0 B11R1.40 COC(=O)CC1CCCCC1 F14170 [0,0,0,0,0,0|2,0,1]=3 1 B11R1.40 COC(=O)CC1CCNCC1 69553 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.40 COC(=O)CC1CCNCC1 69554 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.40 COC(=O)CC1CCOCC1 20899 [0,0,0,0,0,0|3,0,1]=4 4 B11R1.40 COC(=O)C[C@H]1CCCNC1 22934 [0,0,0,0,0,0|3,0,1]=4 5 B11R1.40 NNC(=S)NC1CCCCC1 CS1020 [0,0,0,0,0,0|3,0,1]=4 6 B10R1.17 BrCCCN1CCCCC1 A10088 [1,0,0,0,0,0|3,0,0]=4 7 B10R1.17 C#CCCC1CCCCC1 59502 [1,0,0,0,0,0|1,0,1]=3 8 B10R1.17 CCCCN1CCOCC1 23766 [1,0,0,0,0,0|3,0,0]=4 9 B10R1.17 CCCNC1CCOCC1 AB1576 [1,0,0,0,0,0|3,0,0]=4 10 B10R1.17 CCCOC1CCNCC1 V10006 [1,0,0,0,0,0|3,0,0]=4 11 B10R1.17 COCCC1CCNCC1 38532 [1,0,0,0,0,0|2,0,0]=3 12 B10R1.17 COCCN1CCNCC1 64306 [1,0,0,0,0,0|3,0,0]=4 13 B10R1.17 COCCN1CCOCC1 D95625 [1,0,0,0,0,0|3,0,0]=4 14 B10R1.17 ClCCCN1CCCCC1 D70144 [1,0,0,0,0,0|3,0,0]=4 15 B10R1.17 N#CCC[NH+]1CCCCC1 D89389 [1,0,0,0,0,0|3,0,0]=4 16 B10R1.17 NCCCC1CCCCC1 N10393 [1,0,0,0,0,0|2,0,0]=3 17 B10R1.17 NCCCN1CCCCC1 A10251 [1,0,0,0,0,0|3,0,0]=4 18 B10R1.17 NCCOC1CCCCC1 31463 [1,0,0,0,0,0|3,0,0]=4 19 B10R1.17 OCCCC1CCCCC1 A10410 [1,0,0,0,0,0|2,0,0]=3 20 B10R1.17 OCCCC1CCNCC1 65242 [1,0,0,0,0,0|3,0,0]=4 21 B10R1.17 OCCCN1CCCCC1 A10134 [1,0,0,0,0,0|3,0,0]=4 22 B10R1.17 OCCNC1CCCCC1 D95373 [1,0,0,0,0,0|3,0,0]=4 23 B10R1.17 OCCOC1CCCCC1 AC7544 [1,0,0,0,0,0|3,0,0]=4 24 B10R1.18 CC(C)CN1CCNCC1 28453 [1,0,0,0,0,0|2,0,0]=3 25 B10R1.18 CC(C)NC1CCCCC1 D91133 [1,0,0,0,0,0|1,0,0]=2 26 B10R1.18 CC(C)NC1CCNCC1 20967 [1,0,0,0,0,0|2,0,0]=3 27 B10R1.18 CN(C)CC1CCNCC1 F20038 [1,0,0,0,0,0|2,0,0]=3 28 B10R1.18 CN(C)C[C@H]1CNCCO1 72009 [1,0,0,0,0,0|3,0,0]=4 29 B10R1.18 CN(C)C[C@H]1CNCCO1 AB1402 [1,0,0,0,0,0|3,0,0]=4 30 B10R1.18 C[C@H](Cl)CN1CCCCC1 O10264 [1,0,0,0,0,0|2,0,0]=3 31 B10R1.18 