0 B9R1.7 CNC[C@H]1CCC(=O)N1 AT13580 [1,0,0,0,0,0|2,0,0]=3 1 B9R1.7 N#CC[C@H]1CCC(=O)N1 AT10063 [1,0,0,0,0,0|2,0,1]=4 2 B9R1.7 N#CC[C@H]1CCC(=O)N1 AT13573 [1,0,0,0,0,0|2,0,1]=4 3 B9R1.7 N#CC[C@H]1CCC(=O)N1 AT14425 [1,0,0,0,0,0|2,0,1]=4 4 B9R1.7 O=C1CC[C@H](CCO)N1 AT10892 [1,0,0,0,0,0|2,0,0]=3 5 B9R1.12 CCCC[C@H]1CCCN1 N12661 [1,0,0,0,0,0|1,0,1]=3 6 B9R1.12 CNCCC1CCCC1 P11107 [1,0,0,0,0,0|2,0,1]=4 7 B9R1.12 CNCC[C@H]1CCCO1 F20641 [1,0,0,0,0,0|1,0,1]=3 8 B9R1.12 NCCCC1CCCC1 F20043 [1,0,0,0,0,0|2,0,1]=4 9 B11R1.39 COC(=O)C[C@H]1CCC(=O)C1 80323 [0,1,0,0,0,0|2,0,1]=4 10 B11R1.39 COC(=O)C[C@H]1CCC(=O)C1 88865 [0,1,0,0,0,0|2,0,1]=4 11 B11R1.75 CC(C)NC[C@H]1CCC(=O)N1 AT19167 [0,1,0,0,0,0|2,0,0]=3 12 B11R1.230 CCCC[C@@H]1NC(=O)OC1=O AC5829 [0,1,0,0,0,0|2,0,1]=4 13 B11R1.230 CCCC[C@@H]1NC(=O)OC1=O AC8929 [0,1,0,0,0,0|2,0,1]=4 14 B9R0.2 CNCCCCCC(=O)O AT21580 [0,0,1,0,0,0|1,0,0]=2 15 B9R0.2 NCCCCCCC(N)=O AC7480 [0,0,1,0,0,0|2,0,0]=3 16 B9R0.2 [N-]=[N+]=NCCCCC(=O)O D88530 [0,0,1,0,0,0|3,0,0]=4 17 B9R0.4 CCCC[C@H](N)CC(=O)O N14199 [0,0,1,0,0,0|3,0,0]=4 18 B9R0.4 CCCC[C@H](N)CC(=O)O N14200 [0,0,1,0,0,0|3,0,0]=4 19 B9R0.18 CCCCC(C)CCCC T71863 [0,0,1,0,0,0|2,0,1]=4 20 B9R0.46 CCCCCC[C@@H](C)CC T72672 [0,0,1,0,0,0|2,0,1]=4 21 B9R0.46 CCOCCNC(=O)CCl A50975 [0,0,1,0,0,0|3,0,0]=4 22 B9R0.46 COCCCCC(=O)OC AC9127 [0,0,1,0,0,0|3,0,0]=4 23 B11R2.1 O=C1CC[C@H]2CNCCN12 F18941 [0,0,0,1,0,0|2,0,0]=3 24 B11R2.1 O=C1NCC2CNCCC12 P13958 [0,0,0,1,0,0|3,0,0]=4 25 B11R2.1 O=C1NC[C@H]2CNCCN12 AT22725 [0,0,0,1,0,0|3,0,0]=4 26 B11R2.1 O=C1OC[C@H]2CCCCN12 D87354 [0,0,0,1,0,0|2,0,0]=3 27 B11R2.1 O=C1OC[C@H]2CNCCN12 W10095 [0,0,0,1,0,0|3,0,0]=4 28 B11R2.10 O=C1C[C@@H]2CCCC[C@@H]2N1 AT25973 [0,0,0,1,0,0|1,0,0]=2 29 B11R2.352 O=C1C[C@H](C2CCC2)CN1 AT19188 [0,0,0,1,0,0|2,0,0]=3 30 B11R2.748 O=C1NC[C@@]2(CCNC2)O1 AT11747 [0,0,0,1,0,0|2,0,0]=3 31 B11R2.748 O=C1NC[C@@]2(CCNC2)O1 E71008 [0,0,0,1,0,0|2,0,0]=3 32 B11R2.748 O=C1NC[C@@]2(CCNC2)O1 E71009 [0,0,0,1,0,0|2,0,0]=3 33 B11R1.24 CCCC[C@H]1CC(=O)CCN1 S11327 [0,0,0,0,0,1|1,0,0]=2 34 B8R0.4 CCC#CCCCCC T72039 [1,0,1,0,0,0|1,0,1]=4 35 B8R0.4 CNCCCCCCO AT11159 [1,0,1,0,0,0|1,0,1]=4 