0 B11R2.4 NC1CC1C2=CC=CC=C2 2168AL [0,0,0,0,0,0|0,0,0]=0 1 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 8373AH [0,0,0,0,0,0|0,0,0]=0 2 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 8412AH [0,0,0,0,0,0|0,0,0]=0 3 B10R2.6 C1=CC(C2CC2)=CC=N1 Z0635 [1,0,0,0,0,0|1,0,0]=2 4 B12R2.27 OCC1CC1C2=CC=CC=C2 9271AB [0,1,0,0,0,0|1,0,0]=2 5 B12R2.27 OC[C@H]1O[C@@H]1C2=CC=CC=C2 7395AJ [0,1,0,0,0,0|2,0,0]=3 6 B12R2.80 NC1CC1C2=CC(Cl)=CC=C2 5207AJ [0,1,0,0,0,0|0,0,0]=1 7 B10R1.15 C#C[C@@H](O)C1=CC=CC=C1 4800AJ [0,0,1,0,0,0|2,0,1]=4 8 B10R1.15 C#C[C@H](O)C1=CC=CC=C1 4836AJ [0,0,1,0,0,0|2,0,1]=4 9 B10R1.15 C=C(CC)C1=CC=CC=C1 0460AB [0,0,1,0,0,0|1,0,2]=4 10 B10R1.15 CCC(Cl)C1=CC=CC=C1 1017AL [0,0,1,0,0,0|2,0,0]=3 11 B10R1.15 CCC(N)C1=CC=CC=C1 8188AD [0,0,1,0,0,0|2,0,0]=3 12 B10R1.15 CCC(N)C1=CC=CN=C1 4943AJ [0,0,1,0,0,0|3,0,0]=4 13 B10R1.15 CCC(N)C1=CC=CN=C1 4945AJ [0,0,1,0,0,0|3,0,0]=4 14 B10R1.15 CCC(N)C1=CC=NC=C1 4998AJ [0,0,1,0,0,0|3,0,0]=4 15 B10R1.15 CCN(C)C1=CC=CC=N1 5048AL [0,0,1,0,0,0|3,0,0]=4 16 B10R1.15 CC[C@@H](O)C1=CC=CC=C1 7435AJ [0,0,1,0,0,0|2,0,0]=3 17 B10R1.15 CC[C@H](O)C1=CC=CC=C1 7483AJ [0,0,1,0,0,0|2,0,0]=3 18 B10R1.15 CN[C@H](C)C1=CC=CC=C1 O017 [0,0,1,0,0,0|2,0,0]=3 19 B10R1.15 C[C@H](CN)C1=CC=CC=C1 U641 [0,0,1,0,0,0|0,0,0]=1 20 B10R1.15 C\C(=N/N)C1=CC=CC=C1 1678AL [0,0,1,0,0,0|1,0,1]=3 21 B10R1.15 FC(CBr)C1=CC=CC=C1 9366AA [0,0,1,0,0,0|2,0,0]=3 22 B10R1.15 NC(CF)C1=CC=CC=C1 0514AQ [0,0,1,0,0,0|2,0,0]=3 23 B10R1.15 NC(CO)C1=CC=CN=C1 1473AJ [0,0,1,0,0,0|3,0,0]=4 24 B10R1.15 NC(CO)C1=CC=CN=C1 W5825 [0,0,1,0,0,0|3,0,0]=4 25 B10R1.15 NC(CO)C1=CC=NC=C1 1467AJ [0,0,1,0,0,0|3,0,0]=4 26 B10R1.15 NCC(=O)C1=CC=CN=C1 1930AJ [0,0,1,0,0,0|2,0,1]=4 27 B10R1.15 NCC(=O)C1=CC=NC=C1 7230AB [0,0,1,0,0,0|2,0,1]=4 28 B10R1.15 NCC(=O)C1=CN=CC=C1 1455AJ [0,0,1,0,0,0|2,0,1]=4 29 B10R1.15 NCC(N)C1=CC=CC=C1 8359AB [0,0,1,0,0,0|1,0,0]=2 30 B10R1.15 NCC(N)C1=CC=CC=C1 8461AA [0,0,1,0,0,0|1,0,0]=2 31 B10R1.15 NCC(O)C1=CC=CC=N1 1453AJ [0,0,1,0,0,0|2,0,0]=3 32 B10R1.15 NCC(O)C1=CC=CN=C1 5133AH [0,0,1,0,0,0|2,0,0]=3 33 B10R1.15 NCC(O)C1=CC=NC=C1 1457AJ [0,0,1,0,0,0|2,0,0]=3 34 B10R1.15 NCC(O)C1=NC=CC=C1 9384AJ [0,0,1,0,0,0|2,0,0]=3 35 B10R1.15 NC[C@H](O)C1=CC=CN=C1 Z3832 [0,0,1,0,0,0|2,0,0]=3 36 B10R1.15 OC(CBr)C1=CC=CC=C1 W4218 [0,0,1,0,0,0|2,0,0]=3 37 B10R1.17 CCCCC1=CC=NC=C1 Y9365 [0,0,1,0,0,0|2,0,0]=3 38 B10R1.17 CCCCC1=NC=CC=C1 S413 [0,0,1,0,0,0|2,0,0]=3 39 B10R1.17 CCNCC1=CC=CN=C1 Y5832 [0,0,1,0,0,0|3,0,0]=4 40 B10R1.17 