0 B11R1.40 COC(=O)CC1CCNCC1 M49566 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.40 COC(=O)CC1CCOCC1 M20436 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.17 BrCCOC1CCCCC1 B47143 [1,0,0,0,0,0|3,0,0]=4 3 B10R1.17 CCCCC1CCNCC1 B0923 [1,0,0,0,0,0|2,0,0]=3 4 B10R1.17 CCCCN1CCOCC1 B47167 [1,0,0,0,0,0|3,0,0]=4 5 B10R1.17 COCCC1CCNCC1 M0867 [1,0,0,0,0,0|2,0,0]=3 6 B10R1.17 COCCC1CCNCC1 M11399 [1,0,0,0,0,0|2,0,0]=3 7 B10R1.17 COCCN1CCNCC1 M43943 [1,0,0,0,0,0|3,0,0]=4 8 B10R1.17 COCC[C@H]1CCCCN1 M49583 [1,0,0,0,0,0|2,0,0]=3 9 B10R1.17 ClCCCN1CCCCC1 C47153 [1,0,0,0,0,0|3,0,0]=4 10 B10R1.17 NNCCN1CCOCC1 H62549 [1,0,0,0,0,0|3,0,0]=4 11 B10R1.17 OCCCC1CCNCC1 P13257 [1,0,0,0,0,0|3,0,0]=4 12 B10R1.17 OCCCN1CCCCC1 P16239 [1,0,0,0,0,0|3,0,0]=4 13 B10R1.18 CC(C)C[C@H]1CCCNC1 B69831 [1,0,0,0,0,0|1,0,0]=2 14 B10R1.18 CN(C)C[C@H]1CNCCO1 D43945 [1,0,0,0,0,0|3,0,0]=4 15 B10R1.18 C[C@H](N)CC1CCCCC1 C52214 [1,0,0,0,0,0|0,0,0]=1 16 B10R1.18 NC(=O)CC1CCNCC1 P13834 [1,0,0,0,0,0|2,0,1]=4 17 B10R1.18 O=C(O)CC1CCCCC1 C69214 [1,0,0,0,0,0|2,0,1]=4 18 B10R1.18 OB(O)CC1CCCCC1 C43936 [1,0,0,0,0,0|3,0,0]=4 19 B12R1.34 COC(=O)[C@@H](N)C1CCCCC1 M66442 [0,1,0,0,0,0|2,0,1]=4 20 B12R1.34 COC(=O)[C@H](N)C1CCCCC1 M52203 [0,1,0,0,0,0|2,0,1]=4 21 B12R1.43 N[C@@H](CC1CCCCC1)C(=O)O A50537 [0,1,0,0,0,0|3,0,0]=4 22 B12R1.43 N[C@@H](CC1CCCCC1)C(=O)O A67496 [0,1,0,0,0,0|3,0,0]=4 23 B12R1.43 N[C@H](CC1CCCCC1)C(=O)O A50534 [0,1,0,0,0,0|3,0,0]=4 24 B12R1.43 N[C@H](CC1CCCCC1)C(=O)O A63264 [0,1,0,0,0,0|3,0,0]=4 25 B12R1.118 COC(CN1CCOCC1)OC D47181 [0,1,0,0,0,0|3,0,0]=4 26 B10R0.74 CCCCCCCC(=O)NO X67416 [0,0,1,0,0,0|2,0,1]=4 27 B12R2.29 N#C[C@H]1C[C@@H]2CCC[C@H](C1)N2 C8106 [0,0,0,1,0,0|3,0,0]=4 28 B12R2.1772 NCC1CC2(CCOCC2)C1 X19846 [0,0,0,1,0,0|3,0,0]=4 29 B12R2.2918 O=C1CC2(CCCCC2)CN1 A63277 [0,0,0,1,0,0|1,0,1]=3 30 B12R2.2918 O=C1CC2(CCNCC2)CN1 D6100 [0,0,0,1,0,0|2,0,1]=4 31 B12R2.2918 O=C1CC2(CCNCC2)CN1 D69378 [0,0,0,1,0,0|2,0,1]=4 32 B12R2.2918 O=C1CC2(CCOCC2)CN1 X10641 [0,0,0,1,0,0|2,0,1]=4 33 B12R2.2918 O=C1C[C@@]2(CCCNC2)CN1 