0 B12R1.34 CNC(=O)C(N)C1=CC=CC=C1 O30231 [0,0,0,0,0,0|2,0,1]=3 1 B12R1.34 COC(=O)[C@@H](N)C1=CC=CC=C1 P38441 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.16 C=CCC(O)C1=NC=CC=C1 L20408 [1,0,0,0,0,0|2,0,1]=4 3 B11R1.16 CC(CCN)C1=CC=CC=C1 P38414 [1,0,0,0,0,0|3,0,0]=4 4 B11R1.16 CCCC(N)C1=CC=CC=C1 P39016 [1,0,0,0,0,0|2,0,0]=3 5 B11R1.16 CNCC(C)C1=CC=CC=C1 P37180 [1,0,0,0,0,0|1,0,0]=2 6 B11R1.16 CNCC(O)C1=CC=CN=C1 Q58187 [1,0,0,0,0,0|1,0,0]=2 7 B11R1.16 CNCC(O)C1=NC=CC=C1 L20626 [1,0,0,0,0,0|1,0,0]=2 8 B11R1.16 COCC(N)C1=CC=CC=C1 P40515 [1,0,0,0,0,0|2,0,0]=3 9 B11R1.16 COC[C@@H](N)C1=CC=CC=C1 P35167 [1,0,0,0,0,0|2,0,0]=3 10 B11R1.16 COC[C@@H](N)C1=CC=CN=C1 P43472 [1,0,0,0,0,0|3,0,0]=4 11 B11R1.16 COC[C@H](N)C1=CC=CC=C1 P36845 [1,0,0,0,0,0|2,0,0]=3 12 B11R1.16 COC[C@H](N)C1=CC=CN=C1 P43473 [1,0,0,0,0,0|3,0,0]=4 13 B11R1.16 NCCC(O)C1=CC=CC=C1 P37784 [1,0,0,0,0,0|2,0,0]=3 14 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 P35908 [1,0,0,0,0,0|3,0,0]=4 15 B11R1.16 N[C@H](CCO)C1=CC=CC=C1 P40616 [1,0,0,0,0,0|3,0,0]=4 16 B11R1.16 OCC[C@H](O)C1=CC=NC=C1 Q62763 [1,0,0,0,0,0|3,0,0]=4 17 B11R1.36 CC(C)C(=O)C1=CC=NC=C1 L20820 [1,0,0,0,0,0|1,0,2]=4 18 B11R1.36 CC(C)C(C)C1=CC=CC=C1 P43269 [1,0,0,0,0,0|1,0,0]=2 19 B11R1.36 CC(C)C(N)C1=CC=CC=C1 P36744 [1,0,0,0,0,0|1,0,0]=2 20 B11R1.36 CC(C)C(O)C1=CC=NC=C1 L20534 [1,0,0,0,0,0|1,0,0]=2 21 B11R1.36 NC(=O)C(N)C1=CC=CC=C1 P37697 [1,0,0,0,0,0|2,0,1]=4 22 B11R1.40 C=C[C@@H](N)CC1=CC=CC=C1 P51547 [1,0,0,0,0,0|2,0,1]=4 23 B11R1.40 CC(C#N)NC1=CC=CC=C1 M15456 [1,0,0,0,0,0|3,0,0]=4 24 B11R1.40 CC(CN)OC1=CC=CC=C1 P36860 [1,0,0,0,0,0|3,0,0]=4 25 B11R1.40 CCC(Br)CC1=CC=NC=C1 Q58440 [1,0,0,0,0,0|3,0,0]=4 26 B11R1.40 CCC(N)CC1=CC=CC=C1 P38928 [1,0,0,0,0,0|2,0,0]=3 27 B11R1.40 CCC(O)CC1=CC=NC=C1 Q58397 [1,0,0,0,0,0|3,0,0]=4 28 B11R1.40 NC(CO)CC1=CC=CC=C1 