0 B11R1.222 COC(=O)[C@@H]1CNCCC1=O F11806 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.4 C=CC[C@H]1CCCOC1=O F13527 [1,0,0,0,0,0|1,0,2]=4 2 B10R1.4 NCCN1CCCCC1=O 71801 [1,0,0,0,0,0|2,0,0]=3 3 B10R1.4 O=C1CCCCN1CCO D96983 [1,0,0,0,0,0|2,0,0]=3 4 B10R1.4 O=C1NCCN[C@H]1CCO D86969 [1,0,0,0,0,0|3,0,0]=4 5 B10R1.15 CC[C@@H](C)[C@@H]1COCCN1 77682 [1,0,0,0,0,0|2,0,0]=3 6 B10R1.15 CC[C@@H](C)[C@@H]1COCCN1 77683 [1,0,0,0,0,0|2,0,0]=3 7 B10R1.15 CC[C@H](C)N1CCNCC1 D76625 [1,0,0,0,0,0|2,0,1]=4 8 B10R1.15 CC[C@H](N)C1CCOCC1 53163 [1,0,0,0,0,0|2,0,1]=4 9 B10R1.15 CC[C@H](O)C1CCOCC1 AC9165 [1,0,0,0,0,0|2,0,1]=4 10 B10R1.15 N[C@@H](CO)C1CCCCC1 N11205 [1,0,0,0,0,0|2,0,1]=4 11 B10R1.61 CC(C)N1CCNCC1=O C71601 [1,0,0,0,0,0|2,0,0]=3 12 B10R1.61 CC(C)[C@@H]1CNCCN1C AT24770 [1,0,0,0,0,0|3,0,0]=4 13 B10R1.61 CN(C)C1CCCCC1N W19216 [1,0,0,0,0,0|2,0,1]=4 14 B10R1.61 CN(C)[C@H]1CCCC[C@@H]1O AT22768 [1,0,0,0,0,0|1,0,2]=4 15 B10R1.61 C[C@H](O)C1=C(Br)CCCC1 E70225 [1,0,0,0,0,0|2,0,1]=4 16 B10R1.61 O=C1CCCC[C@H]1C(F)F F53615 [1,0,0,0,0,0|2,0,0]=3 17 B10R0.74 COC(=O)CCCCCC=O A51072 [0,0,1,0,0,0|2,0,1]=4 18 B12R1.371 COC(=O)C[C@H]1CCCCC1=O AT25972 [0,0,0,0,0,1|2,0,1]=4 19 B12R1.1657 COC(=O)[C@H]1CCCCC(=O)C1 C93224 [0,0,0,0,0,1|2,0,1]=4 20 B9R0.4 CCOCC(=O)OC(C)C 94622 [1,0,1,0,0,0|2,0,0]=4 21 B9R0.18 CCCCC(C)CCCC T71863 [1,0,1,0,0,0|1,0,1]=4 22 B9R0.34 CCCC(C)CC(C)CC T70352 [1,0,1,0,0,0|1,0,1]=4 23 B9R0.46 CCCCCC[C@@H](C)CC T72672 [1,0,1,0,0,0|0,0,1]=3 24 B9R0.46 CC[C@H](C)CCCCCO T71591 [1,0,1,0,0,0|0,0,1]=3 25 B9R0.15 CCC[C@H](OCC)C(=O)O AC7206 [1,0,1,0,0,0|2,0,0]=4 26 B9R0.33 CCC[C@H](C(=O)O)C(C)C F19287 [1,0,1,0,0,0|1,0,0]=3 27 B9R0.33 CCO[C@H](C(=O)O)C(C)C AC6941 [1,0,1,0,0,0|2,0,0]=4 28 B9R0.2 CC(C)CCCCCCO D98911 [1,0,1,0,0,0|0,0,2]=4 29 B9R0.45 C=CCCCCCCCC T73018 [1,0,1,0,0,0|1,0,0]=3 30 B9R0.45 C\C=C/CCCCCCC T70533 [1,0,1,0,0,0|1,0,1]=4 31 B9R1.8 CCCC1CCNCC1 C75224 [2,0,0,0,0,0|1,0,1]=4 32 B9R1.8 CCC[C@H]1CCCCN1 F16887 [2,0,0,0,0,0|1,0,0]=3 33 B9R1.8 CNCC1CCCCC1 P19116 [2,0,0,0,0,0|1,0,1]=4 34 B9R1.8 CNC[C@H]1CCCCO1 F16332 [2,0,0,0,0,0|2,0,0]=4 