0 B11R1.40 CC(CN)OC1=CC=CC=C1 23800 [0,0,0,0,0,0|3,0,0]=3 1 B11R1.40 CC(CN)OC1=CC=CN=C1 23692 [0,0,0,0,0,0|4,0,0]=4 2 B11R1.40 COC(=O)CC1=CC=CC=C1 27176 [0,0,0,0,0,0|2,0,1]=3 3 B11R1.40 NCC(O)CC1=CC=CC=C1 23757 [0,0,0,0,0,0|3,0,0]=3 4 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 03209 [0,0,0,0,0,0|3,0,0]=3 5 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 03208 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.17 CCCCC1=CC=CC=C1 27221 [1,0,0,0,0,0|1,0,0]=2 7 B10R1.17 CCCC[N+]1=CC=CC=C1 31412 [1,0,0,0,0,0|2,0,0]=3 8 B10R1.17 CCCC[N+]1=CC=CC=C1 31413 [1,0,0,0,0,0|2,0,0]=3 9 B10R1.17 CNCCC1=CC=CC=C1 23237 [1,0,0,0,0,0|0,0,0]=1 10 B10R1.17 CNCCC1=CC=CN=C1 23587 [1,0,0,0,0,0|1,0,0]=2 11 B10R1.17 CNCCC1=CC=NC=C1 17201 [1,0,0,0,0,0|1,0,0]=2 12 B10R1.17 CNCCC1=NC=CC=C1 23232 [1,0,0,0,0,0|1,0,0]=2 13 B10R1.17 ClCOCC1=CC=CC=C1 00728 [1,0,0,0,0,0|3,0,0]=4 14 B10R1.18 CC(=O)CC1=CN=CC=C1 19862 [1,0,0,0,0,0|2,0,1]=4 15 B10R1.18 CC(=O)CC1=NC=CC=C1 17928 [1,0,0,0,0,0|2,0,1]=4 16 B10R1.18 CC(=O)NC1=CC=CC=C1 06813 [1,0,0,0,0,0|2,0,1]=4 17 B10R1.18 CC(N)CC1=CC=CN=C1 17923 [1,0,0,0,0,0|1,0,0]=2 18 B10R1.18 CC(N)CC1=CC=NC=C1 17924 [1,0,0,0,0,0|1,0,0]=2 19 B10R1.18 CC(N)CC1=CN=CC=N1 17922 [1,0,0,0,0,0|2,0,0]=3 20 B10R1.18 CC(N)CC1=NC=CC=C1 17610 [1,0,0,0,0,0|1,0,0]=2 21 B12R1.32 CCOC(=O)CC1=CC=CC=C1 27212 [0,1,0,0,0,0|2,0,1]=4 22 B12R1.34 COC(=O)[C@@H](N)C1=CC=CC=C1 03127 [0,1,0,0,0,0|2,0,1]=4 23 B12R1.34 COC(=O)[C@@H](O)C1=CC=CC=C1 16613 [0,1,0,0,0,0|2,0,1]=4 24 B12R1.34 COC(=O)[C@H](N)C1=CC=CC=C1 05997 [0,1,0,0,0,0|2,0,1]=4 25 B12R1.34 COC(=O)[C@H](O)C1=CC=CC=C1 16541 [0,1,0,0,0,0|2,0,1]=4 26 B12R1.43 CC(OC1=CC=CC=C1)C(=O)O 23228 [0,1,0,0,0,0|3,0,0]=4 27 B12R1.43 CC(OC1=CC=CC=C1)C(N)=O 23313 [0,1,0,0,0,0|3,0,0]=4 28 B12R1.43 CN(C)C(=O)CC1=CC=CC=C1 24165 [0,1,0,0,0,0|1,0,1]=3 29 B12R1.43 NC(=O)C(N)CC1=CC=CC=C1 08461 [0,1,0,0,0,0|3,0,0]=4 30 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 03113 [0,1,0,0,0,0|3,0,0]=4 31 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 06180 [0,1,0,0,0,0|3,0,0]=4 32 B12R1.43 NC(=O)[C@H](N)CC1=CC=CC=C1 03114 [0,1,0,0,0,0|3,0,0]=4 33 B12R1.43 