D13918 [0,0,0,1,0,0|2,0,1]=4 34 B10R1.15 CC[C@H](N)C1CCCCC1 C52215 [0,0,0,0,1,0|2,0,0]=3 35 B10R1.15 CC[C@H](O)C1CCNCC1 P62545 [0,0,0,0,1,0|3,0,0]=4 36 B10R1.15 CNC(=O)[C@@H]1CCCNC1 N16649 [0,0,0,0,1,0|2,0,1]=4 37 B10R1.15 CNC(=O)[C@H]1CCCNC1 M16650 [0,0,0,0,1,0|2,0,1]=4 38 B10R1.15 CNC(=O)[C@H]1CCCNC1 M63083 [0,0,0,0,1,0|2,0,1]=4 39 B10R1.15 N[C@H](CO)C1CCCCC1 A47172 [0,0,0,0,1,0|3,0,0]=4 40 B9R0.18 CNCCN(C)CCNC D43959 [1,0,1,0,0,0|2,0,0]=4 41 B9R0.46 CC[C@H](C)CCCCCO M50614 [1,0,1,0,0,0|2,0,0]=4 42 B9R0.2 CC(C)NCCCCCO I38899 [1,0,1,0,0,0|2,0,0]=4 43 B9R0.45 CCCCCCCCC[Mg+] N31713 [1,0,1,0,0,0|2,0,0]=4 44 B9R0.45 CCCCCCCCNC M50621 [1,0,1,0,0,0|0,0,0]=2 45 B9R0.45 CCCCCCCNCC E50620 [1,0,1,0,0,0|2,0,0]=4 46 B9R1.8 BrCCC1CCCCC1 B0374 [2,0,0,0,0,0|1,0,0]=3 47 B9R1.8 BrCCN1CCCCC1 B43882 [2,0,0,0,0,0|2,0,0]=4 48 B9R1.8 CCCC1CCNCC1 P49579 [2,0,0,0,0,0|1,0,0]=3 49 B9R1.8 CCC[C@H]1CCCCN1 P49580 [2,0,0,0,0,0|1,0,0]=3 50 B9R1.8 CCNC1CCOCC1 E43915 [2,0,0,0,0,0|2,0,0]=4 51 B9R1.8 CNCC1CCOCC1 M1162 [2,0,0,0,0,0|1,0,0]=3 52 B9R1.8 CNC[C@H]1CCCOC1 M13661 [2,0,0,0,0,0|1,0,0]=3 53 B9R1.8 COCC1CCNCC1 M14337 [2,0,0,0,0,0|2,0,0]=4 54 B9R1.8 COCC1CCNCC1 M26475 [2,0,0,0,0,0|2,0,0]=4 55 B9R1.8 COC[C@H]1CCCCN1 M46509 [2,0,0,0,0,0|2,0,0]=4 56 B9R1.8 COC[C@H]1CCCCN1 M46512 [2,0,0,0,0,0|2,0,0]=4 57 B9R1.8 ClCCN1CCCCC1 C13526 [2,0,0,0,0,0|2,0,0]=4 58 B9R1.8 ICCC1CCCCC1 I0264 [2,0,0,0,0,0|1,0,0]=3 59 B9R1.8 N#CCC1CCCCC1 C47050 [2,0,0,0,0,0|0,0,2]=4 60 B9R1.8 NCCC1CCCCC1 C49581 [2,0,0,0,0,0|0,0,0]=2 61 B9R1.8 NCCC1CCOCC1 A1671 [2,0,0,0,0,0|1,0,0]=3 62 B9R1.8 NCCC1CCOCC1 T46515 [2,0,0,0,0,0|1,0,0]=3 63 B9R1.8 NCCN1CCCCC1 P22781 [2,0,0,0,0,0|1,0,0]=3 64 B9R1.8 NCCN1CCCCC1 P46604 [2,0,0,0,0,0|1,0,0]=3 65 B9R1.8 NCCN1CCOCC1 M41610 [2,0,0,0,0,0|2,0,0]=4 66 B9R1.8 NNCC1CCOCC1 T18614 [2,0,0,0,0,0|2,0,0]=4 67 B9R1.8 OCCC1CCNCC1 P24598 [2,0,0,0,0,0|2,0,0]=4 68 B9R1.8 OCCC1CCOCC1 H10319 [2,0,0,0,0,0|2,0,0]=4 69 B9R1.8 OCC[C@@H]1CCCCN1 P16189 [2,0,0,0,0,0|2,0,0]=4 70 B9R1.8 OCC[C@H]1CCCCN1 P39300 [2,0,0,0,0,0|2,0,0]=4 71 B9R1.8 