35 B9R1.8 COC[C@H]1CCCCN1 31181 [2,0,0,0,0,0|2,0,0]=4 36 B9R1.8 COC[C@H]1CCCCN1 Y11003 [2,0,0,0,0,0|2,0,0]=4 37 B9R1.8 NCC[C@H]1CCCCN1 D76613 [2,0,0,0,0,0|2,0,0]=4 38 B9R1.8 NCC[C@H]1CCCCO1 SC1551 [2,0,0,0,0,0|2,0,0]=4 39 B9R1.15 CCC1CCCCC1C T72380 [2,0,0,0,0,0|1,0,1]=4 40 B9R1.15 CCC1CCCCC1O D90497 [2,0,0,0,0,0|0,0,2]=4 41 B9R1.15 CCN1CCCNC1=O AT26678 [2,0,0,0,0,0|2,0,0]=4 42 B9R1.15 CC[C@H]1CNCCC1=O O11002 [2,0,0,0,0,0|1,0,0]=3 43 B9R1.15 O=C1CCCC[C@@H]1CO F18113 [2,0,0,0,0,0|1,0,0]=3 44 B9R1.15 O=C[C@@H]1CCCCC1=O AT23975 [2,0,0,0,0,0|1,0,1]=4 45 B9R1.6 CC(C)[C@@H]1CNCCN1 20127 [2,0,0,0,0,0|2,0,0]=4 46 B9R1.6 CC(C)[C@@H]1CNCCN1 20129 [2,0,0,0,0,0|2,0,0]=4 47 B9R1.6 CC(C)[C@@H]1CNCCN1 AT22713 [2,0,0,0,0,0|2,0,0]=4 48 B9R1.6 CC(C)[C@@H]1CNCCN1 W18944 [2,0,0,0,0,0|2,0,0]=4 49 B9R1.6 CC(C)[C@@H]1CNCCO1 D75743 [2,0,0,0,0,0|2,0,0]=4 50 B9R1.6 CC(C)[C@@H]1CNCCO1 D75749 [2,0,0,0,0,0|2,0,0]=4 51 B9R1.6 CC(C)[C@@H]1CNCCS1 AT25277 [2,0,0,0,0,0|2,0,0]=4 52 B9R1.6 CC(C)[C@@H]1COCCN1 A50783 [2,0,0,0,0,0|2,0,0]=4 53 B9R1.6 CC(C)[C@@H]1COCCN1 F13098 [2,0,0,0,0,0|2,0,0]=4 54 B9R1.6 CC(C)[C@@H]1COCCN1 F19078 [2,0,0,0,0,0|2,0,0]=4 55 B9R1.6 CC(C)[C@H]1CCCNC1 F53728 [2,0,0,0,0,0|1,0,1]=4 56 B9R1.6 C[C@H](Br)C1CCCCC1 O10008 [2,0,0,0,0,0|1,0,1]=4 57 B9R1.6 C[C@H](N)C1CCCCC1 79907 [2,0,0,0,0,0|1,0,1]=4 58 B9R1.6 C[C@H](N)C1CCCCC1 79908 [2,0,0,0,0,0|1,0,1]=4 59 B9R1.6 C[C@H](N)C1CCCCO1 79891 [2,0,0,0,0,0|2,0,0]=4 60 B9R1.6 C[C@H](O)C1CCCCC1 D77196 [2,0,0,0,0,0|1,0,1]=4 61 B11R1.86 CN(C)C[C@H]1COCCC1=O F13488 [1,1,0,0,0,0|2,0,0]=4 62 B11R1.16 CN(CCN)C1CCCCC1 73370 [1,1,0,0,0,0|1,0,1]=4 63 B11R1.22 CC[C@H](C)C1CCC(N)CC1 T70675 [1,1,0,0,0,0|0,0,1]=3 64 B11R1.87 O=C1CCCC[C@H]1C(F)(F)F W16622 [1,1,0,0,0,0|2,0,0]=4 65 B11R1.159 CC(C)N1CCC[C@H](N)C1=O 96113 [1,1,0,0,0,0|1,0,0]=3 66 B11R1.159 CC(C)N1CCC[C@H](N)C1=O 96114 [1,1,0,0,0,0|1,0,0]=3 67 B11R1.166 CC(C)[C@H]1CC[C@H](C)C[C@@H]1Cl T71870 [1,1,0,0,0,0|1,0,1]=4 68 B13R1.1462 CCOC(=O)[C@H]1CCCCC(=O)C1 S11631 [0,1,0,0,0,1|1,0,1]=4 69 B13R1.12 CCOC(=O)C1CCCC(Br)C1=O D77362 [0,2,0,0,0,0|1,0,1]=4 