CNCCC1=CC=NC=C1 5552AE [0,0,1,0,0,0|3,0,0]=4 41 B10R1.17 CNCCC1=CC=NC=C1 5553AE [0,0,1,0,0,0|3,0,0]=4 42 B10R1.17 CNCCC1=CC=NC=C1 X8552 [0,0,1,0,0,0|3,0,0]=4 43 B10R1.17 N#CCCC1=CC=CC=N1 1449AE [0,0,1,0,0,0|1,0,2]=4 44 B10R1.17 N#CCCC1=CC=NC=C1 2937AC [0,0,1,0,0,0|1,0,2]=4 45 B10R1.17 NCC#CC1=CC=CC=C1 1105AQ [0,0,1,0,0,0|0,0,2]=3 46 B10R1.17 NCCCC1=CC=CC=N1 7820AA [0,0,1,0,0,0|1,0,0]=2 47 B10R1.17 NCCCC1=CC=CN=C1 X2118 [0,0,1,0,0,0|1,0,0]=2 48 B10R1.17 NCCCC1=CC=NC=C1 2037AJ [0,0,1,0,0,0|1,0,0]=2 49 B10R1.17 NCCNC1=CC=CN=C1 4424AJ [0,0,1,0,0,0|2,0,0]=3 50 B10R1.17 NCCOC1=CC=NC=C1 1280AJ [0,0,1,0,0,0|2,0,0]=3 51 B10R1.17 NCCOC1=CC=NC=C1 2194AB [0,0,1,0,0,0|2,0,0]=3 52 B10R1.17 NCCSC1=CC=CC=C1 6800AD [0,0,1,0,0,0|1,0,0]=2 53 B10R1.17 NCCSC1=CC=CC=N1 3135AE [0,0,1,0,0,0|2,0,0]=3 54 B10R1.17 O=CCOC1=CC=CC=C1 0811AB [0,0,1,0,0,0|2,0,1]=4 55 B10R1.17 OCCCC1=CCC=CC1 X3903 [0,0,1,0,0,0|1,0,2]=4 56 B10R1.17 OCCSC1=CC=CC=C1 K990 [0,0,1,0,0,0|2,0,0]=3 57 B10R1.17 [C-]#[N+]CCC1=CC=CC=C1 Z6329 [0,0,1,0,0,0|2,0,0]=3 58 B10R1.18 CC(=O)CC1=CN=CC=C1 9974AH [0,0,1,0,0,0|2,0,1]=4 59 B10R1.18 CC(C)=CC1=CC=CC=C1 1982AC [0,0,1,0,0,0|1,0,2]=4 60 B10R1.18 CC(C)CC1=CC=NC=C1 6191AJ [0,0,1,0,0,0|2,0,0]=3 61 B10R1.18 CC(C)CC1=NC=CN=C1 R582 [0,0,1,0,0,0|3,0,0]=4 62 B10R1.18 CC(N)CC1=CC=CC=N1 4560AE [0,0,1,0,0,0|1,0,0]=2 63 B10R1.18 CC(N)CC1=CC=NC=C1 4587AH [0,0,1,0,0,0|1,0,0]=2 64 B10R1.18 CC(N)CC1=CN=CC=N1 4220AC [0,0,1,0,0,0|2,0,0]=3 65 B10R1.18 C[C@@H](O)CC1=CC=CC=C1 7881AA [0,0,1,0,0,0|1,0,0]=2 66 B10R1.18 N=C(N)CC1=CC=CC=C1 1942AB [0,0,1,0,0,0|1,0,1]=3 67 B10R1.18 N=C(N)CC1=NC=CC=C1 0398AD [0,0,1,0,0,0|2,0,1]=4 68 B12R3.12 C1=CC2=C(C=C1)C3OC3C2 9741AJ [0,0,0,1,0,0|2,0,0]=3 69 B12R2.22 O=C1CC(C2=CC=CC=C2)N1 8284AB [0,0,0,0,0,1|1,0,1]=3 70 B9R1.6 CC(Cl)C1=CC=CC=C1 U237 [1,0,1,0,0,0|1,0,0]=3 71 B9R1.6 CC(Cl)C1=NC=CC=C1 1002AJ [1,0,1,0,0,0|2,0,0]=4 72 B9R1.6 CC(N)C1=CN=CN=C1 9547AH [1,0,1,0,0,0|2,0,0]=4 73 B9R1.6 CN(C)C1=NC=CC=C1 8318AB [1,0,1,0,0,0|2,0,0]=4 74 B9R1.6 CN(N)C1=NC=CC=C1 Y9071 [1,0,1,0,0,0|2,0,0]=4 75 B9R1.6 CP(C)C1=CC=CC=C1 7271AL [1,0,1,0,0,0|1,0,0]=3 76 B9R1.6 C[C@@H](O)C1=CN=CC=C1 1829AC [1,0,1,0,0,0|2,0,0]=4 77 B9R1.6 C[C@H](N)C1=CC=CN=C1 2674AB [1,0,1,0,0,0|1,0,0]=3 78 B9R1.6 C[C@H](O)C1=CN=CC=C1 7054AB [1,0,1,0,0,0|2,0,0]=4 79 B9R1.8 BrCCC1=CC=CC=N1 5125AB [1,0,1,0,0,0|2,0,0]=4 80 B9R1.8 CCC[N+]1=CC=CC=C1 4961AL [1,0,1,0,0,0|1,0,0]=3 81 B9R1.8 CCC[N+]1=CC=CC=C1 K559 [1,0,1,0,0,0|1,0,0]=3 82 B9R1.8 CNCC1=CC=CC=C1 3855AD [1,0,1,0,0,0|1,0,0]=3 