NC(=O)[C@H](N)CC1=CC=CC=C1 05994 [0,1,0,0,0,0|3,0,0]=4 34 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O 00710 [0,1,0,0,0,0|3,0,0]=4 35 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O 00243 [0,1,0,0,0,0|3,0,0]=4 36 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O 00244 [0,1,0,0,0,0|3,0,0]=4 37 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 08027 [0,1,0,0,0,0|3,0,0]=4 38 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 09427 [0,1,0,0,0,0|3,0,0]=4 39 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 08031 [0,1,0,0,0,0|3,0,0]=4 40 B12R1.49 CC(CN)OC1=CC=C(F)C=C1 23526 [0,1,0,0,0,0|3,0,0]=4 41 B12R1.49 CC1=CC=C(OC(C)CN)C=C1 23693 [0,1,0,0,0,0|3,0,0]=4 42 B12R1.49 N[C@@H](CO)CC1=CC=C(O)C=C1 16170 [0,1,0,0,0,0|3,0,0]=4 43 B12R1.49 N[C@@H](CO)CC1=CC=C(O)C=C1 16629 [0,1,0,0,0,0|3,0,0]=4 44 B12R1.49 N[C@H](CO)CC1=CC=C(O)C=C1 16227 [0,1,0,0,0,0|3,0,0]=4 45 B12R1.371 CC(CN)OC1=C(Cl)C=CC=C1 23694 [0,1,0,0,0,0|3,0,0]=4 46 B12R2.18 CC1=C(C)C2=C(C=CC=C2)N1 22059 [0,0,0,1,0,0|2,0,1]=4 47 B12R2.18 CC1=CC2=C(C=CC=C2)N1C 21185 [0,0,0,1,0,0|0,0,2]=3 48 B12R2.24 NC1CCC2=C(C=CC=C2)C1 18439 [0,0,0,1,0,0|2,0,0]=3 49 B12R2.24 NC1COC2=C(C=CC=C2)C1 20658 [0,0,0,1,0,0|3,0,0]=4 50 B12R2.24 O=C1CC2=C(C=CC=C2)CN1 18446 [0,0,0,1,0,0|1,0,1]=3 51 B12R2.24 O=C1CCC2=C(C=CC=C2)C1 14365 [0,0,0,1,0,0|2,0,1]=4 52 B12R2.32 OC[C@@H]1CC2=C(C=CC=C2)N1 16551 [0,0,0,1,0,0|3,0,0]=4 53 B10R1.15 BrCC(Br)C1=CC=CC=C1 26738 [0,0,0,0,1,0|3,0,0]=4 54 B10R1.15 CCC(=O)C1=CC=CC=C1 27218 [0,0,0,0,1,0|2,0,1]=4 55 B10R1.15 CNC(C)C1=CC=CC=C1 28338 [0,0,0,0,1,0|0,0,0]=1 56 B10R1.15 COC(=O)C1=CC=CC=C1 27174 [0,0,0,0,1,0|2,0,1]=4 57 B10R1.15 NCC(O)C1=CC=CC=C1 22012 [0,0,0,0,1,0|3,0,0]=4 58 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 05373 [0,0,0,0,1,0|3,0,0]=4 59 B10R1.15 N[C@H](CO)C1=CC=CC=C1 05372 [0,0,0,0,1,0|3,0,0]=4 60 B10R1.15 OC[C@H](O)C1=CC=CC=C1 24591 [0,0,0,0,1,0|3,0,0]=4 61 B12R1.27 NNC(=O)OCC1=CC=CC=C1 05288 [0,0,0,0,0,1|2,0,1]=4 62 B12R1.27 O=C(NO)OCC1=CC=CC=C1 31324 [0,0,0,0,0,1|2,0,1]=4 63 B9R1.8 CCCC1=CC=CC=C1 27219 [2,0,0,0,0,0|0,0,0]=2 64 B9R1.8 CCCC1=CC=CC=C1 29530 [2,0,0,0,0,0|0,0,0]=2 65 