70 B13R1.1511 CCOC(=O)C1CC[C@H](C)CC1=O 90780 [0,2,0,0,0,0|1,0,1]=4 71 B13R1.1511 CCOC(=O)C1CC[C@H](C)CC1=O 90785 [0,2,0,0,0,0|1,0,1]=4 72 B13R1.1546 CCOC(=O)[C@]1(C)CCCCC1=O AC9108 [0,2,0,0,0,0|1,0,1]=4 73 B11R1.185 CCCN1C[C@@H](CN)CC1=O AT19152 [0,0,1,1,0,0|2,0,0]=4 74 B11R1.185 CCCN1C[C@@H](CN)CC1=O AT19154 [0,0,1,1,0,0|2,0,0]=4 75 B11R2.48 O=C1N[C@H]2CC[C@@H]1CNC2 AT25021 [1,0,0,1,0,0|2,0,0]=4 76 B11R2.55 O=C1CCCC[C@H]1C2CC2 33404 [1,0,0,1,0,0|0,0,0]=2 77 B11R2.55 O=C1CNCCN1C2CC2 AT12835 [1,0,0,1,0,0|2,0,0]=4 78 B11R2.106 O=C1CCCN2CCC[C@@H]12 C15384 [1,0,0,1,0,0|1,0,0]=3 79 B11R2.106 O=C1CCNC2CCCC12 F14781 [1,0,0,1,0,0|1,0,0]=3 80 B11R2.106 O=C1CCNC2CCCC12 P10663 [1,0,0,1,0,0|1,0,0]=3 81 B11R2.106 O=C1CNC[C@@H]2CCCN12 90666 [1,0,0,1,0,0|2,0,0]=4 82 B11R2.106 O=C1CNC[C@@H]2CCCN12 F53864 [1,0,0,1,0,0|2,0,0]=4 83 B11R2.106 O=C1CNC[C@@H]2CCCN12 N13360 [1,0,0,1,0,0|2,0,0]=4 84 B11R2.106 O=C1OCCC2CCNC12 33376 [1,0,0,1,0,0|2,0,0]=4 85 B11R2.357 O=C1CCN2CCCC1C2 AT13094 [1,0,0,1,0,0|1,0,0]=3 86 B11R2.565 CN1C2CCCC1CCC2 F13972 [1,0,0,1,0,0|2,0,0]=4 87 B11R2.565 O=C1C2CCCC1CNC2 F13537 [1,0,0,1,0,0|1,0,0]=3 88 B11R2.40 NC1(C2CCCCC2)CC1 94852 [1,0,0,1,0,0|1,0,1]=4 89 B11R2.239 C1CC([C@@H]2CNCCO2)C1 F53791 [1,0,0,1,0,0|2,0,0]=4 90 B9R1.33 COC[C@H]1CCNC1=O AT19084 [1,0,0,0,1,0|2,0,0]=4 91 B9R1.33 O=C1NCC[C@@H]1CCO AT19068 [1,0,0,0,1,0|2,0,0]=4 92 B9R1.11 CCC(=O)C1CCCC1 F53464 [1,0,0,0,1,0|1,0,1]=4 93 B9R1.11 CCC(C)C1CCNC1 D72006 [1,0,0,0,1,0|1,0,0]=3 94 B9R1.11 CCC(O)C1CCNC1 F30893 [1,0,0,0,1,0|2,0,0]=4 95 B9R1.11 CC[C@H](N)C1CCCC1 N12792 [1,0,0,0,1,0|1,0,0]=3 96 B9R1.11 CC[C@H](N)C1CCCC1 N14676 [1,0,0,0,1,0|1,0,0]=3 97 B9R1.11 CC[C@H](N)C1CCCC1 N14677 [1,0,0,0,1,0|1,0,0]=3 98 B9R1.11 NC[C@H](O)C1CCCC1 W15961 [1,0,0,0,1,0|2,0,0]=4 99 B9R1.11 N[C@@H](CO)C1CCCC1 N11290 [1,0,0,0,1,0|2,0,0]=4 100 B9R1.11 N[C@@H](CO)C1CCCC1 N11334 [1,0,0,0,1,0|2,0,0]=4 101 B9R1.41 CC(=O)[C@@H]1CCCC1=O F17111 [1,0,0,0,1,0|1,0,1]=4 102 B9R1.41 CC(C)[C@@H]1CCNC1=O D72753 [1,0,0,0,1,0|1,0,0]=3 103 B9R1.41 CN(C)[C@H]1CCNC1=O AT19092 [1,0,0,0,1,0|2,0,0]=4