83 B9R1.8 CNCC1=CC=CC=N1 0916AP [1,0,1,0,0,0|2,0,0]=4 84 B9R1.8 CNCC1=CC=CC=N1 7146AD [1,0,1,0,0,0|2,0,0]=4 85 B9R1.8 CNCC1=CC=NC=C1 7436AH [1,0,1,0,0,0|2,0,0]=4 86 B9R1.8 CNNC1=CC=CC=C1 V2456 [1,0,1,0,0,0|2,0,0]=4 87 B9R1.8 C\C=C\C1=CC=CC=C1 7209AE [1,0,1,0,0,0|0,0,2]=4 88 B9R1.8 ClCCC1=NC=CC=C1 X6257 [1,0,1,0,0,0|2,0,0]=4 89 B9R1.8 NCCC1=CC=CC=C1 5784AL [1,0,1,0,0,0|0,0,0]=2 90 B9R1.8 NCCC1=CN=CC=N1 1878AJ [1,0,1,0,0,0|2,0,0]=4 91 B9R1.8 NCCC1=NC=CC=N1 X3774 [1,0,1,0,0,0|2,0,0]=4 92 B9R1.8 NCCC1=NC=CN=C1 Y9352 [1,0,1,0,0,0|2,0,0]=4 93 B9R1.8 NOCC1=CC=CN=C1 7306AJ [1,0,1,0,0,0|2,0,0]=4 94 B9R1.8 SCCC1=CC=NC=C1 9519AJ [1,0,1,0,0,0|2,0,0]=4 95 B9R1.8 [C-]#[N+]CC1=CC=CC=C1 3482AH [1,0,1,0,0,0|1,0,1]=4 96 B11R1.7 CC(O)(CN)C1=CC=CC=C1 4663AH [0,1,1,0,0,0|0,0,0]=2 97 B11R1.7 NCC(F)(F)C1=CC=CC=C1 V5700 [0,1,1,0,0,0|1,0,0]=3 98 B11R1.7 NCC(F)(F)C1=NC=CC=C1 2429AB [0,1,1,0,0,0|2,0,0]=4 99 B11R1.12 CCC(CN)C1=CC=CC=C1 V4239 [0,1,1,0,0,0|0,0,0]=2 100 B11R1.12 CCC(NN)C1=CC=CC=C1 8342AH [0,1,1,0,0,0|1,0,0]=3 101 B11R1.12 CN[C@H](CO)C1=CC=CC=C1 7034AA [0,1,1,0,0,0|1,0,0]=3 102 B11R1.12 CO[C@@H](CO)C1=CC=CC=C1 9242AA [0,1,1,0,0,0|1,0,0]=3 103 B11R1.12 NCC(CO)C1=CC=CC=C1 2344AL [0,1,1,0,0,0|0,0,0]=2 104 B11R1.16 C#CCC(N)C1=CC=CC=C1 2882AA [0,1,1,0,0,0|2,0,0]=4 105 B11R1.16 CC(CCN)C1=CC=CC=C1 2059AE [0,1,1,0,0,0|0,0,0]=2 106 B11R1.16 CCNC(C)C1=CC=CC=C1 7343AC [0,1,1,0,0,0|1,0,0]=3 107 B11R1.16 CN(CCN)C1=CC=CC=C1 3619AL [0,1,1,0,0,0|1,0,0]=3 108 B11R1.16 CNCC(C)C1=CC=CC=C1 3764AF [0,1,1,0,0,0|0,0,0]=2 109 B11R1.16 CNCC(C)C1=CC=CC=C1 6409AE [0,1,1,0,0,0|0,0,0]=2 110 B11R1.16 COC[C@@H](N)C1=CC=CC=C1 V8983 [0,1,1,0,0,0|2,0,0]=4 111 B11R1.16 COC[C@H](N)C1=CC=CC=C1 V7107 [0,1,1,0,0,0|2,0,0]=4 112 B11R1.16 ClCCC(Br)C1=CC=CC=C1 V4390 [0,1,1,0,0,0|2,0,0]=4 113 B11R1.16 NCC[C@@H](O)C1=CC=CC=C1 8991AH [0,1,1,0,0,0|1,0,0]=3 114 B11R1.16 NCC[C@H](O)C1=CC=CC=C1 9158AH [0,1,1,0,0,0|1,0,0]=3 115 B11R1.22 CC1=CC=C(C(O)CN)C=C1 7582AB [0,1,1,0,0,0|1,0,0]=3 116 B11R1.22 CC1=CC=C(C(O)CN)C=C1 9378AJ [0,1,1,0,0,0|1,0,0]=3 117 B11R1.22 CCC(N)C1=CC=C(C)C=C1 5656AD [0,1,1,0,0,0|2,0,0]=4 118 B11R1.22 CCC(N)C1=CC=C(Cl)C=C1 9145AE [0,1,1,0,0,0|2,0,0]=4 119 B11R1.22 CCC(N)C1=CC=C(F)C=C1 8597AC [0,1,1,0,0,0|2,0,0]=4 120 B11R1.22 CCC(N)C1=CC=C(F)C=C1 9157AE [0,1,1,0,0,0|2,0,0]=4 121 B11R1.22 CC[C@@H](N)C1=CC=C(C)C=C1 1684AB [0,1,1,0,0,0|2,0,0]=4 122 B11R1.22 CC[C@H](N)C1=CC=C(Cl)C=C1 Y6691 [0,1,1,0,0,0|2,0,0]=4 123 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 