36 B8R0.4 NCCCCCCCO AT22494 [1,0,1,0,0,0|1,0,1]=4 37 B8R0.7 CC(=O)NCCCCN S12336 [1,0,1,0,0,0|2,0,0]=4 38 B8R0.7 CCCCC#CC(=O)O T71801 [1,0,1,0,0,0|0,0,2]=4 39 B8R0.7 CCCCNCC(=O)O D87235 [1,0,1,0,0,0|1,0,0]=3 40 B8R0.7 CNCCCNC(C)=O C78307 [1,0,1,0,0,0|2,0,0]=4 41 B8R0.7 NC(=O)CCCCCO AC6170 [1,0,1,0,0,0|2,0,0]=4 42 B8R0.7 O=C(O)CCOCCBr C70446 [1,0,1,0,0,0|2,0,0]=4 43 B8R0.7 O=C(O)CCOCCO C70447 [1,0,1,0,0,0|2,0,0]=4 44 B8R0.7 [2H][C@H](O)CCCCCC D99646 [1,0,1,0,0,0|1,0,1]=4 45 B8R0.1 CCCC[C@H](N)CCO D73273 [1,0,1,0,0,0|1,0,1]=4 46 B8R0.5 CCC[C@H](C)OC(C)=O 73904 [1,0,1,0,0,0|0,0,0]=2 47 B8R0.6 CNC(=O)OCCCN AT13711 [1,0,1,0,0,0|2,0,0]=4 48 B8R1.1 CC[C@@H]1CNC(=O)C1 P10810 [2,0,0,0,0,0|2,0,0]=4 49 B8R1.1 CC[C@H]1CCC(=O)C1 W18649 [2,0,0,0,0,0|1,0,0]=3 50 B8R1.1 CC[C@H]1CCC(=O)N1 D72846 [2,0,0,0,0,0|1,0,0]=3 51 B8R1.1 CC[C@H]1COC(=O)N1 W10319 [2,0,0,0,0,0|2,0,0]=4 52 B8R1.1 NC[C@H]1CNC(=O)O1 P12528 [2,0,0,0,0,0|2,0,0]=4 53 B8R1.1 O=C1CC[C@H](CBr)O1 C12574 [2,0,0,0,0,0|1,0,0]=3 54 B8R1.1 O=C1CC[C@H](CI)N1 AT14276 [2,0,0,0,0,0|2,0,0]=4 55 B8R1.1 O=C1CC[C@H](CO)C1 D97067 [2,0,0,0,0,0|2,0,0]=4 56 B8R1.8 CCC[C@H]1CCCN1 N12832 [2,0,0,0,0,0|1,0,1]=4 57 B8R1.8 NCC[C@H]1CCCO1 AT11471 [2,0,0,0,0,0|1,0,1]=4 58 B8R1.8 OCC[C@H]1CCCO1 56770 [2,0,0,0,0,0|1,0,1]=4 59 B10R0.4 CCCCCC\C=C\C(=O)O A11728 [0,1,1,0,0,0|0,0,1]=3 60 B10R0.4 O=C(O)COCCOCCBr C90635 [0,1,1,0,0,0|2,0,0]=4 61 B10R0.4 O=C(O)COCCOCCCl D71995 [0,1,1,0,0,0|2,0,0]=4 62 B10R0.6 CCCCC[C@H](N)CC(=O)O D88166 [0,1,1,0,0,0|0,0,0]=2 63 B10R0.6 NCCCC[C@H](N)CC(=O)O FD10271 [0,1,1,0,0,0|1,0,0]=3 64 B10R0.6 NCCCC[C@H](N)CC(=O)O FD10272 [0,1,1,0,0,0|1,0,0]=3 65 B10R0.6 NCCCC[C@H](N)CC(=O)O FD10302 [0,1,1,0,0,0|1,0,0]=3 66 B10R0.22 [2H]C([2H])(O)CCCCCCC D98285 [0,1,1,0,0,0|1,0,1]=4 67 B10R0.74 CCCCCCC[C@H](O)CO T72466 [0,1,1,0,0,0|0,0,2]=4 68 B10R0.74 COC(=O)CCCCCC=O A51072 [0,1,1,0,0,0|1,0,1]=4 69 B10R0.74 COC(=O)CCCCCCN F19219 [0,1,1,0,0,0|1,0,0]=3 70 B10R0.91 CCCCC[C@@H](O)CCCC T70997 [0,1,1,0,0,0|1,0,1]=4 71 B10R0.91 CCCCC[C@H](O)\C=C\C=O AC8369 [0,1,1,0,0,0|0,0,2]=4 72 B10R0.90 CCCCC(OCC)OCC A10982 [0,1,1,0,0,0|1,0,1]=4 73 