P36941 [1,0,0,0,0,0|3,0,0]=4 29 B11R1.40 O=C(CC1=CC=CC=C1)NO P37592 [1,0,0,0,0,0|2,0,1]=4 30 B13R1.152 CN(C)C(=O)C(N)C1=CC=CC=C1 O30261 [0,1,0,0,0,0|2,0,1]=4 31 B13R2.15 N[C@@H]1CCC[C@H]1C2=CC=CC=C2 L19894 [0,0,0,1,0,0|3,0,0]=4 32 B13R2.15 OC1CCCC1C2=CC=CC=C2 P43293 [0,0,0,1,0,0|3,0,0]=4 33 B13R2.8137 NC(C1=CC=CC=C1)C2CCC2 O34324 [0,0,0,1,0,0|2,0,0]=3 34 B13R2.8137 N[C@@H](C1=CC=CC=C1)C2CCC2 P51530 [0,0,0,1,0,0|2,0,0]=3 35 B13R1.135 CNC(=O)[C@@H](N)CC1=CC=CC=C1 P40579 [0,0,0,0,0,1|2,0,1]=4 36 B13R1.135 CNC(=O)[C@H](N)CC1=CC=CC=C1 P42628 [0,0,0,0,0,1|2,0,1]=4 37 B10R1.15 CCC(N)C1=CC=CC=C1 P39015 [2,0,0,0,0,0|1,0,0]=3 38 B10R1.15 CC[C@@H](O)C1=CC=CC=C1 P40939 [2,0,0,0,0,0|0,0,0]=2 39 B10R1.15 CN[C@@H](C)C1=CC=CC=C1 P40176 [2,0,0,0,0,0|1,0,0]=3 40 B10R1.15 CN[C@H](C)C1=CC=CC=C1 P37197 [2,0,0,0,0,0|1,0,0]=3 41 B10R1.15 NCC(N)C1=CC=CC=C1 P40726 [2,0,0,0,0,0|1,0,0]=3 42 B10R1.15 NCC(O)C1=CC=CN=C1 O32747 [2,0,0,0,0,0|1,0,0]=3 43 B10R1.15 NCC(O)C1=CC=CN=C1 P43089 [2,0,0,0,0,0|1,0,0]=3 44 B10R1.15 NCC(O)C1=CC=NC=C1 P35258 [2,0,0,0,0,0|1,0,0]=3 45 B10R1.15 NCC(O)C1=NC=CC=C1 P35259 [2,0,0,0,0,0|1,0,0]=3 46 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 P43243 [2,0,0,0,0,0|0,0,0]=2 47 B10R1.15 NC[C@H](O)C1=CC=CC=C1 P43317 [2,0,0,0,0,0|0,0,0]=2 48 B10R1.15 OC(CCl)C1=CC=CN=C1 O32660 [2,0,0,0,0,0|2,0,0]=4 49 B10R1.17 CCCCC1=CC=NC=C1 O30545 [2,0,0,0,0,0|2,0,0]=4 50 B10R1.17 CNCCC1=CC=CC=C1 P37213 [2,0,0,0,0,0|0,0,0]=2 51 B10R1.17 CNCCC1=CC=NC=C1 P37446 [2,0,0,0,0,0|1,0,0]=3 52 B10R1.17 CNCCC1=NC=CC=C1 P40087 [2,0,0,0,0,0|1,0,0]=3 53 B10R1.17 ICCCC1=CC=CC=C1 P38180 [2,0,0,0,0,0|2,0,0]=4 54 B10R1.17 NNCCC1=CC=NC=C1 Q58254 [2,0,0,0,0,0|2,0,0]=4 55 B10R1.18 CC(C)OC1=NC=CC=C1 N24110 [2,0,0,0,0,0|2,0,0]=4 56 B12R1.16 OCCC(O)C1=CC=C(Br)C=C1 P39649 [1,1,0,0,0,0|2,0,0]=4 57 B12R1.17 