X9085 [0,1,1,0,0,0|2,0,0]=4 124 B11R1.22 COC(C)C1=CC=C(Br)C=C1 6457AE [0,1,1,0,0,0|2,0,0]=4 125 B11R1.22 NCC(=O)C1=CC=C(I)C=C1 9286AB [0,1,1,0,0,0|1,0,1]=4 126 B11R1.22 NCC(O)C1=CC=C(Br)C=C1 1817AC [0,1,1,0,0,0|1,0,0]=3 127 B11R1.22 NCC(O)C1=CC=C(Br)C=C1 X4763 [0,1,1,0,0,0|1,0,0]=3 128 B11R1.22 NCC(O)C1=CC=C(Cl)C=C1 3000AE [0,1,1,0,0,0|1,0,0]=3 129 B11R1.22 NCC(O)C1=CC=C(Cl)C=C1 9601AB [0,1,1,0,0,0|1,0,0]=3 130 B11R1.22 NCC(O)C1=CC=C(F)C=C1 3928AE [0,1,1,0,0,0|1,0,0]=3 131 B11R1.22 NCC(O)C1=CC=C(F)C=C1 5412AB [0,1,1,0,0,0|1,0,0]=3 132 B11R1.22 N[C@H](CO)C1=CC=C(F)C=C1 X6771 [0,1,1,0,0,0|2,0,0]=4 133 B11R1.22 OCC(Cl)C1=CC=C(Cl)C=C1 2030AL [0,1,1,0,0,0|2,0,0]=4 134 B11R1.23 CC(CO)C1=CC=CC(=O)C1 W6317 [0,1,1,0,0,0|1,0,1]=4 135 B11R1.23 CC1=CC(C(=O)CN)=CC=C1 0979AC [0,1,1,0,0,0|1,0,1]=4 136 B11R1.23 CC1=CC=CC(C(O)CN)=C1 7583AB [0,1,1,0,0,0|1,0,0]=3 137 B11R1.23 CCC(N)C1=CC(Cl)=CC=C1 2535AE [0,1,1,0,0,0|2,0,0]=4 138 B11R1.23 CCC(N)C1=CC(N)=CC=C1 1913AJ [0,1,1,0,0,0|2,0,0]=4 139 B11R1.23 CCN(C)C1=CC(N)=CC=C1 9949AH [0,1,1,0,0,0|2,0,0]=4 140 B11R1.23 CC[C@@H](N)C1=CC=CC(F)=C1 X9176 [0,1,1,0,0,0|2,0,0]=4 141 B11R1.23 CC[C@H](N)C1=CC=CC(Cl)=C1 9082AH [0,1,1,0,0,0|2,0,0]=4 142 B11R1.23 CNC(C)C1=CC=CC(Cl)=C1 W3261 [0,1,1,0,0,0|2,0,0]=4 143 B11R1.23 NC(CO)C1=CC(Cl)=CC=C1 3155AH [0,1,1,0,0,0|2,0,0]=4 144 B11R1.23 NCC(=O)C1=CC(F)=CC=C1 5755AC [0,1,1,0,0,0|1,0,1]=4 145 B11R1.23 NCC(=O)C1=CC=CC(Cl)=C1 V2280 [0,1,1,0,0,0|1,0,1]=4 146 B11R1.23 NCC(O)C1=CC(Cl)=CC=C1 2712AC [0,1,1,0,0,0|1,0,0]=3 147 B11R1.23 NCC(O)C1=CC(Cl)=CC=C1 7584AB [0,1,1,0,0,0|1,0,0]=3 148 B11R1.23 NCC(O)C1=CC(F)=CC=C1 5405AB [0,1,1,0,0,0|1,0,0]=3 149 B11R1.23 NC[C@@H](O)C1=CC=CC(Cl)=C1 X5098 [0,1,1,0,0,0|1,0,0]=3 150 B11R1.23 N[C@@H](CO)C1=CC(Cl)=CC=C1 N836 [0,1,1,0,0,0|2,0,0]=4 151 B11R1.23 OC[C@H](O)C1=CC=CC(Cl)=C1 X3148 [0,1,1,0,0,0|2,0,0]=4 152 B11R1.23 O[C@@H](CCl)C1=CC=CC(Cl)=C1 6985AA [0,1,1,0,0,0|2,0,0]=4 153 B11R1.36 CC(=O)C(C)C1=CC=CC=C1 2006AC [0,1,1,0,0,0|1,0,1]=4 154 B11R1.36 CC(C)C(N)C1=CC=CC=C1 1780AB [0,1,1,0,0,0|2,0,0]=4 155 B11R1.36 CC(C)[C@@H](N)C1=CC=CC=C1 7205AB [0,1,1,0,0,0|2,0,0]=4 156 B11R1.36 CC(C)[C@H](O)C1=CC=CC=C1 N145 [0,1,1,0,0,0|2,0,0]=4 157 B11R1.36 NC(=O)C(Cl)C1=CC=CC=C1 9111AE [0,1,1,0,0,0|1,0,1]=4 158 B11R1.222 CC1=C(C(O)CN)C=CC=C1 5054AH [0,1,1,0,0,0|1,0,0]=3 159 B11R1.222 CC1=CC=CC=C1C(=O)CN X6576 [0,1,1,0,0,0|1,0,1]=4 160 B11R1.222 CC[C@@H](N)C1=CC=CC=C1C W8813 [0,1,1,0,0,0|2,0,0]=4 161 B11R1.222 CC[C@H](N)C1=CC=CC=C1Cl