0 B12R1.32 CCOC(=O)C=C1CCCNC1 E52195 [0,0,0,0,0,0|3,0,1]=4 1 B12R1.32 CCOC(=O)C=C1CCOCC1 E12043 [0,0,0,0,0,0|3,0,1]=4 2 B12R1.32 CCOC(=O)CC1CCNCC1 E0928 [0,0,0,0,0,0|3,0,0]=3 3 B12R1.32 CCOC(=O)CC1CCNCC1 E24428 [0,0,0,0,0,0|3,0,0]=3 4 B12R1.32 CCOC(=O)CC1CCOCC1 E8052 [0,0,0,0,0,0|3,0,0]=3 5 B12R1.32 CCOC(=O)CN1CCOCC1 E47127 [0,0,0,0,0,0|4,0,0]=4 6 B12R1.32 CCOC(=O)C[C@H]1CCCNC1 E10869 [0,0,0,0,0,0|3,0,0]=3 7 B12R1.32 CCOC(=O)\C=C1\CCCNC1 E52196 [0,0,0,0,0,0|3,0,1]=4 8 B11R1.28 BrCCCO[C@@H]1CCCCO1 B47142 [1,0,0,0,0,0|2,0,1]=4 9 B11R1.40 COC(=O)CC1CCNCC1 M49566 [1,0,0,0,0,0|3,0,0]=4 10 B11R1.40 COC(=O)CC1CCOCC1 M20436 [1,0,0,0,0,0|3,0,0]=4 11 B13R1.19 CCOC(=O)CC1CCC(=O)CC1 E24374 [0,1,0,0,0,0|2,0,1]=4 12 B13R1.19 CCOC(=O)C[C@H]1CC[C@H](N)CC1 E25275 [0,1,0,0,0,0|2,0,0]=3 13 B13R1.19 CCOC(=O)C[C@H]1CC[C@H](N)CC1 E53290 [0,1,0,0,0,0|2,0,0]=3 14 B13R1.19 CCOC(=O)C[C@H]1CC[C@H](O)CC1 E67160 [0,1,0,0,0,0|2,0,0]=3 15 B13R1.20 CCOC(=O)CC1CCNC(C)C1 X30145 [0,1,0,0,0,0|3,0,0]=4 16 B13R1.47 CCOC(=O)[C@@H](N)C1CCOCC1 E15546 [0,1,0,0,0,0|3,0,0]=4 17 B13R1.348 C[C@H](Cl)OC(=O)OC1CCCCC1 C39552 [0,1,0,0,0,0|1,0,0]=2 18 B13R1.470 CCOC(=O)CC1CCNCC1C E20779 [0,1,0,0,0,0|3,0,0]=4 19 B13R1.2570 CCOC(=O)CC1(O)CCCCC1 E53277 [0,1,0,0,0,0|2,0,0]=3 20 B11R0.4 CCOC(=O)CCCCCCBr E50560 [0,0,1,0,0,0|3,0,0]=4 21 B11R0.4 CCOC(=O)CCCCCCN E52216 [0,0,1,0,0,0|3,0,0]=4 22 B11R0.4 CC\C=C/CCOC(=O)CCC H39623 [0,0,1,0,0,0|0,0,2]=3 23 B13R2.15 O=C1CCCN1C2CCNCC2 P52198 [0,0,0,1,0,0|2,0,0]=3 24 B13R2.11128 O=C1CC2(CCNCC2)CCN1 D55427 [0,0,0,1,0,0|3,0,0]=4 25 B13R2.11128 O=C1CCCC2(CCNCC2)N1 D13940 [0,0,0,1,0,0|2,0,0]=3 26 B13R2.11128 O=C1CCCC2(CCNCC2)N1 D16941 [0,0,0,1,0,0|2,0,0]=3 27 B13R2.11128 O=C1NC2(CCNCC2)CCO1 X7222 [0,0,0,1,0,0|3,0,0]=4 28 B13R2.11128 O=C1NCCC2(CCNCC2)O1 X49556 [0,0,0,1,0,0|2,0,0]=3 29 B13R2.11128 O=C1N[C@@]2(CCCNC2)CCO1 X7224 [0,0,0,1,0,0|3,0,0]=4 30 B11R1.16 CCCC(=O)N1CCNCC1 P63909 [0,0,0,0,1,0|2,0,0]=3 31 B11R1.16 CCOC(=O)C1CCNCC1 E29669 [0,0,0,0,1,0|2,0,0]=3 32 B11R1.16 CCOC(=O)C1CCNCC1 P28285 [0,0,0,0,1,0|2,0,0]=3 33 B11R1.16 CCOC(=O)C1CCOCC1 E47102 [0,0,0,0,1,0|2,0,0]=3 34 B11R1.16 