OCC[C@H]1CCCCN1 P43911 [2,0,0,0,0,0|2,0,0]=4 72 B9R1.8 OCC[C@H]1CCCCN1 P46511 [2,0,0,0,0,0|2,0,0]=4 73 B9R1.8 OCC[C@H]1CCCNC1 P69769 [2,0,0,0,0,0|2,0,0]=4 74 B9R1.8 [Mg+]CCC1CCCCC1 C31709 [2,0,0,0,0,0|1,0,0]=3 75 B11R0.42 CCCCCCCC(=O)N(C)C D53345 [0,1,1,0,0,0|1,0,1]=4 76 B11R1.1 COCCN1CCC(O)CC1 M24014 [1,1,0,0,0,0|2,0,0]=4 77 B11R1.28 CCNCCN1CCOCC1 E47197 [1,1,0,0,0,0|2,0,0]=4 78 B11R1.28 [N-]=[N+]=NCCC1CCCCC1 A3467 [1,1,0,0,0,0|1,0,1]=4 79 B11R1.91 O=C(O)CCC1CCCCC1 C39553 [1,1,0,0,0,0|2,0,0]=4 80 B11R1.900 CCCC[N+]1(C)CCCCC1 B54254 [1,1,0,0,0,0|2,0,0]=4 81 B11R1.20 CC(C)OC1CCC(=O)CC1 P50502 [1,1,0,0,0,0|1,0,1]=4 82 B11R1.20 CN(C)C[C@H]1CC[C@H](N)CC1 D66308 [1,1,0,0,0,0|1,0,0]=3 83 B11R1.86 CC(C)CN1CCCCC1=O M67602 [1,1,0,0,0,0|1,0,1]=4 84 B11R1.86 CN(C)C[C@H]1CCCCC1=O D50529 [1,1,0,0,0,0|1,0,1]=4 85 B11R1.86 CN(C)C[C@H]1CCCCC1=O D52201 [1,1,0,0,0,0|1,0,1]=4 86 B11R1.22 CNC(=O)[C@H]1CC[C@@H](N)CC1 A65469 [0,1,0,0,1,0|1,0,1]=4 87 B11R2.1 CN1CCC2CCNCC21 M60484 [1,0,0,1,0,0|1,0,0]=3 88 B11R2.1 CN1CCC2CNCCC21 M21789 [1,0,0,1,0,0|1,0,0]=3 89 B11R2.20 C1CCC2NCCCC2C1 D68891 [1,0,0,1,0,0|2,0,0]=4 90 B11R2.20 C1CN2CCOC[C@@H]2CN1 X11955 [1,0,0,1,0,0|2,0,0]=4 91 B11R2.20 C1CN2CCOC[C@@H]2CN1 X13390 [1,0,0,1,0,0|2,0,0]=4 92 B11R2.20 C1CN2CCOC[C@@H]2CN1 X8706 [1,0,0,1,0,0|2,0,0]=4 93 B11R2.20 C1CN2CCOC[C@H]2CN1 X10754 [1,0,0,1,0,0|2,0,0]=4 94 B11R2.20 C1CN2CCOC[C@H]2CN1 X13391 [1,0,0,1,0,0|2,0,0]=4 95 B11R2.20 C1CN[C@@H]2CNCC[C@@H]2C1 D14723 [1,0,0,1,0,0|1,0,0]=3 96 B11R2.20 C1CN[C@@H]2CNCC[C@@H]2C1 D7380 [1,0,0,1,0,0|1,0,0]=3 97 B11R2.20 C1CN[C@H]2CNCC[C@@H]2C1 D13903 [1,0,0,1,0,0|1,0,0]=3 98 B11R2.239 C1CC(C2COC2)CCN1 X7173 [1,0,0,1,0,0|2,0,0]=4 99 B11R2.239 C1CN(C2CNC2)CCO1 A1633 [1,0,0,1,0,0|2,0,0]=4 100 B11R2.239 C1CN(C2CNC2)CCO1 A30992 [1,0,0,1,0,0|2,0,0]=4 101 B11R2.1261 C1CC2(CCN1)CCOC2 X20506 [1,0,0,1,0,0|2,0,0]=4 102 B11R2.1261 C1CC2(CCN1)CCOC2 X30086 [1,0,0,1,0,0|2,0,0]=4 103 B11R2.1261 C1CC2(CCOCC2)CN1 X10439 [1,0,0,1,0,0|1,0,0]=3 104 B11R2.1261 C1CC2(CCOCC2)CN1 X10440 [1,0,0,1,0,0|1,0,0]=3 105 