OCC[C@H](O)C1=CC=CC(Cl)=C1 Q69139 [1,1,0,0,0,0|2,0,0]=4 58 B12R1.30 COCCC(N)C1=CC=CC=C1 P38104 [1,1,0,0,0,0|2,0,0]=4 59 B12R1.30 NC(CCCO)C1=CC=CC=C1 Q65498 [1,1,0,0,0,0|2,0,0]=4 60 B12R1.107 CN(C)CC(N)C1=CC=CC=C1 P38865 [1,1,0,0,0,0|1,0,0]=3 61 B12R1.107 CN(C)CC(O)C1=CC=CC=C1 P36593 [1,1,0,0,0,0|0,0,0]=2 62 B12R1.107 CN(C)C[C@@H](N)C1=CC=CC=C1 P36537 [1,1,0,0,0,0|1,0,0]=3 63 B12R1.107 CN(C)C[C@H](N)C1=CC=CC=C1 P40514 [1,1,0,0,0,0|1,0,0]=3 64 B12R1.20 CC(C)C(N)C1=CC=C(Cl)C=C1 P36067 [1,1,0,0,0,0|1,0,0]=3 65 B12R1.20 CC(N)C(O)C1=CC=C(Cl)C=C1 P37279 [1,1,0,0,0,0|0,0,0]=2 66 B12R1.20 CC(N)C(O)C1=CC=C(Cl)C=C1 P39460 [1,1,0,0,0,0|0,0,0]=2 67 B12R1.20 CC1=CC=C(C(N)C(C)C)C=C1 P35720 [1,1,0,0,0,0|1,0,0]=3 68 B12R1.225 CC(C)C(=O)C1=CC=CC(Br)=C1 P39436 [1,1,0,0,0,0|0,0,2]=4 69 B12R1.225 CC(N)C(O)C1=CC(O)=CC=C1 L20369 [1,1,0,0,0,0|0,0,0]=2 70 B12R1.225 CC1=NC(C(N)C(C)C)=CC=C1 Q58462 [1,1,0,0,0,0|2,0,0]=4 71 B12R1.478 CN(C)C(CN)C1=CC=CC=C1 P36921 [1,1,0,0,0,0|2,0,0]=4 72 B12R1.478 NC(=O)C(CO)C1=CC=CC=C1 P51093 [1,1,0,0,0,0|1,0,1]=4 73 B12R1.32 CN(CCN)CC1=CC=CC=C1 P41340 [1,1,0,0,0,0|2,0,0]=4 74 B12R1.32 CONC(C)CC1=CC=CC=C1 O31441 [1,1,0,0,0,0|0,0,0]=2 75 B12R1.194 C#CC(C)(C)CC1=CC=CC=C1 L21351 [1,1,0,0,0,0|1,0,1]=4 76 B12R1.194 C[C@@](N)(CO)CC1=CC=CC=C1 10161 [1,1,0,0,0,0|2,0,0]=4 77 B12R2.2 C1=CC=C(C2CCCN2)C=C1 Q55561 [1,0,0,1,0,0|2,0,0]=4 78 B12R2.2 C1=CC=C(C2CCCO2)C=C1 G-5955 [1,0,0,1,0,0|1,0,0]=3 79 B12R2.2 C1=CC=C(C2CCNC2)C=C1 L13987 [1,0,0,1,0,0|1,0,0]=3 80 B12R2.2 C1=CC=C(C2CCNC2)C=C1 P44791 [1,0,0,1,0,0|1,0,0]=3 81 B12R2.2 C1=CC=C([C@@H]2CCNC2)C=C1 L14895 [1,0,0,1,0,0|1,0,0]=3 82 B12R2.2 C1=CC=C([C@H]2CCCN2)C=C1 10698 [1,0,0,1,0,0|2,0,0]=4 83 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 L22374 [1,0,0,1,0,0|1,0,0]=3 84 B12R2.2 C1=CN=C(C2CCNC2)C=C1 A-560 [1,0,0,1,0,0|2,0,0]=4 85 B12R2.2 