NC(=O)NC1CCCCC1 AC9450 [1,0,0,0,0,0|2,0,1]=4 32 B10R1.18 O=C(O)CC1CCCCC1 F11130 [1,0,0,0,0,0|2,0,1]=4 33 B12R1.34 COC(=O)[C@@H](N)C1CCCCC1 76587 [0,1,0,0,0,0|2,0,1]=4 34 B12R1.34 COC(=O)[C@@H](N)C1CCCCC1 F14486 [0,1,0,0,0,0|2,0,1]=4 35 B12R1.34 CON(C)C(=O)C1CCCCC1 P16278 [0,1,0,0,0,0|2,0,1]=4 36 B12R1.43 N[C@@H](CC1CCCCC1)C(=O)O 59466 [0,1,0,0,0,0|3,0,0]=4 37 B12R1.43 N[C@@H](CC1CCCCC1)C(=O)O 59467 [0,1,0,0,0,0|3,0,0]=4 38 B12R1.43 N[C@@H](CC1CCCCC1)C(=O)O A50362 [0,1,0,0,0,0|3,0,0]=4 39 B12R1.43 N[C@@H](CC1CCCCC1)C(=O)O D75773 [0,1,0,0,0,0|3,0,0]=4 40 B12R1.43 N[C@@H](CC1CCCCC1)C(=O)O F14510 [0,1,0,0,0,0|3,0,0]=4 41 B12R1.50 COC(=O)CC1CCCC(O)C1 32694 [0,1,0,0,0,0|2,0,1]=4 42 B12R1.3524 COC(=O)CC1(N)CCCCC1 63919 [0,1,0,0,0,0|2,0,1]=4 43 B10R0.74 CCCCCCCC(=O)NN 23135 [0,0,1,0,0,0|2,0,1]=4 44 B10R0.74 CCCCCCCC(=O)NO 35665 [0,0,1,0,0,0|2,0,1]=4 45 B10R0.74 CCCCCCCC(=O)NO D89270 [0,0,1,0,0,0|2,0,1]=4 46 B12R2.24 OC1CCC2CCCCC2C1 D89972 [0,0,0,1,0,0|2,0,0]=3 47 B12R2.1772 COC1CC2(CCNCC2)C1 D97095 [0,0,0,1,0,0|2,0,0]=3 48 B12R2.2918 O=C1CC2(CCCCC2)CN1 AC1536 [0,0,0,1,0,0|1,0,1]=3 49 B12R2.2918 O=C1CC2(CCOCC2)CN1 37763 [0,0,0,1,0,0|2,0,1]=4 50 B10R1.15 CC[C@H](O)C1CCNCC1 F52461 [0,0,0,0,1,0|3,0,0]=4 51 B10R1.15 CNC(=O)C1CCNCC1 Y10624 [0,0,0,0,1,0|2,0,1]=4 52 B10R1.15 CNC(=O)C1CCNCC1 Y10987 [0,0,0,0,1,0|2,0,1]=4 53 B10R1.15 COC(=O)C1CCCCC1 D77686 [0,0,0,0,1,0|2,0,1]=4 54 B10R1.15 NNC(=O)C1CCCCC1 D82260 [0,0,0,0,1,0|2,0,1]=4 55 B10R1.15 N[C@@H](CO)C1CCCCC1 F14508 [0,0,0,0,1,0|3,0,0]=4 56 B10R1.15 N[C@@H](CO)C1CCCCC1 F14509 [0,0,0,0,1,0|3,0,0]=4 57 B10R1.27 COC(=O)CC1CCCC1 F11964 [0,0,0,0,1,0|2,0,1]=4 58 B10R1.27 C[C@H](CO)CN1CCCC1 63878 [0,0,0,0,1,0|3,0,0]=4 59 B9R0.18 CCCCC(N)CCCC 81547 [1,0,1,0,0,0|2,0,0]=4 60 B9R0.18 CCCCC(O)CCCC D91684 [1,0,1,0,0,0|2,0,0]=4 61 B9R0.18 CNCCN(C)CCNC A10920 [1,0,1,0,0,0|2,0,0]=4 62 B9R0.2 CC(C)NCCCCCO H11897 [1,0,1,0,0,0|2,0,0]=4 63 B9R0.2 CCCCCCCC(N)=O D91840 [1,0,1,0,0,0|1,0,1]=4 64 B9R0.2 CCCNCCCN(C)C D97633 [1,0,1,0,0,0|2,0,0]=4 65 B9R0.45 C#CCCCCCCCC F11366 [1,0,1,0,0,0|1,0,1]=4 66 B9R0.45 CCCCCCCCC#N D91888 [1,0,1,0,0,0|2,0,0]=4 67 B9R0.45 CCCCCCCCCI D91171 [1,0,1,0,0,0|2,0,0]=4 68 B9R0.45 CCCCCCCCCO D70513 [1,0,1,0,0,0|2,0,0]=4 69 B9R0.45 CCCCCCCCNC O12029 [1,0,1,0,0,0|0,0,0]=2 70 B9R0.45 CCCCCCCNCC D90566 [1,0,1,0,0,0|2,0,0]=4 71 B9R0.45 CNCCCCCCNC F17013 [1,0,1,0,0,0|1,0,0]=3 72 B9R0.45 COCCCCCCOC D90120 [1,0,1,0,0,0|2,0,0]=4 73 B9R1.8 BrCCC1CCCCC1 O10764 [2,0,0,0,0,0|1,0,0]=3 74 B9R1.8 CCCN1CCNCC1 22995 [2,0,0,0,0,0|2,0,0]=4 75 B9R1.8 CCC[C@H]1CCCCN1 Y10685 [2,0,0,0,0,0|1,0,0]=3 76 B9R1.8 CCNC1CCOCC1 20751 [2,0,0,0,0,0|2,0,0]=4 77 B9R1.8 CCOC1CCNCC1 D95786 [2,0,0,0,0,0|2,0,0]=4 78 B9R1.8 CCO[C@H]1CCCNC1 75813 [2,0,0,0,0,0|2,0,0]=4 79 B9R1.8 CNCC1CCOCC1 28114 [2,0,0,0,0,0|1,0,0]=3 80 B9R1.8 COCC1CCNCC1 64129 [2,0,0,0,0,0|2,0,0]=4 81 B9R1.8 COCC1CCNCC1 P10350 [2,0,0,0,0,0|2,0,0]=4 82 B9R1.8 ClCOC1CCCCC1 D89466 [2,0,0,0,0,0|2,0,0]=4 83 B9R1.8 N#CCC1CCCCC1 SC5095 [2,0,0,0,0,0|0,0,2]=4 84 B9R1.8 NCCC1=CCCCC1 D87820 [2,0,0,0,0,0|0,0,2]=4 85 B9R1.8 NCCC1CCOCC1 51287 [2,0,0,0,0,0|1,0,0]=3 86 B9R1.8 NCCN1CCCCC1 65590 [2,0,0,0,0,0|1,0,0]=3 87 B9R1.8 NCCN1CCCCC1 P10019 [2,0,0,0,0,0|1,0,0]=3 88 B9R1.8 NCCN1CCOCC1 F13469 [2,0,0,0,0,0|2,0,0]=4 89 B9R1.8 OCCC1CCCCC1 AC8984 [2,0,0,0,0,0|1,0,0]=3 90 B9R1.8 OCCC1CCNCC1 F11198 [2,0,0,0,0,0|2,0,0]=4 91 B9R1.8 OCCC1CCNCC1 S11476 [2,0,0,0,0,0|2,0,0]=4 92 B9R1.8 OCCN1CCCCC1 D70541 [2,0,0,0,0,0|2,0,0]=4 93 B9R1.8 OCC[C@H]1CCCCN1 36636 [2,0,0,0,0,0|2,0,0]=4 94 B9R1.8 OCC[C@H]1CCCCN1 62346 [2,0,0,0,0,0|2,0,0]=4 95 B9R1.8 