B11R2.1261 C1CC2(CCOCC2)CN1 X6101 [1,0,0,1,0,0|1,0,0]=3 106 B11R2.1261 C1CCC2(CC1)CCNC2 A14069 [1,0,0,1,0,0|0,0,0]=2 107 B11R2.1261 C1CC[C@@]2(CCNC2)OC1 X47116 [1,0,0,1,0,0|1,0,0]=3 108 B11R2.1261 C1CC[C@@]2(CCNC2)OC1 X49564 [1,0,0,1,0,0|1,0,0]=3 109 B11R2.1261 C1CNC[C@@]2(C1)CCOC2 X23357 [1,0,0,1,0,0|2,0,0]=4 110 B11R2.1261 C1COCC2(C1)CCNC2 X20719 [1,0,0,1,0,0|1,0,0]=3 111 B11R2.1261 C1COC[C@@]2(C1)CCNC2 X15501 [1,0,0,1,0,0|1,0,0]=3 112 B11R2.10 CN1CC2CCNCC2C1 M13962 [1,0,0,1,0,0|2,0,0]=4 113 B11R2.433 N[C@H]1CC2CCN(CC2)C1 A12980 [1,0,0,1,0,0|1,0,0]=3 114 B11R2.678 OC1CC2CCCC(C1)N2 A10826 [1,0,0,1,0,0|2,0,0]=4 115 B11R2.678 OC1CC2CNCC(C1)C2 A60191 [1,0,0,1,0,0|2,0,0]=4 116 B11R2.678 O[C@@H]1C[C@@H]2CCC[C@H](C1)N2 A13508 [1,0,0,1,0,0|2,0,0]=4 117 B11R2.678 O[C@@H]1C[C@@H]2CCC[C@H](C1)N2 A22570 [1,0,0,1,0,0|2,0,0]=4 118 B11R2.678 O[C@H]1C[C@@H]2CCC[C@H](C1)N2 A13509 [1,0,0,1,0,0|2,0,0]=4 119 B11R2.678 O[C@H]1C[C@@H]2CCC[C@H](C1)N2 A20711 [1,0,0,1,0,0|2,0,0]=4 120 B11R2.703 CN1CC2(CCNCC2)C1 M20580 [1,0,0,1,0,0|2,0,0]=4 121 B11R2.703 FC1CC2(CCNCC2)C1 F14125 [1,0,0,1,0,0|2,0,0]=4 122 B11R2.703 OC1CC2(CCNCC2)C1 A24404 [1,0,0,1,0,0|2,0,0]=4 123 B11R2.16 CO[C@@H]1C[C@@H]2CC[C@H](C1)N2 M19581 [0,0,0,1,1,0|2,0,0]=4 124 B13R2.5037 O=C1CNC2(CCCCC2)CN1 D62270 [0,0,0,1,0,1|1,0,1]=4 125 B13R3.3861 O=C1C2CC3CC(C2)CC1C3 A69252 [0,0,0,2,0,0|2,0,0]=4 126 B9R1.12 COCC[C@H]1CCCN1 M9079 [1,0,0,0,1,0|2,0,0]=4 127 B9R1.6 CC(=O)C1CCCCC1 C25535 [1,0,0,0,1,0|1,0,1]=4 128 B9R1.6 CC(C)N1CCNCC1 I13369 [1,0,0,0,1,0|2,0,0]=4 129 B9R1.6 CN(C)C1CCNCC1 D23980 [1,0,0,0,1,0|2,0,0]=4 130 B9R1.6 CN(C)C1CCNCC1 D46522 [1,0,0,0,1,0|2,0,0]=4 131 B9R1.6 CN(C)C1CCNCC1 D46603 [1,0,0,0,1,0|2,0,0]=4 132 B9R1.6 C[C@H](Br)C1CCCCC1 B37545 [1,0,0,0,1,0|1,0,0]=3 133 B9R1.13 CN(C)C[C@@H]1CCCN1 D1126 [1,0,0,0,1,0|2,0,0]=4 134 B9R1.13 CN(C)C[C@@H]1CCCN1 D14240 [1,0,0,0,1,0|2,0,0]=4 135 B9R1.13 CN(C)C[C@H]1CCCN1 D11352 [1,0,0,0,1,0|2,0,0]=4 136 B9R1.13 CN(C)C[C@H]1CCNC1 D1147 [1,0,0,0,1,0|2,0,0]=4 137 B9R1.11 CCC(C)C1CCNC1 M69776 [0,0,0,0,2,0|2,0,0]=4