C1=CN=C(C2CCNC2)C=C1 A-562 [1,0,0,1,0,0|2,0,0]=4 86 B12R2.116 NC1(C2=CC=CC=C2)CCC1 P40536 [1,0,0,1,0,0|2,0,0]=4 87 B12R2.116 NC1(C2=CC=CC=C2)CCC1 P42329 [1,0,0,1,0,0|2,0,0]=4 88 B12R2.116 NC1(C2=CC=CC=C2)COC1 G-7244 [1,0,0,1,0,0|2,0,0]=4 89 B12R2.116 NC1(C2=CC=CC=C2)COC1 P49351 [1,0,0,1,0,0|2,0,0]=4 90 B12R2.116 OC1(C2=CC=CC=C2)CNC1 G-6286 [1,0,0,1,0,0|0,0,0]=2 91 B12R2.116 OC1(C2=NC=CC=C2)CNC1 Q65571 [1,0,0,1,0,0|1,0,0]=3 92 B12R2.1081 NC1COCC2=C1C=CC=C2 G-7548 [1,0,0,1,0,0|2,0,0]=4 93 B12R2.1081 OC1CCCC2=C1N=CC=C2 P43430 [1,0,0,1,0,0|2,0,0]=4 94 B12R2.2075 NC(C1=CC=CC=C1)C2CC2 P39493 [1,0,0,1,0,0|2,0,0]=4 95 B12R2.2075 N[C@@H](C1=CC=CC=C1)C2CC2 P51521 [1,0,0,1,0,0|2,0,0]=4 96 B12R2.18 N[C@@H]1C2=C(C=CC=C2)C[C@@H]1O I-9168 [1,0,0,1,0,0|2,0,0]=4 97 B12R2.18 N[C@H]1C2=C(C=CC=C2)C[C@H]1O G-6897 [1,0,0,1,0,0|2,0,0]=4 98 B12R2.24 O=C1CC2=C(C=CC=C2)CN1 P39429 [1,0,0,1,0,0|1,0,1]=4 99 B12R2.24 O[C@@H]1CCC2=C(C=CC=C2)C1 Q69508 [1,0,0,1,0,0|2,0,0]=4 100 B12R2.24 O[C@H]1CCC2=C(C=CC=C2)C1 O32386 [1,0,0,1,0,0|2,0,0]=4 101 B12R2.2058 C1=CC=C(CC2CNC2)C=C1 M22647 [1,0,0,1,0,0|2,0,0]=4 102 B12R2.2058 C1=CC=C(CN2CCC2)C=C1 P45197 [1,0,0,1,0,0|2,0,0]=4 103 B14R2.24 OC1CNCCC1C2=CC=CC=C2 H-8918 [0,1,0,1,0,0|2,0,0]=4 104 B14R2.24 O[C@H]1CNCC[C@@H]1C2=CC=CC=C2 H-8919 [0,1,0,1,0,0|2,0,0]=4 105 B14R2.114 CN(C1=CC=CC=C1)C2CCNC2 P39612 [0,1,0,1,0,0|2,0,0]=4 106 B14R2.114 NC(C1=CC=CC=C1)C2CCCC2 P39494 [0,1,0,1,0,0|2,0,0]=4 107 B14R2.114 O=C(C1=CC=CC=C1)C2CCCN2 O28153 [0,1,0,1,0,0|0,0,2]=4 108 B14R2.114 O=C(C1=CC=CC=C1)C2CCNC2 O28127 [0,1,0,1,0,0|0,0,2]=4 109 B12R1.27 CC(CO)NCC1=CC=CC=C1 Q66178 [1,0,0,0,0,1|2,0,0]=4 110 B12R1.27 CC(CO)OCC1=CC=CC=C1 P36528 [1,0,0,0,0,1|2,0,0]=4 111 B12R1.27 C[C@@H](CO)NCC1=CC=CC=C1 O31764 [1,0,0,0,0,1|2,0,0]=4 112 B12R1.27 C[C@H](CO)NCC1=CC=CC=C1 10174 [1,0,0,0,0,1|2,0,0]=4