OCC[C@H]1CCCCN1 P10605 [2,0,0,0,0,0|2,0,0]=4 96 B9R1.8 OCC[C@H]1CCCCO1 F20608 [2,0,0,0,0,0|2,0,0]=4 97 B9R1.8 OCC[C@H]1CCCNC1 65598 [2,0,0,0,0,0|2,0,0]=4 98 B11R0.40 CCCCCCCC[C@@H](O)CC D92752 [0,1,1,0,0,0|2,0,0]=4 99 B11R0.42 CCCCCCCC(=O)N(C)C S10478 [0,1,1,0,0,0|1,0,1]=4 100 B11R1.1 CCCCC1CCC(O)CC1 D88877 [1,1,0,0,0,0|1,0,0]=3 101 B11R1.1 COCCN1CCC(O)CC1 P11597 [1,1,0,0,0,0|2,0,0]=4 102 B11R1.16 C\C=C/[C@@H](O)C1CCCCC1 D89430 [1,1,0,0,0,0|1,0,1]=4 103 B11R1.28 BrCCCCC1CCCCC1 AB1243 [1,1,0,0,0,0|1,0,0]=3 104 B11R1.28 CCNCCN1CCOCC1 31669 [1,1,0,0,0,0|2,0,0]=4 105 B11R1.28 N#CCCNC1CCCCC1 D86809 [1,1,0,0,0,0|2,0,0]=4 106 B11R1.28 NCCCNC1CCCCC1 D84281 [1,1,0,0,0,0|2,0,0]=4 107 B11R1.28 OCCCCN1CCCCC1 65596 [1,1,0,0,0,0|2,0,0]=4 108 B11R1.91 CN(C)CCN1CCNCC1 A10350 [1,1,0,0,0,0|2,0,0]=4 109 B11R1.91 O=C(O)CCC1CCCCC1 H10698 [1,1,0,0,0,0|2,0,0]=4 110 B11R1.900 CCCC[N+]1(C)CCCCC1 D70798 [1,1,0,0,0,0|2,0,0]=4 111 B11R1.20 CC(C)CN1CCC(=O)CC1 28491 [1,1,0,0,0,0|1,0,1]=4 112 B11R1.20 CC(C)NC1CCN(C)CC1 V10034 [1,1,0,0,0,0|2,0,0]=4 113 B11R1.86 CN(C)C[C@H]1CCCCC1=O 77320 [1,1,0,0,0,0|1,0,1]=4 114 B11R1.509 CC(C)(C)NC1CCCCC1 74126 [1,1,0,0,0,0|1,0,0]=3 115 B11R1.509 CC(C)(N)CN1CCOCC1 25450 [1,1,0,0,0,0|2,0,0]=4 116 B11R1.12 CCN(CC)C1CCCCC1 D82000 [0,1,0,0,1,0|2,0,0]=4 117 B13R1.135 CON(C)C(=O)CC1CCCCC1 D84476 [0,1,0,0,0,1|2,0,0]=4 118 B11R2.20 C1CCC2NCCCC2C1 A10774 [1,0,0,1,0,0|2,0,0]=4 119 B11R2.20 C1CCN2CCNC[C@@H]2C1 24788 [1,0,0,1,0,0|1,0,0]=3 120 B11R2.238 C1CCC(NC2CC2)CC1 D85656 [1,0,0,1,0,0|2,0,0]=4 121 B11R2.239 C1CCN(C2CNC2)CC1 A50745 [1,0,0,1,0,0|1,0,0]=3 122 B11R2.1261 C1CC2(CCN1)CCOC2 36330 [1,0,0,1,0,0|2,0,0]=4 123 B11R2.1261 C1CC2(CCN1)CCOC2 84051 [1,0,0,1,0,0|2,0,0]=4 124 B11R2.1261 C1CC2(CCN1)CCOC2 P14012 [1,0,0,1,0,0|2,0,0]=4 125 B11R2.1261 