W8965 [0,1,1,0,0,0|2,0,0]=4 162 B11R1.222 CNC(C)C1=CC=CC=C1Cl W6646 [0,1,1,0,0,0|2,0,0]=4 163 B11R1.222 NCC(O)C1=CC=CC=C1F 3587AB [0,1,1,0,0,0|1,0,0]=3 164 B11R1.1 C=CCCC1=CC=C(C)C=C1 6965AD [0,1,1,0,0,0|1,0,1]=4 165 B11R1.1 CC1=CC=C(NCCO)C=C1 9296AD [0,1,1,0,0,0|2,0,0]=4 166 B11R1.1 CC1=CC=C(OCCBr)C=C1 V3999 [0,1,1,0,0,0|2,0,0]=4 167 B11R1.1 CC1=CC=C(OCCCl)C=C1 7057AD [0,1,1,0,0,0|2,0,0]=4 168 B11R1.1 CCCCC1=CC=C(C)C=C1 Z2332 [0,1,1,0,0,0|1,0,0]=3 169 B11R1.1 CCCCC1=CC=C(Cl)N=C1 6440AA [0,1,1,0,0,0|2,0,0]=4 170 B11R1.1 CCCCC1=CN=C(C)C=C1 5821AH [0,1,1,0,0,0|2,0,0]=4 171 B11R1.1 CCNCC1=CC=C(N)C=C1 7272AJ [0,1,1,0,0,0|2,0,0]=4 172 B11R1.1 CCNCC1=CC=C(O)C=C1 6053AJ [0,1,1,0,0,0|2,0,0]=4 173 B11R1.1 CNCCC1=CC=C(Br)C=C1 V7496 [0,1,1,0,0,0|2,0,0]=4 174 B11R1.1 CNCCC1=CC=C(N)C=C1 X8249 [0,1,1,0,0,0|2,0,0]=4 175 B11R1.1 ClCCCC1=CC=C(Br)C=C1 Y9960 [0,1,1,0,0,0|1,0,0]=3 176 B11R1.1 FC1=CC=C(CCCBr)C=C1 V4639 [0,1,1,0,0,0|1,0,0]=3 177 B11R1.1 FCCOC1=CC=C(Br)C=C1 V5244 [0,1,1,0,0,0|2,0,0]=4 178 B11R1.1 NC1=CC=C(CCCO)C=C1 7207AA [0,1,1,0,0,0|1,0,0]=3 179 B11R1.1 NCCCC1=CC=C(F)C=C1 3289AD [0,1,1,0,0,0|0,0,0]=2 180 B11R1.1 NCCCC1=CC=C(F)C=C1 7357AC [0,1,1,0,0,0|0,0,0]=2 181 B11R1.1 NCCCC1=CC=C(N)C=C1 9266AB [0,1,1,0,0,0|0,0,0]=2 182 B11R1.1 NCCNC1=CC=C(Cl)C=C1 4194AD [0,1,1,0,0,0|1,0,0]=3 183 B11R1.1 NCCNC1=CC=C(F)C=C1 4360AJ [0,1,1,0,0,0|1,0,0]=3 184 B11R1.1 OCCCC1=CC=C(Br)N=C1 0074AC [0,1,1,0,0,0|2,0,0]=4 185 B11R1.1 OCCCC1=CC=C(F)C=C1 V7380 [0,1,1,0,0,0|1,0,0]=3 186 B11R1.17 CC1=C(NCCO)C=CC=C1 4010AD [0,1,1,0,0,0|2,0,0]=4 187 B11R1.17 CC1=C(OCCCl)C=CC=C1 7182AD [0,1,1,0,0,0|2,0,0]=4 188 B11R1.17 CC1=CC=CC=C1OCCBr 9799AA [0,1,1,0,0,0|2,0,0]=4 189 B11R1.17 CCCCC1=C(N)C=CC=C1 5551AL [0,1,1,0,0,0|1,0,0]=3 190 B11R1.17 CCCNC1=C(Cl)C=CC=C1 5500AE [0,1,1,0,0,0|2,0,0]=4 191 B11R1.17 CCCOC1=CC=CC=C1N 3820AE [0,1,1,0,0,0|2,0,0]=4 192 B11R1.17 ClC1=CC=CC=C1CCCBr V6557 [0,1,1,0,0,0|1,0,0]=3 193 B11R1.17 FC1=CC=CC=C1CCCBr Z9473 [0,1,1,0,0,0|1,0,0]=3 194 B11R1.17 N#CCCC1=C(N)C=CC=C1 8000AB [0,1,1,0,0,0|0,0,2]=4 195 B11R1.17 NC1=C(CCCO)C=CC=C1 8496AB [0,1,1,0,0,0|1,0,0]=3 196 B11R1.17 NC1=CC=CC=C1OCCBr V2926 [0,1,1,0,0,0|2,0,0]=4 197 B11R1.17 NCCCN1C=CC=CC1=O 0650AA [0,1,1,0,0,0|1,0,0]=3 198 B11R1.17 NCCOC1=C(Cl)C=CC=C1 8744AD [0,1,1,0,0,0|1,0,0]=3 199 B11R1.17 NCCOC1=CC=CC=C1F Z8222 [0,1,1,0,0,0|1,0,0]=3 200 B11R1.17 OCCCC1=CC=CC=C1Cl V6977 [0,1,1,0,0,0|1,0,0]=3 201 B11R1.24 C=CCCC1=CC=CC(Cl)=C1 2995AF [0,1,1,0,0,0|1,0,1]=4 202 B11R1.24 