0 B9R0.2 CC(=O)OCCCCCBr B43861 [1,0,0,0,0,0|3,0,0]=4 1 B9R0.2 CCCCCCCB(O)O H43957 [1,0,0,0,0,0|1,0,1]=3 2 B9R0.2 NCCCCCCC(=O)O A46516 [1,0,0,0,0,0|1,0,0]=2 3 B9R0.2 NCCCCCCC(=O)O A67452 [1,0,0,0,0,0|1,0,0]=2 4 B9R0.2 O=C(O)CCCCCCBr B43862 [1,0,0,0,0,0|1,0,0]=2 5 B9R0.2 O=C(O)CCCCCCO H36659 [1,0,0,0,0,0|1,0,0]=2 6 B9R0.2 [N-]=[N+]=NCCCCC(=O)O A1942 [1,0,0,0,0,0|3,0,0]=4 7 B11R0.46 CCCCC[C@H](C)CCC(=O)O M53337 [0,1,0,0,0,0|0,0,0]=1 8 B11R1.91 O=C(O)CCC1CCCCC1 C39553 [0,0,0,1,0,0|0,0,0]=1 9 B11R1.91 O=C(O)CCC1CCNCC1 P60724 [0,0,0,1,0,0|1,0,0]=2 10 B11R1.91 O=C(O)CCN1CCOCC1 M43855 [0,0,0,1,0,0|2,0,0]=3 11 B11R1.91 O=C(O)\C=C\C1CCCCC1 C9422 [0,0,0,1,0,0|0,0,2]=3 12 B11R1.91 O=C([O-])CCN1CCOCC1 L43798 [0,0,0,1,0,0|2,0,1]=4 13 B11R1.167 CN1CCN(C)[C@H](C(=O)O)C1 D63116 [0,0,0,1,0,0|2,0,0]=3 14 B8R0.4 C=CCCCCCCCl C47108 [2,0,0,0,0,0|2,0,0]=4 15 B8R0.4 CCCCCCCNC M47212 [2,0,0,0,0,0|2,0,0]=4 16 B8R0.4 OCCCCCCCBr B43940 [2,0,0,0,0,0|1,0,1]=4 17 B8R0.7 C#CCCCCC(=O)O H43713 [2,0,0,0,0,0|0,0,2]=4 18 B8R0.7 C=CCCCCC(=O)O H63383 [2,0,0,0,0,0|0,0,2]=4 19 B8R0.7 CCCCCCB(O)O H41623 [2,0,0,0,0,0|1,0,1]=4 20 B8R0.7 CCCCCC[C@@H](C)O X47207 [2,0,0,0,0,0|1,0,1]=4 21 B8R0.7 COCCOCC(=O)O M37948 [2,0,0,0,0,0|2,0,0]=4 22 B8R0.7 NCCOCCC(=O)O A40415 [2,0,0,0,0,0|2,0,0]=4 23 B8R0.7 O=C(O)CCCCCBr B67880 [2,0,0,0,0,0|1,0,0]=3 24 B8R0.7 O=C(O)CCCCCCl C41527 [2,0,0,0,0,0|1,0,0]=3 25 B8R0.7 O=C(O)CCOCCBr B41274 [2,0,0,0,0,0|2,0,0]=4 26 B8R0.7 O=C([O-])CCCCCO P41406 [2,0,0,0,0,0|1,0,1]=4 27 B8R0.1 CCCC[C@H](N)CCO A62132 [2,0,0,0,0,0|1,0,0]=3 28 B10R0.3 CCOC(=O)CCCC(=O)O E43824 [1,1,0,0,0,0|1,0,1]=4 29 B10R0.4 CCCCCCCCB(O)O O4860 [1,1,0,0,0,0|1,0,1]=4 30 B10R0.4 CCCCCCCCC(C)=O D53335 [1,1,0,0,0,0|1,0,0]=3 31 B10R0.4 NCCCCCCCC(=O)O A69217 [1,1,0,0,0,0|0,0,0]=2 32 B10R0.4 NCCOCCOCC(=O)O A41596 [1,1,0,0,0,0|2,0,0]=4 33 B10R0.4 NCCOCCOCC(=O)O A43505 [1,1,0,0,0,0|2,0,0]=4 34 B10R0.4 O=C(O)CCCCCCCBr B47140 [1,1,0,0,0,0|0,0,0]=2 35 B10R0.4 O=C(O)COCCOCCCl C61801 [1,1,0,0,0,0|2,0,0]=4 36 B10R0.4 [N-]=[N+]=NCCCCCC(=O)O A1945 [1,1,0,0,0,0|2,0,0]=4 37 B10R0.74 CCCCCCCC(=O)NO X67416 [1,1,0,0,0,0|0,0,0]=2 38 B10R0.74 COC(=O)CCCCCCBr M47141 [1,1,0,0,0,0|1,0,0]=3 39 B10R0.74 COC(=O)CCCCCCN M49584 [1,1,0,0,0,0|1,0,0]=3 40 B10R0.75 CCCCCC[C@H](N)C(=O)O A37358 [1,1,0,0,0,0|0,0,0]=2 41 B10R1.10 CCC[C@H]1CC(=O)CCN1 P49563 [1,0,0,1,0,0|2,0,0]=4 42 B10R1.18 NC(=O)CC1CCNCC1 P13834 [1,0,0,1,0,0|2,0,0]=4 43 B10R1.18 O=C(O)CC1CCCCC1 C69214 [1,0,0,1,0,0|0,0,0]=2 44 B10R1.18 O=C(O)CC1CCNCC1 P7877 [1,0,0,1,0,0|1,0,0]=3 45 B10R1.18 O=C(O)CC1CCOCC1 T0118 [1,0,0,1,0,0|1,0,0]=3 46 B10R1.18 O=C(O)CN1CCOCC1 M41512 [1,0,0,1,0,0|2,0,0]=4 47 B10R1.18 O=C(O)CN1CCOCC1 M43451 [1,0,0,1,0,0|2,0,0]=4 48 B10R1.18 O=C(O)C[C@H]1CCCCO1 T37652 [1,0,0,1,0,0|1,0,0]=3 49 B10R1.18 O=C(O)C[C@H]1CCCNC1 P10342 [1,0,0,1,0,0|1,0,0]=3 50 B10R1.18 O=C(O)C[C@H]1CCCNC1 P46485 [1,0,0,1,0,0|1,0,0]=3 51 B10R1.18 O=C(O)C[C@H]1CNCCO1 M43454 [1,0,0,1,0,0|2,0,0]=4 52 B10R1.18 O=C(O)C[C@H]1COCCN1 M13099 [1,0,0,1,0,0|2,0,0]=4 53 B10R1.18 O=C(O)C[C@H]1COCCN1 M43452 [1,0,0,1,0,0|2,0,0]=4 54 B10R1.18 O=C(O)C[C@H]1COCCO1 D11968 [1,0,0,1,0,0|2,0,0]=4 55 B10R1.18 OB(O)CC1CCCCC1 C43936 [1,0,0,1,0,0|1,0,1]=4 56 B10R1.61 CC1NCCCC1C(=O)O M46488 [1,0,0,1,0,0|1,0,0]=3 57 B10R1.61 CN1CCCC[C@@H]1C(=O)O M23602 [1,0,0,1,0,0|1,0,0]=3 58 B10R1.61 CN1CCCC[C@H]1C(=O)O M23603 [1,0,0,1,0,0|1,0,0]=3 59 B10R1.61 CN1CCCC[C@H]1C(=O)O M46486 [1,0,0,1,0,0|1,0,0]=3 60 B10R1.61 C[C@@H]1OCCN[C@H]1C(=O)O M43457 [1,0,0,1,0,0|2,0,0]=4 61 B10R1.66 O=C(O)CCC1CCCC1 C69098 [1,0,0,1,0,0|0,0,0]=2 62 B10R1.66 O=C(O)CCC1OCCO1 D36694 [1,0,0,1,0,0|2,0,0]=4 63 B10R1.66 O=C(O)CCN1CCCC1 P43845 [1,0,0,1,0,0|1,0,0]=3 64 B10R1.78 O=C1CCCCCCCN1 A62814 [1,0,0,1,0,0|1,0,0]=3 65 B10R1.86 CCCN1CC[C@H]1C(=O)O P29785 [1,0,0,1,0,0|1,0,0]=3 66 B10R1.86 O=C(O)[C@@H]1CCN1CCF A30114 [1,0,0,1,0,0|2,0,0]=4 67 B10R1.348 NC(=O)C1CCCCCC1 C47114 [1,0,0,1,0,0|1,0,0]=3 68 B10R1.348 O=C(O)C1CCC=CCC1 C47016 [1,0,0,1,0,0|0,0,2]=4 69 B10R1.348 O=C(O)[C@H]1CCCNCC1 H1656 [1,0,0,1,0,0|1,0,0]=3 70 B10R1.17 CCCCC1CCNCC1 B0923 [1,0,0,1,0,0|2,0,0]=4 