B9R1.8 CCOC1=CC=CC=C1 30856 [2,0,0,0,0,0|1,0,0]=3 66 B9R1.8 CCOC1=NC=CC=C1 27481 [2,0,0,0,0,0|2,0,0]=4 67 B9R1.8 CNCC1=CC=CC=C1 23236 [2,0,0,0,0,0|0,0,0]=2 68 B9R1.8 CNCC1=CC=CN=C1 23300 [2,0,0,0,0,0|1,0,0]=3 69 B9R1.8 CNCC1=CC=NC=C1 23632 [2,0,0,0,0,0|1,0,0]=3 70 B9R1.8 CNCC1=NC=CC=C1 23554 [2,0,0,0,0,0|1,0,0]=3 71 B9R1.8 CNCC1=NC=CN=C1 17803 [2,0,0,0,0,0|2,0,0]=4 72 B9R1.8 COCC1=CC=CN=C1 29457 [2,0,0,0,0,0|2,0,0]=4 73 B9R1.8 COCC1=CC=NC=C1 29392 [2,0,0,0,0,0|2,0,0]=4 74 B9R1.8 COCC1=NC=CC=C1 27516 [2,0,0,0,0,0|2,0,0]=4 75 B9R1.8 NCCC1=CC=CC=C1 21747 [2,0,0,0,0,0|0,0,0]=2 76 B9R1.8 NCCC1=NC=CN=C1 17453 [2,0,0,0,0,0|2,0,0]=4 77 B9R1.8 NCCC1=NC=CN=C1 23818 [2,0,0,0,0,0|2,0,0]=4 78 B9R1.8 NOCC1=CC=CC=C1 02279 [2,0,0,0,0,0|1,0,0]=3 79 B9R1.8 OCCC1=CC=CC=C1 01623 [2,0,0,0,0,0|1,0,0]=3 80 B9R1.8 ONCC1=CC=CC=C1 31261 [2,0,0,0,0,0|1,0,0]=3 81 B11R1.1 CCCCC1=CN=C(C)C=C1 21390 [1,1,0,0,0,0|2,0,0]=4 82 B11R1.1 CCCC[N+]1=CC=C(C)C=C1 31416 [1,1,0,0,0,0|2,0,0]=4 83 B11R1.1 CCCC[N+]1=CC=C(C)C=C1 31418 [1,1,0,0,0,0|2,0,0]=4 84 B11R1.1 CNCCC1=CC=C(Cl)C=C1 18383 [1,1,0,0,0,0|0,0,0]=2 85 B11R1.1 CNCCC1=CC=C(O)C=C1 21452 [1,1,0,0,0,0|0,0,0]=2 86 B11R1.16 COC[C@@H](N)C1=CC=CC=C1 16597 [1,1,0,0,0,0|1,0,0]=3 87 B11R1.16 COC[C@H](N)C1=CC=CC=C1 16561 [1,1,0,0,0,0|1,0,0]=3 88 B11R1.16 N#CCC(O)C1=CC=CC=C1 18031 [1,1,0,0,0,0|2,0,0]=4 89 B11R1.16 NCCC(O)C1=CC=CC=C1 18858 [1,1,0,0,0,0|2,0,0]=4 90 B11R1.24 CCCCC1=NC(N)=CC=C1 24057 [1,1,0,0,0,0|2,0,0]=4 91 B11R1.24 CNCCC1=CC(C)=CC=C1 19438 [1,1,0,0,0,0|0,0,0]=2 92 B11R1.28 BrCCOCC1=CC=CC=C1 14427 [1,1,0,0,0,0|2,0,0]=4 93 B11R1.28 CNCCCC1=CC=CC=C1 23460 [1,1,0,0,0,0|0,0,0]=2 94 B11R1.28 OCCOCC1=CC=CC=C1 21183 [1,1,0,0,0,0|2,0,0]=4 95 B11R1.91 CC(=O)NCC1=CC=CC=C1 24146 [1,1,0,0,0,0|2,0,0]=4 96 B11R1.91 CC(=O)OCC1=CC=CC=C1 27188 [1,1,0,0,0,0|2,0,0]=4 97 B11R1.91 O=C(O)CCC1=CC=CC=C1 25774 [1,1,0,0,0,0|2,0,0]=4 98 B11R1.20 CC(=O)CC1=CC=C(O)C=C1 30440 [1,1,0,0,0,0|1,0,1]=4 99 B11R1.20 CN(C)CC1=CC=C(N)C=C1 18995 [1,1,0,0,0,0|1,0,0]=3 100 B11R1.36 CC(=O)C(Br)C1=CC=CC=C1 17905 [1,1,0,0,0,0|1,0,1]=4 101 B11R1.36 CN(C)C(=O)C1=CC=CC=C1 32066 [1,1,0,0,0,0|1,0,1]=4 102 B11R1.36 