CC1=CC(CCCO)=CC=C1 3205AH [0,1,1,0,0,0|1,0,0]=3 203 B11R1.24 CC1=CC(OCCBr)=CC=C1 7438AE [0,1,1,0,0,0|2,0,0]=4 204 B11R1.24 CC1=CC=CC(OCCO)=C1 5007AL [0,1,1,0,0,0|2,0,0]=4 205 B11R1.24 CCCCC1=CC=CC(N)=N1 Y4830 [0,1,1,0,0,0|2,0,0]=4 206 B11R1.24 CCCNC1=CC(C)=CC=C1 4247AD [0,1,1,0,0,0|2,0,0]=4 207 B11R1.24 CCCNC1=CC(Cl)=CC=C1 9833AD [0,1,1,0,0,0|2,0,0]=4 208 B11R1.24 CCCOC1=CC=CC(N)=C1 3821AE [0,1,1,0,0,0|2,0,0]=4 209 B11R1.24 CNCCC1=CC=CC(F)=C1 V6333 [0,1,1,0,0,0|2,0,0]=4 210 B11R1.24 ClC1=CC(CCCBr)=CC=C1 V8963 [0,1,1,0,0,0|1,0,0]=3 211 B11R1.24 N#CCCC1=CC=CC(Br)=C1 1944AE [0,1,1,0,0,0|0,0,2]=4 212 B11R1.24 NCCCC1=CC=CC(Cl)=C1 HTS033081 [0,1,1,0,0,0|0,0,0]=2 213 B11R1.24 NCCOC1=CC(Br)=CN=C1 2060AA [0,1,1,0,0,0|2,0,0]=4 214 B11R1.24 NCCOC1=CC=CC(F)=C1 Z8223 [0,1,1,0,0,0|1,0,0]=3 215 B11R1.24 O=CCCC1=CC=CC(Cl)=C1 3971AD [0,1,1,0,0,0|1,0,1]=4 216 B11R1.24 O=CCCC1=CC=CC(F)=C1 1852AB [0,1,1,0,0,0|1,0,1]=4 217 B11R1.24 OCCCC1=CC=CC(Cl)=C1 V4535 [0,1,1,0,0,0|1,0,0]=3 218 B11R1.28 CCOCCC1=NC=CC=C1 Y8563 [0,1,1,0,0,0|2,0,0]=4 219 B11R1.28 CNCCCC1=CC=CC=C1 1600AB [0,1,1,0,0,0|0,0,0]=2 220 B11R1.28 ClCCCOC1=CC=CC=C1 0684AE [0,1,1,0,0,0|1,0,0]=3 221 B11R1.28 ClCCNCC1=CC=CC=C1 3046AE [0,1,1,0,0,0|1,0,0]=3 222 B11R1.28 ClCCNCC1=CC=CC=C1 7007AE [0,1,1,0,0,0|1,0,0]=3 223 B11R1.28 NCCCCC1=CC=CC=C1 9681AD [0,1,1,0,0,0|0,0,0]=2 224 B11R1.28 NOCOCC1=CC=CC=C1 2357AF [0,1,1,0,0,0|1,0,0]=3 225 B11R1.28 O=CCCCC1=CC=CC=C1 6150AD [0,1,1,0,0,0|1,0,0]=3 226 B11R1.28 OCCCCC1=CC=CN=C1 5963AJ [0,1,1,0,0,0|2,0,0]=4 227 B11R1.28 OCCCCC1=CC=NC=C1 5977AJ [0,1,1,0,0,0|2,0,0]=4 228 B11R1.28 OCCNCC1=CC=CC=N1 0192AC [0,1,1,0,0,0|2,0,0]=4 229 B11R1.28 S=C=NCCC1=CC=CC=C1 J70186 [0,1,1,0,0,0|1,0,1]=4 230 B11R1.40 C=C[C@@H](N)CC1=CC=CC=C1 Y7506 [0,1,1,0,0,0|1,0,1]=4 231 B11R1.40 CC(CN)CC1=CC=CC=C1 2217AC [0,1,1,0,0,0|0,0,0]=2 232 B11R1.40 CC(CN)OC1=CC=CC=C1 Y9709 [0,1,1,0,0,0|1,0,0]=3 233 B11R1.40 N#CC(Br)CC1=CC=CC=C1 V6952 [0,1,1,0,0,0|0,0,2]=4 234 B11R1.40 N#CC(N)CC1=CC=CC=C1 V6584 [0,1,1,0,0,0|0,0,2]=4 235 B11R1.40 N#CC(N)CC1=CC=CC=C1 V9283 [0,1,1,0,0,0|0,0,2]=4 236 B11R1.91 CC(Cl)COC1=CC=CC=C1 4945AL [0,1,1,0,0,0|2,0,0]=4 237 B11R1.91 CC(N)COC1=CC=CC=C1 4356AB [0,1,1,0,0,0|1,0,0]=3 238 B11R1.91 N=C(N)CCC1=CC=CC=C1 8227AD [0,1,1,0,0,0|0,0,1]=3 239 B11R1.91 N=C(N)CSC1=CC=CC=C1 0460AF [0,1,1,0,0,0|1,0,1]=4 240 B11R1.91 NC(=O)CCC1=NC=CC=C1 5628AJ [0,1,1,0,0,0|1,0,1]=4 241 B11R1.91 NC(=[NH2+])SCC1=CC=CC=C1 AMTEC014 [0,1,1,0,0,0|1,0,1]=4 242 B11R1.91 