71 B10R1.17 OCCCC1CCNCC1 P13257 [1,0,0,1,0,0|1,0,1]=4 72 B10R1.17 OCCCN1CCCCC1 P16239 [1,0,0,1,0,0|1,0,1]=4 73 B10R1.1 CCCC1CCC(=O)CC1 P50500 [1,0,0,1,0,0|1,0,0]=3 74 B10R1.59 C[C@@H]1C[C@@H](C(=O)O)N(C)C1 D30131 [1,0,0,1,0,0|1,0,0]=3 75 B10R1.59 C[C@H]1C[C@@H](C(=O)O)N(C)C1 D29906 [1,0,0,1,0,0|1,0,0]=3 76 B10R1.113 CC1CCCC(C(=O)O)N1 M43847 [1,0,0,1,0,0|1,0,0]=3 77 B10R1.113 CN1CCC[C@H](C(=O)O)C1 M12564 [1,0,0,1,0,0|1,0,0]=3 78 B10R1.113 C[C@@H]1CCN[C@@H](C(=O)O)C1 M25194 [1,0,0,1,0,0|1,0,0]=3 79 B10R1.113 C[C@@H]1CNC[C@H](C(=O)O)C1 M59674 [1,0,0,1,0,0|1,0,0]=3 80 B10R1.113 C[C@H]1CNC[C@@H](C(=O)O)C1 M59675 [1,0,0,1,0,0|1,0,0]=3 81 B10R1.113 C[C@H]1CNC[C@H](C(=O)O)C1 M59698 [1,0,0,1,0,0|1,0,0]=3 82 B10R1.113 N[C@@H]1CCC[C@@H](C(=O)O)C1 A15487 [1,0,0,1,0,0|1,0,0]=3 83 B10R1.113 N[C@@H]1CCC[C@@H](C(=O)O)C1 A27720 [1,0,0,1,0,0|1,0,0]=3 84 B10R1.113 N[C@@H]1CCC[C@H](C(=O)O)C1 A27835 [1,0,0,1,0,0|1,0,0]=3 85 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 A13773 [1,0,0,1,0,0|1,0,0]=3 86 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 A15702 [1,0,0,1,0,0|1,0,0]=3 87 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 A27836 [1,0,0,1,0,0|1,0,0]=3 88 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 A46492 [1,0,0,1,0,0|1,0,0]=3 89 B10R1.113 N[C@H]1CCC[C@H](C(=O)O)C1 A27837 [1,0,0,1,0,0|1,0,0]=3 90 B10R1.113 O=C(O)C1CC(O)CCN1 H36833 [1,0,0,1,0,0|2,0,0]=4 91 B10R1.113 O=C(O)C1CCCC(O)C1 H43817 [1,0,0,1,0,0|1,0,0]=3 92 B10R1.113 O=C(O)[C@H]1C[C@H](O)CCN1 H43459 [1,0,0,1,0,0|2,0,0]=4 93 B10R1.113 O=C1CCC[C@H](C(=O)O)C1 X43724 [1,0,0,1,0,0|1,0,1]=4 94 B10R1.54 O=C(O)C[C@@H]1C[C@@H](O)CN1 H69795 [0,0,0,1,1,0|2,0,0]=4 95 B10R1.165 CCC1CN(C)[C@@H]1C(=O)O A30112 [0,0,0,1,1,0|1,0,0]=3 96 B12R1.1 CCCCCC1CCC(=O)CC1 P55088 [0,1,0,1,0,0|1,0,0]=3 97 B12R1.1 CCCCCC1CCC(O)CC1 P55142 [0,1,0,1,0,0|1,0,1]=4 98 B12R1.27 COC(=O)CO[C@@H]1CCCCO1 M47106 [0,1,0,1,0,0|2,0,0]=4 99 B12R1.371 COC(=O)CC1CNCCC1C M30168 [0,1,0,1,0,0|1,0,0]=3 100 B12R1.43 N[C@@H](CC1CCCCC1)C(=O)O A50537 [0,1,0,1,0,0|0,0,0]=2 