NC(=O)[C@@H](N)C1=CC=CC=C1 11689 [1,1,0,0,0,0|1,0,1]=4 103 B11R1.36 NC(=O)[C@@H](N)C1=CC=CC=C1 16622 [1,1,0,0,0,0|1,0,1]=4 104 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 11670 [1,1,0,0,0,0|1,0,1]=4 105 B11R1.86 CN(C)CC1=C(N)C=CC=C1 20019 [1,1,0,0,0,0|1,0,0]=3 106 B11R1.86 CN(C)CC1=NC=CC=C1O 27041 [1,1,0,0,0,0|2,0,0]=4 107 B11R1.157 CC(C)NC1=CC(F)=CC=C1 17554 [1,1,0,0,0,0|1,0,0]=3 108 B11R1.157 CN(C)CC1=CC(N)=CC=C1 20128 [1,1,0,0,0,0|1,0,0]=3 109 B11R1.157 NC(=O)CC1=CC(O)=CC=C1 28948 [1,1,0,0,0,0|1,0,1]=4 110 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 16519 [1,1,0,0,0,0|1,0,0]=3 111 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 30365 [1,1,0,0,0,0|1,0,0]=3 112 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 30411 [1,1,0,0,0,0|1,0,0]=3 113 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 30415 [1,1,0,0,0,0|1,0,0]=3 114 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 30417 [1,1,0,0,0,0|1,0,0]=3 115 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 31554 [1,1,0,0,0,0|1,0,0]=3 116 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 31555 [1,1,0,0,0,0|1,0,0]=3 117 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 31917 [1,1,0,0,0,0|1,0,0]=3 118 B11R1.7 CC(O)(CN)C1=CC=CC=C1 19753 [0,1,0,0,1,0|2,0,0]=4 119 B11R1.12 COC(OC)C1=CC=CC=C1 27180 [0,1,0,0,1,0|1,0,0]=3 120 B13R1.14 CC[C@H](C)COC1=CC=C(N)C=C1 19656 [0,1,0,0,0,1|1,0,0]=3 121 B13R1.42 CNCC(=O)OCC1=CC=CC=C1 06368 [0,1,0,0,0,1|1,0,1]=4 122 B13R1.417 NC[C@@H](CO)NCC1=CC=CC=C1 18848 [0,1,0,0,0,1|2,0,0]=4 123 B13R1.133 CC(CC1=CC=C(Br)C=C1)C(=O)O 26396 [0,2,0,0,0,0|2,0,0]=4 124 B13R1.418 CN[C@@H](CC1=CC=CC=C1)C(=O)O 02666 [0,2,0,0,0,0|0,0,1]=3 125 B13R1.418 CN[C@H](CC1=CC=CC=C1)C(=O)O 06341 [0,2,0,0,0,0|0,0,1]=3 126 B13R1.1073 CC(N)(CC1=CC=CC=C1)C(=O)O 05775 [0,2,0,0,0,0|2,0,0]=4 127 B13R1.1073 C[C@@](N)(CC1=CC=CC=C1)C(=O)O 05772 [0,2,0,0,0,0|2,0,0]=4 128 B13R1.1073 C[C@](N)(CC1=CC=CC=C1)C(=O)O 05780 [0,2,0,0,0,0|2,0,0]=4 129 B13R1.81 CCC(C)OC1=CC(C=O)=CC=C1 26597 [0,2,0,0,0,0|2,0,0]=4 130 B13R1.91 CCC(C)OC1=CC=CC=C1C=O 26588 [0,2,0,0,0,0|2,0,0]=4 131 B11R2.1 CN1C=CC2=C1C=CC=C2 22008 [1,0,0,1,0,0|0,0,2]=4 132 B11R2.1 O=C1CCC2=C1C=CC=C2 21893 [1,0,0,1,0,0|2,0,0]=4 133 B11R2.4 NC1CC1C2=CC=CC=C2 20042 [1,0,0,1,0,0|2,0,0]=4 134 B11R2.10 CC1=CC2=C(C=CC=C2)N1 12992 [1,0,0,1,0,0|0,0,2]=4 135 B11R2.10 NC1CC2=C(C=CC=C2)C1 17047 [1,0,0,1,0,0|0,0,0]=2 136 B11R2.10 NC1CC2=C(C=CC=C2)C1 29942 [1,0,0,1,0,0|0,0,0]=2 137 B11R2.10 O=C1CC2=C(C=CC=C2)C1 14364 [1,0,0,1,0,0|1,0,1]=4 138 B11R2.10 O=C1CC2=C(C=CC=C2)N1 32065 [1,0,0,1,0,0|1,0,1]=4 139 B11R2.10 OC1CC2=C(C=CC=C2)C1 07203 [1,0,0,1,0,0|1,0,0]=3 140 B11R2.40 NC1(C2=CC=CC=C2)CC1 17927 [0,0,0,1,1,0|2,0,0]=4 141 B13R2.32 CN1C(=O)COC2=C1C=CC=C2 28361 [0,0,0,1,0,1|1,0,1]=4 142 B13R2.57 NCC1CCC2=CC=CC=C2C1 19302 [0,0,0,1,0,1|2,0,0]=4 143 B13R2.57 NCC1COC2=C(C=CC=C2)C1 20659 [0,0,0,1,0,1|2,0,0]=4 144 B13R2.64 C1=CC(CC2CCNC2)=CN=C1 23768 [0,1,0,1,0,0|1,0,0]=3 145 B13R2.64 C1=CC=C(CC2CCCN2)C=C1 23328 [0,1,0,1,0,0|0,0,0]=2 146 B13R2.64 C1=CC=C(CC2CCNC2)C=C1 23442 [0,1,0,1,0,0|0,0,0]=2 147 B13R2.64 C1=CN=CC(CC2CCCN2)=C1 23558 [0,1,0,1,0,0|1,0,0]=3 148 B13R2.45 CN1C(CN)=NC2=C1C=CC=C2 17069 [0,1,0,1,0,0|1,0,1]=4 149 B13R2.3028 CC1CC2=C(C=C(F)C=C2)C1=O 21038 [0,1,0,1,0,0|2,0,0]=4 150 B13R2.3683 NC1CCC2=CC(Br)=CC=C2C1 19174 [0,1,0,1,0,0|2,0,0]=4 151 B13R2.3683 NC1CCC2=CC(F)=CC=C2C1 20525 [0,1,0,1,0,0|2,0,0]=4 152 B13R2.155 NC1CCC2=CC=C(Cl)C=C2C1 19250 [0,1,0,1,0,0|2,0,0]=4 153 B9R1.12 CNCCC1=CC=CS1 20794 [1,0,0,0,1,0|1,0,0]=3 154 B9R1.6 CC(=O)C1=CC=CC=C1 27189 [1,0,0,0,1,0|1,0,1]=4 155 B9R1.6 CC(=O)C1=CC=CC=C1 29528 [1,0,0,0,1,0|1,0,1]=4 156 B9R1.6 CC(N)C1=CC=NC=C1 17007 [1,0,0,0,1,0|1,0,0]=3 157 B9R1.6 CC(N)C1=CN=CC=C1 17106 [1,0,0,0,1,0|1,0,0]=3 158 B9R1.6 CC(N)C1=NC=CC=C1 17105 [1,0,0,0,1,0|1,0,0]=3 159 B9R1.6 CN(C)C1=CC=NC=C1 00120 [1,0,0,0,1,0|2,0,0]=4 160 B9R1.6 CN(C)C1=CC=NC=C1 30845 [1,0,0,0,1,0|2,0,0]=4 161 B9R1.6 CN(C)C1=CC=NC=C1 30846 [1,0,0,0,1,0|2,0,0]=4 162 B9R1.6 C[C@@H](N)C1=CC=CC=C1 24594 [1,0,0,0,1,0|0,0,0]=2 163 B9R1.6 C[C@H](N)C1=CC=CC=C1 24595 [1,0,0,0,1,0|0,0,0]=2 164 B9R1.6 N=C(N)C1=CC=CC=C1 00376 [1,0,0,0,1,0|1,0,1]=4 165 B9R1.6 N=C(N)C1=CC=CC=C1 02005 [1,0,0,0,1,0|1,0,1]=4 166 B9R1.13 CC(N)CN1C=CN=C1 23766 [1,0,0,0,1,0|2,0,0]=4