,0]=3 485 B12R2.24 OC1COC2=C(C=CC=C2)O1 5942AE [0,0,0,1,0,1|2,0,0]=4 486 B12R2.27 OCC1CC1C2=CC=CC=C2 9271AB [0,0,0,1,0,1|1,0,0]=3 487 B12R2.27 OC[C@H]1O[C@@H]1C2=CC=CC=C2 7395AJ [0,0,0,1,0,1|2,0,0]=4 488 B12R2.32 BrCC1CC2=CC=CC=C2C1 4237AB [0,0,0,1,0,1|1,0,0]=3 489 B12R2.32 CCC1=CC2=C(C=CC=C2)C1 8751AA [0,0,0,1,0,1|1,0,1]=4 490 B12R2.32 CNC1CC2=CC=CC=C2C1 0955AA [0,0,0,1,0,1|2,0,0]=4 491 B12R2.32 NCC1=CC2=C(C=CC=C2)S1 8311AH [0,0,0,1,0,1|0,0,2]=4 492 B12R2.32 NCC1=CC2=CC=CC=C2S1 W7515 [0,0,0,1,0,1|0,0,2]=4 493 B12R2.32 NCC1=NC2=CC=CC=C2O1 Y6791 [0,0,0,1,0,1|1,0,1]=4 494 B12R2.32 NCC1=NC2=CC=CC=C2O1 Y6959 [0,0,0,1,0,1|1,0,1]=4 495 B12R2.32 NCC1CC2=C(C=CC=C2)C1 1348AJ [0,0,0,1,0,1|0,0,0]=2 496 B12R2.32 NCC1CC2=C(C=CC=C2)O1 0279AB [0,0,0,1,0,1|0,0,0]=2 497 B12R2.32 NNC1CC2=C(C=CC=C2)C1 0304AD [0,0,0,1,0,1|1,0,0]=3 498 B12R2.32 O=CC1CC2=CC=CC=C2C1 1349AJ [0,0,0,1,0,1|1,0,1]=4 499 B12R2.32 OCC1CC2=CC=CC=C2C1 7876AB [0,0,0,1,0,1|1,0,0]=3 500 B12R2.32 OCC1CC2=CC=CC=C2N1 1350AJ [0,0,0,1,0,1|1,0,0]=3 501 B12R2.94 NC1(CC2=CC=CC=C2)CC1 8899AD [0,0,0,1,0,1|2,0,0]=4 502 B12R2.2058 C1=CC=C(OC2CNC2)C=C1 9499AD [0,0,0,1,0,1|0,0,0]=2 503 B12R2.48 NCC1(C2=CC=CC=C2)CC1 V9282 [0,1,0,1,0,0|0,0,0]=2 504 B12R2.48 NCC1(C2=NC=CC=C2)CC1 8300AH [0,1,0,1,0,0|1,0,0]=3 505 B12R2.116 OC1(C2=CC=CC=C2)COC1 8374AE [0,1,0,1,0,0|1,0,0]=3 506 B12R2.1 CNC1CCC2=C1C=CC=C2 4152AJ [0,1,0,1,0,0|1,0,0]=3 507 B12R2.1 CNC1CCC2=C1C=CC=C2 4380AJ [0,1,0,1,0,0|1,0,0]=3 508 B12R2.1 N#CC1CCC2=C1C=CC=C2 Z4520 [0,1,0,1,0,0|0,0,2]=4 509 B12R2.1 NCC1=CSC2=C1C=CC=C2 5052AJ [0,1,0,1,0,0|0,0,2]=4 510 B12R2.1 NCC1=CSC2=CC=CC=C12 Y9464 [0,1,0,1,0,0|0,0,2]=4 511 B12R2.1 NCC1=NNC2=C1C=CC=C2 W8549 [0,1,0,1,0,0|1,0,1]=4 512 B12R2.1 NCC1=NNC2=CC=CC=C21 4191AH [0,1,0,1,0,0|1,0,1]=4 513 B12R2.1 NCC1=NOC2=C1C=CC=C2 9598AH [0,1,0,1,0,0|1,0,1]=4 514 B12R2.1 NCC1CCC2=C1C=CC=C2 Y9439 [0,1,0,1,0,0|0,0,0]=2 515 B12R2.1 NCC1CNC2=C1C=CC=C2 5682AJ [0,1,0,1,0,0|0,0,0]=2 516 B12R2.1 OCC1CCC2=C1C=CC=C2 5329AJ [0,1,0,1,0,0|1,0,0]=3 517 B12R2.2 C1=CC(C2CCNC2)=CC=N1 3704AC [0,1,0,1,0,0|1,0,0]=3 518 B12R2.2 C1=CC(C2CCNC2)=CC=N1 X4189 [0,1,0,1,0,0|1,0,0]=3 519 B12R2.2 C1=CC(C2CCNC2)=CN=C1 5164AH [0,1,0,1,0,0|1,0,0]=3 520 B12R2.2 C1=CC=C(C2CCCC2)C=C1 8394AE [0,1,0,1,0,0|1,0,0]=3 521 B12R2.2 C1=CC=C(C2CCNC2)C=C1 0848AF [0,1,0,1,0,0|0,0,0]=2 522 B12R2.2 C1=CC=C([C@H]2CCCN2)C=C1 9228AJ [0,1,0,1,0,0|1,0,0]=3 523 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 W8786 [0,1,0,1,0,0|0,0,0]=2 524 B12R2.2 C1=CC=C([S+]2CCCC2)C=C1 0152AF [0,1,0,1,0,0|2,0,0]=4 525 B12R2.2 C1=CN=CC(C2CCNC2)=C1 X9976 [0,1,0,1,0,0|1,0,0]=3 526 B12R2.2 C1=NC=C(C2CCNC2)N=C1 4884AH [0,1,0,1,0,0|2,0,0]=4 527 B12R2.22 O=C1CC(C2=CC=CC=C2)N1 8284AB [0,1,0,1,0,0|1,0,1]=4 528 B12R2.1081 CC1CNCC2=C1C=CC=C2 1997AA [0,1,0,1,0,0|0,0,0]=2 529 B12R2.1081 CC1CNCC2=C1C=CC=C2 Z3889 [0,1,0,1,0,0|0,0,0]=2 530 B12R2.1081 CN1CCNC2=C1N=CC=C2 3469AF [0,1,0,1,0,0|2,0,0]=4 531 B12R2.1081 NC1CCNC2=CC=CC=C21 1769AC [0,1,0,1,0,0|1,0,0]=3 532 B12R2.1081 NC1CCNC2=CC=CC=C21 2501AC [0,1,0,1,0,0|1,0,0]=3 533 B12R2.1081 NC1CCOC2=CC=CC=C21 5088AC [0,1,0,1,0,0|2,0,0]=4 534 B12R2.1081 NC1CCSC2=C1C=CC=C2 V9257 [0,1,0,1,0,0|2,0,0]=4 535 B12R2.1081 NC1COCC2=C1C=CC=C2 2575AA [0,1,0,1,0,0|2,0,0]=4 536 B12R2.1081 NC1COCC2=C1C=CC=C2 W3221 [0,1,0,1,0,0|2,0,0]=4 537 B12R2.1081 N[C@@H]1CCCC2=CC=CC=C21 B572 [0,1,0,1,0,0|2,0,0]=4 538 B12R2.1081 N[C@@H]1CCOC2=CC=CC=C21 0758AB [0,1,0,1,0,0|2,0,0]=4 539 B12R2.1081 OC1CNCC2=CC=CC=C21 9571AH [0,1,0,1,0,0|1,0,0]=3 540 B12R2.1081 OC1COCC2=CC=CC=C21 0698AB [0,1,0,1,0,0|2,0,0]=4 541 B12R2.1081 O[C@@H]1CCCC2=CC=CC=C21 1543AB [0,1,0,1,0,0|2,0,0]=4 542 B12R2.2028 CC1CC(=O)C2=C1C=CC=C2 9076AB [0,1,0,1,0,0|1,0,0]=3 543 B12R2.2028 CC1CC(N)C2=C1C=CC=C2 2333AJ [0,1,0,1,0,0|0,0,0]=2 544 B12R2.2028 C[C@H]1NC(=O)C2=C1C=CC=C2 8667AH [0,1,0,1,0,0|1,0,1]=4 545 B12R2.2075 NC(C1=CC=CC=C1)C2CC2 X6396 [0,1,0,1,0,0|2,0,0]=4 546 B12R2.2075 N[C@@H](C1=CC=CC=C1)C2CC2 W9898 [0,1,0,1,0,0|2,0,0]=4 547 B12R2.2075 N[C@H](C1=CC=CC=C1)C2CC2 W8707 [0,1,0,1,0,0|2,0,0]=4 548 B12R2.2075 OC(C1=CC=CC=C1)C2CC2 7063AL [0,1,0,1,0,0|2,0,0]=4 