B10R0.1 CCOC(=O)CCCCCN 77390 [0,1,1,0,0,0|2,0,0]=4 74 B10R1.29 CCCC[C@H]1CCCC1=O O10708 [1,1,0,0,0,0|1,0,1]=4 75 B10R1.10 CCC[C@H]1CC(=O)CCN1 C75784 [0,0,1,1,0,0|2,0,0]=4 76 B10R1.18 NC(=O)CC1CCNCC1 AC9776 [0,0,1,1,0,0|2,0,0]=4 77 B10R1.18 NC(=O)CC1CCOCC1 C14576 [0,0,1,1,0,0|2,0,0]=4 78 B10R1.18 O=C(O)CN1CCSCC1 AT25287 [0,0,1,1,0,0|2,0,0]=4 79 B10R1.18 O=C(O)CN1CCSCC1 W18219 [0,0,1,1,0,0|2,0,0]=4 80 B10R1.18 O=C(O)C[C@H]1CCCCN1 AC1465 [0,0,1,1,0,0|1,0,0]=3 81 B10R1.18 O=C(O)C[C@H]1CCCNC1 AC3441 [0,0,1,1,0,0|1,0,0]=3 82 B10R1.18 O=C(O)C[C@H]1CNCCN1 S11349 [0,0,1,1,0,0|2,0,0]=4 83 B10R1.18 O=C(O)C[C@H]1COCCN1 77662 [0,0,1,1,0,0|2,0,0]=4 84 B10R1.18 O=C(O)C[C@H]1COCCN1 77663 [0,0,1,1,0,0|2,0,0]=4 85 B10R1.18 O=C(O)C[C@H]1COCCN1 77664 [0,0,1,1,0,0|2,0,0]=4 86 B10R1.18 O=C(O)C[C@H]1COCCO1 39095 [0,0,1,1,0,0|2,0,0]=4 87 B10R1.39 CCN1CCC[C@H]1C(N)=O T72395 [0,0,1,1,0,0|2,0,0]=4 88 B10R1.61 CC1CCCCC1B(O)O D96319 [0,0,1,1,0,0|1,0,1]=4 89 B10R1.61 CC1CNCCC1C(=O)O 33568 [0,0,1,1,0,0|1,0,0]=3 90 B10R1.61 CN1CCNC[C@H]1C(=O)O C14452 [0,0,1,1,0,0|2,0,0]=4 91 B10R1.61 CN1CCNC[C@H]1C(=O)O F13276 [0,0,1,1,0,0|2,0,0]=4 92 B10R1.61 C[C@@H]1CCCN[C@@H]1C(=O)O 92901 [0,0,1,1,0,0|1,0,0]=3 93 B10R1.61 C[C@@H]1CCCN[C@@H]1C(=O)O AT11559 [0,0,1,1,0,0|1,0,0]=3 94 B10R1.61 C[C@@H]1NCCC[C@@H]1C(=O)O AT23064 [0,0,1,1,0,0|1,0,0]=3 95 B10R1.61 C[C@H]1CCCC=C1C(=O)O AT26703 [0,0,1,1,0,0|0,0,2]=4 96 B10R1.61 NC(=O)C1CCCCC1N AT21040 [0,0,1,1,0,0|2,0,0]=4 97 B10R1.61 NC1CCCCC1C(=O)O 71292 [0,0,1,1,0,0|1,0,0]=3 98 B10R1.61 N[C@H]1COCC[C@H]1C(=O)O AT19404 [0,0,1,1,0,0|2,0,0]=4 99 B10R1.64 CC(=O)CN1CCC[C@@H]1C F50240 [0,0,1,1,0,0|2,0,0]=4 100 B10R1.64 CC(=O)CN1CCC[C@@H]1C F50307 [0,0,1,1,0,0|2,0,0]=4 101 B10R1.64 CC(=O)CN1CCC[C@@H]1C F50425 [0,0,1,1,0,0|2,0,0]=4 102 B10R1.348 O=C(O)[C@@H]1CCCCCN1 98384 [0,0,1,1,0,0|1,0,0]=3 103 B10R1.348 O=C(O)[C@H]1CCCNCC1 98343 [0,0,1,1,0,0|1,0,0]=3 104 B10R1.17 O=CCO[C@@H]1CCCCO1 C16249 [0,0,1,1,0,0|1,0,0]=3 105 B10R1.15 NCC(=O)C1CCCCC1 P14033 [0,0,1,1,0,0|2,0,0]=4 106 B10R2.2 O=C1CC2CCOC2O1 D74390 [1,0,0,1,0,0|1,0,0]=3 107 B10R2.14 O=C1CC[C@H](C2CC2)C1 33465 [1,0,0,1,0,0|1,0,0]=3 