NC(N)=NCC1=CC=CC=C1 7568AD [0,1,1,0,0,0|1,0,1]=4 243 B11R1.20 CC(C)CC1=CC=C(N)C=C1 3122AB [0,1,1,0,0,0|1,0,0]=3 244 B11R1.20 CC(C)NC1=CC=C(Cl)C=C1 2014AC [0,1,1,0,0,0|2,0,0]=4 245 B11R1.20 CC(C)NC1=CC=C(F)C=C1 W7991 [0,1,1,0,0,0|2,0,0]=4 246 B11R1.20 CC(C)OC1=CC=C(F)C=C1 Z0614 [0,1,1,0,0,0|2,0,0]=4 247 B11R1.86 CC(=O)CC1=CC=CC=C1C 7072AB [0,1,1,0,0,0|1,0,1]=4 248 B11R1.86 CC(C)CC1=C(N)C=CC=C1 5195AJ [0,1,1,0,0,0|1,0,0]=3 249 B11R1.86 CC(C)NC1=CC=CC=C1N Z3346 [0,1,1,0,0,0|2,0,0]=4 250 B11R1.86 CN(C)CC1=C(F)C=CC=C1 1557AB [0,1,1,0,0,0|2,0,0]=4 251 B11R1.86 CN(C)CC1=C(O)C=CC=C1 8448AD [0,1,1,0,0,0|2,0,0]=4 252 B11R1.86 CN(C)CC1=CC=CC=C1N 9984AH [0,1,1,0,0,0|2,0,0]=4 253 B11R1.86 N=C(N)CC1=CC=CC=C1Br 3452AD [0,1,1,0,0,0|1,0,1]=4 254 B11R1.86 N=C(N)CC1=CC=CC=C1Cl V6572 [0,1,1,0,0,0|1,0,1]=4 255 B11R1.157 CC(C)CC1=CC=CC(N)=C1 5897AA [0,1,1,0,0,0|1,0,0]=3 256 B11R1.157 CC1=CC=CC(CC(C)N)=N1 1063AC [0,1,1,0,0,0|1,0,0]=3 257 B11R1.157 N=C(N)CC1=CC(Cl)=CC=C1 9927AB [0,1,1,0,0,0|1,0,1]=4 258 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 5351AA [0,1,1,0,0,0|2,0,0]=4 259 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 7156AL [0,1,1,0,0,0|2,0,0]=4 260 B11R1.509 C[Si](C)(Cl)CC1=CC=CC=C1 7150AL [0,1,1,0,0,0|1,1,0]=4 261 B11R2.34 BrC1=CC=C(C2CC2)N=N1 2208AJ [1,1,0,0,0,0|2,0,0]=4 262 B11R2.34 BrC1=CC=C(C2CO2)C=C1 1753AL [1,1,0,0,0,0|1,0,0]=3 263 B11R2.34 ClC1=CC=C(C2CC2)C=C1 V3884 [1,1,0,0,0,0|0,0,0]=2 264 B11R2.34 ClC1=NC=C(C2CC2)C=N1 5519AJ [1,1,0,0,0,0|2,0,0]=4 265 B11R2.34 FC1=CC=C(C2CC2)C=C1 V3957 [1,1,0,0,0,0|0,0,0]=2 266 B11R2.34 NC1=NC=C(C2CC2)C=N1 X0165 [1,1,0,0,0,0|2,0,0]=4 267 B11R2.35 BrC1=CC(C2CC2)=NC=C1 1717AA [1,1,0,0,0,0|1,0,0]=3 268 B11R2.35 ClC1=CC([C@@H]2CO2)=CC=C1 I069 [1,1,0,0,0,0|1,0,0]=3 269 B11R2.35 NC1=NC(C2CC2)=NC=C1 1685AJ [1,1,0,0,0,0|2,0,0]=4 270 B11R2.35 NC1=NC=CC(C2CC2)=N1 X6397 [1,1,0,0,0,0|2,0,0]=4 271 B11R2.40 NC1(C2=CC=CC=C2)CC1 X2090 [1,1,0,0,0,0|0,0,0]=2 272 B11R2.40 NC1(C2=CC=NC=C2)CC1 2692AD [1,1,0,0,0,0|1,0,0]=3 273 B11R2.40 NC1(C2=CN=CC=C2)CC1 6906AB [1,1,0,0,0,0|1,0,0]=3 274 B11R2.40 NC1(C2=NC=CC=C2)CC1 6037AB [1,1,0,0,0,0|1,0,0]=3 275 B11R2.55 BrC1=C(C2CC2)C=CC=C1 8539AB [1,1,0,0,0,0|0,0,0]=2 276 B11R2.55 ClC1=C(C2CO2)C=CC=C1 U890 [1,1,0,0,0,0|1,0,0]=3 277 B11R2.55 NC1=CC=CC=C1C2CC2 Z0502 [1,1,0,0,0,0|0,0,0]=2 278 B13R2.147 OC1CC(C2=CC=C(Br)C=C2)C1 5654AJ [0,1,0,0,0,1|1,0,0]=3 279 B13R2.151 O=C1CC(C2=CC=CC(Br)=C2)C1 4166AC [0,1,0,0,0,1|1,0,1]=4 280 B13R2.25 O=C=N[C@@H]1C[C@H]1C2=CC=CC=C2 