549 B12R2.290 CC1=CC=C(C2(N)CC2)C=C1 9971AH [0,1,0,1,0,0|2,0,0]=4 550 B12R2.290 NC1(C2=CC=C(F)C=C2)CC1 X2091 [0,1,0,1,0,0|2,0,0]=4 551 B12R2.612 CC1=CC2=C(C=C1)C(O)CC2 3976AB [0,1,0,1,0,0|2,0,0]=4 552 B12R2.612 CC1=NNC2=C1C=CC(O)=C2 W4256 [0,1,0,1,0,0|1,0,1]=4 553 B12R2.612 CN1CCC2=C1C=CC(N)=C2 9928AH [0,1,0,1,0,0|2,0,0]=4 554 B12R2.612 ClC1CCC2=C1C=CC(Br)=C2 7946AA [0,1,0,1,0,0|2,0,0]=4 555 B12R2.612 NC1CCC2=C1C=CC(Cl)=C2 3412AA [0,1,0,1,0,0|2,0,0]=4 556 B12R2.612 N[C@@H]1CCC2=C1C=CC(Br)=C2 8358AH [0,1,0,1,0,0|2,0,0]=4 557 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 5041AC [0,1,0,1,0,0|2,0,0]=4 558 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 5425AC [0,1,0,1,0,0|2,0,0]=4 559 B12R2.80 NC1CC1C2=CC(Cl)=CC=C2 5207AJ [0,1,0,1,0,0|0,0,0]=2 560 B12R2.132 CC1=CNC2=C1C=C(Br)C=C2 X8526 [0,1,0,1,0,0|0,0,2]=4 561 B12R2.132 CC1=CNC2=C1C=C(Cl)C=C2 1027AC [0,1,0,1,0,0|0,0,2]=4 562 B12R2.132 CC1=CNC2=C1C=C(O)C=C2 2188AA [0,1,0,1,0,0|0,0,2]=4 563 B12R2.132 CC1=NNC2=C1C=C(F)C=C2 Y5678 [0,1,0,1,0,0|1,0,1]=4 564 B12R2.132 CN1CCC2=C1C=C(N)C=C2 9914AH [0,1,0,1,0,0|2,0,0]=4 565 B12R2.132 CN1CCC2=CC=C(N)C=C21 9915AH [0,1,0,1,0,0|2,0,0]=4 566 B12R2.132 NC1CCC2=CC=C(Cl)C=C21 3277AA [0,1,0,1,0,0|2,0,0]=4 567 B12R2.132 NC1COC2=CC=C(Br)C=C21 3114AJ [0,1,0,1,0,0|2,0,0]=4 568 B12R2.132 NC1COC2=CC=C(Cl)C=C21 3176AJ [0,1,0,1,0,0|2,0,0]=4 569 B12R2.132 NC1COC2=CC=C(Cl)C=C21 3180AJ [0,1,0,1,0,0|2,0,0]=4 570 B12R2.132 N[C@H]1CCC2=CC=C(Br)C=C21 8406AH [0,1,0,1,0,0|2,0,0]=4 571 B12R2.132 N[C@H]1CCC2=CC=C(Br)C=C21 9195AH [0,1,0,1,0,0|2,0,0]=4 572 B12R2.196 CC1=CNC2=C(Br)C=CC=C12 3679AC [0,1,0,1,0,0|0,0,2]=4 573 B12R2.196 CC1=NNC2=C1C=CC=C2F 3706AJ [0,1,0,1,0,0|1,0,1]=4 574 B12R2.196 CC1=NNC2=C1C=CC=C2O X9041 [0,1,0,1,0,0|1,0,1]=4 575 B12R2.196 NC1CCC2=C(Br)C=CC=C21 2651AL [0,1,0,1,0,0|2,0,0]=4 576 B12R2.196 NC1CCC2=C(F)C=CC=C21 2719AL [0,1,0,1,0,0|2,0,0]=4 577 B12R2.196 NC1CCC2=C1C=CC=C2F 7425AA [0,1,0,1,0,0|2,0,0]=4 578 B12R2.1282 CC1=CC(C2(N)CC2)=CC=C1 2299AA [0,1,0,1,0,0|2,0,0]=4 579 B12R2.1282 