108 B10R2.32 O=C1CCN2CCC[C@@H]12 F14126 [1,0,0,1,0,0|2,0,0]=4 109 B10R2.63 CN1CC2CC(=O)C1C2 F13927 [1,0,0,1,0,0|2,0,0]=4 110 B10R2.332 O=C1CCC2(CNC2)C1 AT10219 [1,0,0,1,0,0|2,0,0]=4 111 B10R2.332 O=C1NCC2(CNC2)O1 AT10707 [1,0,0,1,0,0|2,0,0]=4 112 B10R2.7 C1CC2CCOC2CN1 W19472 [1,0,0,1,0,0|1,0,1]=4 113 B10R2.7 C1CC[C@@H]2CCC[C@@H]2C1 T72488 [1,0,0,1,0,0|1,0,1]=4 114 B10R2.7 C1CC[C@@H]2CCC[C@H]2C1 T72307 [1,0,0,1,0,0|1,0,1]=4 115 B10R2.316 O=C1CC2(CCCC2)N1 P12755 [0,0,0,1,1,0|1,0,0]=3 116 B10R2.320 O=C1NC2CCCCC12 F18199 [0,0,0,1,1,0|1,0,0]=3 117 B12R2.24 O=C1CN2CCNC[C@H]2CO1 D78736 [0,0,0,1,0,1|2,0,0]=4 118 B12R2.24 O=C1CNC2CCCCC2N1 F14272 [0,0,0,1,0,1|2,0,0]=4 119 B12R2.24 O=C1CO[C@H]2CCNC[C@H]2N1 AT12714 [0,0,0,1,0,1|2,0,0]=4 120 B12R2.24 O=C1CO[C@H]2CCNC[C@H]2N1 AT21907 [0,0,0,1,0,1|2,0,0]=4 121 B12R2.24 O=C1N[C@H]2CNCC[C@@H]2CO1 C77532 [0,0,0,1,0,1|2,0,0]=4 122 B12R2.1175 O=C1C=CC2(CCCC2)CC1 F19764 [0,0,0,1,0,1|1,0,0]=3 123 B12R2.1175 O=C1CCC2(CCCC2)CC1 F19719 [0,0,0,1,0,1|1,0,0]=3 124 B12R2.1175 O=C1CO[C@]2(CCNC2)CN1 P21032 [0,0,0,1,0,1|2,0,0]=4 125 B12R2.6 O=C1CC(C2CCNC2)CN1 AT19067 [0,1,0,1,0,0|2,0,0]=4 126 B12R2.6 O=C1CC[C@H](N2CCCC2)N1 D76183 [0,1,0,1,0,0|1,0,0]=3 127 B12R2.2918 O=C1CCC2(CCNCC2)N1 AT19051 [0,1,0,1,0,0|1,0,0]=3 128 B12R2.2918 O=C1COC2(CCNCC2)C1 27573 [0,1,0,1,0,0|2,0,0]=4 129 B12R2.2918 O=C1COC2(CCNCC2)N1 F30677 [0,1,0,1,0,0|2,0,0]=4 130 B12R2.2918 O=C1NCC2(CCNCC2)O1 D74957 [0,1,0,1,0,0|1,0,0]=3 131 B12R2.2489 CC1(C)OC[C@@H]2CCC(=O)N21 AT10328 [0,1,0,1,0,0|2,0,0]=4 132 B12R2.2489 CC1(C)OC[C@@H]2CCC(=O)N21 S11855 [0,1,0,1,0,0|2,0,0]=4 133 B12R2.783 O=C1NC(=O)C2(CCCC2)O1 D75119 [0,1,0,1,0,0|1,0,1]=4 134 B12R2.2028 O=C1CC(=O)N2CCCC[C@@H]12 69431 [0,1,0,1,0,0|1,0,1]=4 135 B8R0.8 CC(=O)N(C)CCCN C78500 [0,0,1,0,1,0|2,0,0]=4 136 B8R0.8 CCCC[C@H](C)C(C)C T70746 [0,0,1,0,1,0|1,0,1]=4 137 B8R0.8 CCCC[C@H](N)C(N)=O S11604 [0,0,1,0,1,0|2,0,0]=4 138 B8R1.10 CNCCC1CCC1 P12905 [1,0,0,0,1,0|1,0,1]=4 139 B8R1.10 CNCC[C@H]1CCN1 F50261 [1,0,0,0,1,0|2,0,0]=4 140 B8R1.10 COCC[C@H]1CCN1 F50258 [1,0,0,0,1,0|2,0,0]=4 141 B8R1.10 COCC[C@H]1CCN1 F50334 [1,0,0,0,1,0|2,0,0]=4