5843AF [0,2,0,0,0,0|0,0,1]=3 281 B13R2.423 O=C(O)C1CC1C2=CC=CC=C2 8324AB [0,2,0,0,0,0|1,0,0]=3 282 B13R2.423 O=C(O)C1CC1C2=NC=CC=C2 1279AJ [0,2,0,0,0,0|2,0,0]=4 283 B13R2.423 O=C(O)[C@@H]1C[C@@H]1C2=CC=CC=C2 6031AC [0,2,0,0,0,0|1,0,0]=3 284 B11R2.1 NC1COC2=CC=CC=C21 1367AJ [0,0,1,1,0,0|2,0,0]=4 285 B11R2.1 NC1COC2=CC=CC=C21 4904AH [0,0,1,1,0,0|2,0,0]=4 286 B11R2.1 N[C@H]1COC2=C1C=CC=C2 1110AL [0,0,1,1,0,0|2,0,0]=4 287 B11R2.1 O[C@@H]1CCC2=C1C=CC=C2 C126 [0,0,1,1,0,0|2,0,0]=4 288 B11R2.239 C1=CC(C2CNC2)=CC=N1 4510AA [0,0,1,1,0,0|1,0,0]=3 289 B11R2.239 C1=CC=C(C2CNC2)N=C1 0585AB [0,0,1,1,0,0|1,0,0]=3 290 B11R2.988 NCC1CC2=C1C=CC=C2 7180AC [0,0,1,1,0,0|0,0,0]=2 291 B11R2.20 C1=CC2=C(C=C1)OCCN2 6903AC [0,0,1,1,0,0|1,0,0]=3 292 B11R2.20 C1=CC2=C(C=N1)CCCO2 5895AE [0,0,1,1,0,0|2,0,0]=4 293 B11R2.20 C1=CC2=C(C=N1)NCCO2 2081AJ [0,0,1,1,0,0|2,0,0]=4 294 B11R2.20 C1=CC2=C(C=N1)OCCN2 6547AD [0,0,1,1,0,0|2,0,0]=4 295 B11R2.20 C1=CC2=C(N=C1)OCCN2 8778AC [0,0,1,1,0,0|2,0,0]=4 296 B11R2.20 C1=CC=C2CCN=CC2=C1 3596AB [0,0,1,1,0,0|2,0,0]=4 297 B11R2.20 C1=CC=C2SCCNC2=C1 X7913 [0,0,1,1,0,0|1,0,0]=3 298 B11R2.20 C1=CN=C2CCCOC2=C1 8439AE [0,0,1,1,0,0|2,0,0]=4 299 B11R2.20 C1=CN=C2OCCCC2=C1 2080AJ [0,0,1,1,0,0|2,0,0]=4 300 B11R2.238 C1=CC=C(NC2CC2)C=C1 Z3373 [0,0,1,1,0,0|2,0,0]=4 301 B9R1.11 NCC(O)C1=CC=CO1 8969AD [0,0,1,0,1,0|2,0,0]=4 302 B9R1.12 CCCCC1=CC=CO1 5552AL [0,0,1,0,1,0|2,0,0]=4 303 B9R1.12 NCCCC1=CC=CO1 3731AE [0,0,1,0,1,0|1,0,0]=3 304 B9R1.12 NCCCC1=CC=CS1 6482AE [0,0,1,0,1,0|1,0,0]=3 305 B9R1.12 NCCCC1=CNN=C1 7165AD [0,0,1,0,1,0|2,0,0]=4 306 B9R1.12 OCCCC1=CSC=C1 5648AJ [0,0,1,0,1,0|2,0,0]=4 307 B9R1.12 OCCCN1C=CC=C1 1412AL [0,0,1,0,1,0|2,0,0]=4 308 B9R1.13 CC(N)CC1=CC=CO1 8493AB [0,0,1,0,1,0|1,0,0]=3 309 B9R1.13 CC(N)CN1C=CN=C1 5070AH [0,0,1,0,1,0|2,0,0]=4 310 B9R1.13 CC(O)CC1=CC=CO1 6519AJ [0,0,1,0,1,0|2,0,0]=4 311 B9R2.2 C1=CN(C2CC2)C=C1 4548AE [1,0,0,0,1,0|1,0,0]=3 312 B9R2.2 C1=CN(C2CC2)N=C1 Z3909 [1,0,0,0,1,0|2,0,0]=4 313 B9R2.2 C1=NC(C2CC2)=CS1 6153AJ [1,0,0,0,1,0|2,0,0]=4 314 B13R2.31 NC1CN(CC2=CC=CC=C2)C1 W4602 [0,0,0,0,0,2|1,0,0]=3 315 B13R2.10 NC1CCN(C2=CC=CC=C2)C1 Y8066 [0,0,0,0,0,2|1,0,0]=3 316 B13R2.10 NC1CCN(C2=CC=NC=C2)C1 2961AA [0,0,0,0,0,2|2,0,0]=4 317 B13R2.10 O=C1CCC(C2=CC=CC=C2)C1 2386AJ [0,0,0,0,0,2|1,0,1]=4 318 B13R2.10 O=C1CC[C@H](C2=CC=CC=C2)C1 4216AL [0,0,0,0,0,2|1,0,1]=4 319 B13R2.10 S=C1N[C@@H](C2=CC=CC=C2)CS1 9678AA [0,0,0,0,0,2|1,0,1]=4 320 B13R2.15 OC1CCCC1C2=CC=CC=C2 2167AL [0,0,0,0,0,2|1,0,0]=3