101 B12R1.43 N[C@@H](CC1CCCCC1)C(=O)O A67496 [0,1,0,1,0,0|0,0,0]=2 102 B12R1.43 N[C@@H](CC1CCOCC1)C(=O)O A49574 [0,1,0,1,0,0|1,0,0]=3 103 B12R1.43 N[C@H](CC1CCCCC1)C(=O)O A50534 [0,1,0,1,0,0|0,0,0]=2 104 B12R1.43 N[C@H](CC1CCCCC1)C(=O)O A63264 [0,1,0,1,0,0|0,0,0]=2 105 B12R2.24 O=C1CCC2CCCCC2O1 X50435 [0,0,0,2,0,0|0,0,0]=2 106 B12R2.1175 O=C1CCC2(CCOC2)CC1 X11072 [0,0,0,2,0,0|2,0,0]=4 107 B12R2.253 O=C(O)C1CC2CCC(C1)O2 X12034 [0,0,0,2,0,0|1,0,0]=3 108 B12R2.253 O=C(O)C1CC2CCC(C2)C1 B60221 [0,0,0,2,0,0|0,0,0]=2 109 B12R2.253 O=C(O)[C@H]1C[C@@H]2CC[C@H](C1)N2 A10640 [0,0,0,2,0,0|1,0,0]=3 110 B12R2.1661 O=C(O)CN1CC2CCC1C2 A47060 [0,0,0,2,0,0|1,0,0]=3 111 B12R2.1154 CN1C2CCCC1CC(=O)C2 M10689 [0,0,0,2,0,0|2,0,0]=4 112 B12R2.250 O=C(O)[C@@H]1CC12CCOCC2 X59727 [0,0,0,2,0,0|1,0,0]=3 113 B12R2.250 O=C(O)[C@H]1CC12CCOCC2 X11552 [0,0,0,2,0,0|1,0,0]=3 114 B12R2.250 O=C(O)[C@H]1CC12CCOCC2 X59728 [0,0,0,2,0,0|1,0,0]=3 115 B12R2.1392 CC(=O)[C@H]1CC2CCC1CC2 B53207 [0,0,0,2,0,0|1,0,0]=3 116 B12R2.1392 O=C(O)[C@@H]1CC2CCN1CC2 A60211 [0,0,0,2,0,0|1,0,0]=3 117 B12R2.1392 O=C(O)[C@@H]1CC2CCN1CC2 Q64369 [0,0,0,2,0,0|1,0,0]=3 118 B12R2.1392 O=C(O)[C@H]1CC2CCN1CC2 Q64370 [0,0,0,2,0,0|1,0,0]=3 119 B12R2.1392 O=C(O)[C@H]1NC2CCC1CC2 A11880 [0,0,0,2,0,0|1,0,0]=3 120 B12R2.1392 O=C(O)[C@H]1NC2CCC1CC2 A14773 [0,0,0,2,0,0|1,0,0]=3 121 B12R2.2918 O=C1CC2(CCCCC2)CN1 A63277 [0,0,0,2,0,0|2,0,0]=4 122 B12R2.2918 O=C1CCC2(CCNCC2)N1 D19305 [0,0,0,2,0,0|2,0,0]=4 123 B12R2.2918 O=C1CCC2(CCNCC2)O1 X64174 [0,0,0,2,0,0|1,0,0]=3 124 B12R2.2918 O=C1CC[C@@]2(CCCNC2)O1 X64505 [0,0,0,2,0,0|1,0,0]=3 125 B12R2.3188 O=C(O)C1CC2(C1)OCCO2 D15914 [0,0,0,2,0,0|2,0,0]=4 126 B12R2.3188 O=C(O)C1CC2(CCCN2)C1 A14677 [0,0,0,2,0,0|1,0,0]=3 127 B12R2.3188 O=C(O)C1CC2(CCCN2)C1 A20248 [0,0,0,2,0,0|1,0,0]=3 128 B8R0.5 CCC[C@H](N)CC(=O)O A43488 [1,0,0,0,1,0|1,0,0]=3 129 B8R0.5 CCC\C(C)=C\C(=O)O M62391 [1,0,0,0,1,0|0,0,2]=4 130 B8R0.8 CCCC[C@H](N)C(=O)O A68582 [0,0,0,0,2,0|1,0,0]=3 131 B8R0.8 CSCC[C@H](N)C(=O)O M60616 [0,0,0,0,2,0|2,0,0]=4