NC1(C2=CC=CC(Br)=C2)CC1 V6544 [0,1,0,1,0,0|2,0,0]=4 580 B12R2.1282 NC1(C2=CC=CC(F)=C2)CC1 X3394 [0,1,0,1,0,0|2,0,0]=4 581 B12R2.88 CC1=CC=CC=C1C2(N)CC2 2300AA [0,1,0,1,0,0|2,0,0]=4 582 B12R2.88 CC1=CC=CC=C1C2(N)CC2 6901AB [0,1,0,1,0,0|2,0,0]=4 583 B12R2.88 NC1(C2=CC=CC=C2Cl)CC1 9040AC [0,1,0,1,0,0|2,0,0]=4 584 B12R2.203 CC1=NNC2=CC=CC(Cl)=C21 8466AA [0,1,0,1,0,0|1,0,1]=4 585 B12R2.203 CC1=NNC2=CC=CC(F)=C21 0172AC [0,1,0,1,0,0|1,0,1]=4 586 B12R2.203 CC1=NNC2=CC=CC(O)=C21 4592AD [0,1,0,1,0,0|1,0,1]=4 587 B12R3.12 C1=CC2=C(C=C1)C3OC3C2 9741AJ [0,0,0,2,0,0|2,0,0]=4 588 B8R1.7 CC(N)C1=CC=CO1 7556AD [1,0,0,0,1,0|1,0,0]=3 589 B8R1.7 CC(N)C1=COC=C1 2007AB [1,0,0,0,1,0|1,0,0]=3 590 B8R1.7 CC(N)C1=CSC=C1 0073AD [1,0,0,0,1,0|1,0,0]=3 591 B8R1.7 CC(N)C1=CSC=N1 4743AH [1,0,0,0,1,0|2,0,0]=4 592 B8R1.7 CC(O)C1=CC=CN1 Z2357 [1,0,0,0,1,0|2,0,0]=4 593 B8R1.7 CC(O)C1=COC=C1 3660AD [1,0,0,0,1,0|2,0,0]=4 594 B8R1.8 BrCCC1=CC=CS1 Z5496 [1,0,0,0,1,0|2,0,0]=4 595 B8R1.8 BrCCC1=CSC=C1 W7060 [1,0,0,0,1,0|2,0,0]=4 596 B8R1.8 BrCCN1C=CC=C1 Y4087 [1,0,0,0,1,0|2,0,0]=4 597 B8R1.8 CCCC1=CC=CO1 Z5525 [1,0,0,0,1,0|2,0,0]=4 598 B8R1.8 CCCC1=CSC=C1 Z5466 [1,0,0,0,1,0|2,0,0]=4 599 B8R1.8 ClCCN1C=CC=C1 X4634 [1,0,0,0,1,0|2,0,0]=4 600 B8R1.8 NCCC1=CC=CN1 1070AJ [1,0,0,0,1,0|1,0,0]=3 601 B8R1.8 NCCC1=CC=CN1 5556AB [1,0,0,0,1,0|1,0,0]=3 602 B8R1.8 NCCC1=CON=C1 5076AH [1,0,0,0,1,0|2,0,0]=4 603 B8R1.8 NCCC1=CSC=N1 2066AC [1,0,0,0,1,0|2,0,0]=4 604 B8R1.8 NCCC1=NC=CN1 9985AA [1,0,0,0,1,0|2,0,0]=4 605 B8R1.8 NCCC1=NC=CS1 5806AE [1,0,0,0,1,0|2,0,0]=4 606 B8R1.8 NCCC1=NC=CS1 Y1661 [1,0,0,0,1,0|2,0,0]=4 607 B8R1.8 NCCC1=NNC=C1 4102AD [1,0,0,0,1,0|2,0,0]=4 608 B8R1.8 NCCN1C=CC=C1 3045AB [1,0,0,0,1,0|1,0,0]=3 609 B8R1.8 NCCN1C=CN=C1 4503AH [1,0,0,0,1,0|2,0,0]=4 610 B8R1.8 NCCN1C=CN=C1 8445AB [1,0,0,0,1,0|2,0,0]=4 611 B8R1.8 OCCC1=CSC=C1 J11110 [1,0,0,0,1,0|2,0,0]=4 612 B12R1.27 CC(CO)NCC1=CC=CC=C1 8255AE [0,0,0,0,0,2|1,0,0]=3 613 B12R1.27 CCC(O)C#CC1=CC=CC=C1 1009AQ [0,0,0,0,0,2|2,0,0]=4 614 B12R1.27 OC[C@H](O)COC1=CC=CC=C1 Y7489 [0,0,0,0,0,2|2,0,0]=4