C1CC2(CCOCC2)CN1 37538 [1,0,0,1,0,0|1,0,0]=3 126 B11R2.1261 C1CC2(CCOCC2)CN1 37539 [1,0,0,1,0,0|1,0,0]=3 127 B11R2.1261 C1CCC2(C1)CCNCC2 51842 [1,0,0,1,0,0|2,0,0]=4 128 B11R2.703 OC1CC2(CCNCC2)C1 P15439 [1,0,0,1,0,0|2,0,0]=4 129 B13R3.3861 NC1C2CC3CC(C2)CC1C3 D94469 [0,0,0,2,0,0|2,0,0]=4 130 B13R3.3861 NC1C2CC3CC(C2)CC1C3 F15457 [0,0,0,2,0,0|2,0,0]=4 131 B13R3.3861 O=C1C2CC3CC(C2)CC1C3 AC7531 [0,0,0,2,0,0|2,0,0]=4 132 B13R3.3861 OC1C2CC3CC(C2)CC1C3 F15454 [0,0,0,2,0,0|2,0,0]=4 133 B9R1.12 CCCCN1CCCC1 D94689 [1,0,0,0,1,0|2,0,0]=4 134 B9R1.12 CCCC[C@H]1CCCN1 D83453 [1,0,0,0,1,0|2,0,0]=4 135 B9R1.12 NCCCC1CCCC1 P17748 [1,0,0,0,1,0|2,0,0]=4 136 B9R1.12 OCCCC1CCCC1 AB3609 [1,0,0,0,1,0|2,0,0]=4 137 B9R1.6 CC(=O)C1CCCCC1 P10040 [1,0,0,0,1,0|1,0,1]=4 138 B9R1.6 CC(C)N1CCNCC1 D97776 [1,0,0,0,1,0|2,0,0]=4 139 B9R1.6 CC(C)N1CCNCC1 P10089 [1,0,0,0,1,0|2,0,0]=4 140 B9R1.6 CC(C)[C@@H]1COCCN1 F17610 [1,0,0,0,1,0|2,0,0]=4 141 B9R1.6 CC(C)[C@@H]1COCCN1 FD6010 [1,0,0,0,1,0|2,0,0]=4 142 B9R1.6 CC(C)[C@@H]1COCCN1 FD6025 [1,0,0,0,1,0|2,0,0]=4 143 B9R1.6 CN(C)C1CCNCC1 34424 [1,0,0,0,1,0|2,0,0]=4 144 B9R1.6 CN(C)C1CCNCC1 60162 [1,0,0,0,1,0|2,0,0]=4 145 B9R1.6 CN(C)C1CCNCC1 D82405 [1,0,0,0,1,0|2,0,0]=4 146 B9R1.6 CN(C)[C@H]1CCCNC1 F10905 [1,0,0,0,1,0|2,0,0]=4 147 B9R1.6 C[C@H](N)C1CCCCC1 79906 [1,0,0,0,1,0|0,0,0]=2 148 B9R1.6 C[C@H](N)C1CCCCC1 79909 [1,0,0,0,1,0|0,0,0]=2 149 B9R1.6 C[C@H](N)C1CCCCC1 N12504 [1,0,0,0,1,0|0,0,0]=2 150 B9R1.6 C[C@H](O)C1CCCCC1 F11489 [1,0,0,0,1,0|1,0,0]=3 151 B9R1.6 C[C@H](O)C1CCNCC1 AC1242 [1,0,0,0,1,0|2,0,0]=4 152 B9R1.6 N=C(N)C1CCCCC1 F20883 [1,0,0,0,1,0|1,0,1]=4 153 B9R1.6 NC(=O)C1CCCCC1 78531 [1,0,0,0,1,0|1,0,1]=4 154 B9R1.13 CC(C)C[C@H]1CCCN1 AR1079 [1,0,0,0,1,0|1,0,0]=3 155 B9R1.13 CN(C)C[C@H]1CCCN1 P12171 [1,0,0,0,1,0|2,0,0]=4