CCOC(=O)C1OCCCO1 D10084 [0,0,0,0,1,0|3,0,0]=4 35 B11R1.16 CCOC(=O)C1SCCCS1 D10076 [0,0,0,0,1,0|3,0,0]=4 36 B11R1.16 CCOC(=O)N1CCCCC1 E47120 [0,0,0,0,1,0|2,0,0]=3 37 B11R1.16 CCOC(=O)N1CCNCC1 E39297 [0,0,0,0,1,0|3,0,0]=4 38 B11R1.16 CCOC(=O)[C@@H]1CCCCN1 E47117 [0,0,0,0,1,0|2,0,0]=3 39 B11R1.16 CCOC(=O)[C@@H]1CCCCN1 E49565 [0,0,0,0,1,0|2,0,0]=3 40 B11R1.16 CCOC(=O)[C@@H]1CCCCN1 E49567 [0,0,0,0,1,0|2,0,0]=3 41 B11R1.16 CCOC(=O)[C@@H]1CCCCO1 E63418 [0,0,0,0,1,0|2,0,0]=3 42 B11R1.16 CCOC(=O)[C@@H]1CCCNC1 D21711 [0,0,0,0,1,0|2,0,0]=3 43 B11R1.16 CCOC(=O)[C@@H]1CCCNC1 E1816 [0,0,0,0,1,0|2,0,0]=3 44 B11R1.16 CCOC(=O)[C@@H]1CCCNC1 E22645 [0,0,0,0,1,0|2,0,0]=3 45 B11R1.16 CCOC(=O)[C@@H]1CNCCN1 E46602 [0,0,0,0,1,0|3,0,0]=4 46 B11R1.16 CCOC(=O)[C@@H]1CNCCO1 E43856 [0,0,0,0,1,0|3,0,0]=4 47 B11R1.16 CCOC(=O)[C@@H]1COCCN1 E46494 [0,0,0,0,1,0|3,0,0]=4 48 B11R1.16 CCOC(=O)[C@H]1CCCNC1 D25574 [0,0,0,0,1,0|2,0,0]=3 49 B11R1.16 CCOC(=O)[C@H]1CCCNC1 E1843 [0,0,0,0,1,0|2,0,0]=3 50 B11R1.16 CCOC(=O)[C@H]1CCCNC1 E23938 [0,0,0,0,1,0|2,0,0]=3 51 B11R1.16 CCOC(=O)[C@H]1CCCNC1 E39525 [0,0,0,0,1,0|2,0,0]=3 52 B11R1.16 N#CCC(=O)C1CCOCC1 X12641 [0,0,0,0,1,0|2,0,1]=4 53 B11R1.30 CCOC(=O)C[C@H]1CCCO1 E47100 [0,0,0,0,1,0|3,0,0]=4 54 B11R1.30 CCOC(=O)C[C@H]1CCNC1 E15030 [0,0,0,0,1,0|3,0,0]=4 55 B13R1.42 CCOC(=O)CO[C@@H]1CCCCO1 E50521 [0,0,0,0,0,1|2,0,0]=3 56 B10R0.1 CCOC(=O)CCCCCBr E39444 [1,0,1,0,0,0|2,0,0]=4 57 B10R0.1 CCOC(=O)CCCCCO E47160 [1,0,1,0,0,0|2,0,0]=4 58 B10R0.74 CC\C=C/CCOC(=O)CC H39554 [1,0,1,0,0,0|0,0,2]=4 59 B10R1.17 BrCCOC1CCCCC1 B47143 [2,0,0,0,0,0|1,0,0]=3 60 B10R1.17 BrCCO[C@@H]1CCCCO1 B43864 [2,0,0,0,0,0|2,0,0]=4 61 B10R1.17 CCCCC1CCNCC1 B0923 [2,0,0,0,0,0|1,0,1]=4 62 B10R1.17 ClCCO[C@@H]1CCCCO1 C43866 [2,0,0,0,0,0|2,0,0]=4 63 B10R1.18 CC(=O)NC1CCNCC1 A43874 [2,0,0,0,0,0|2,0,0]=4 64 B10R1.18 O=C(O)CC1CCCCC1 C69214 [2,0,0,0,0,0|2,0,0]=4 65 B12R0.1 CCOC(=O)CCCCCCCBr E53317 [0,1,1,0,0,0|2,0,0]=4 66 B12R0.4 CCCCCCCC(=O)CC(C)C M67611 [0,1,1,0,0,0|1,0,0]=3 67 B12R0.49 CC\C=C/CCOC(=O)[C@@H](C)CC H39658 [0,1,1,0,0,0|0,0,2]=4 68 B12R0.114 CCCCCC[C@H](Br)C(=O)OCC E39628 [0,1,1,0,0,0|2,0,0]=4 69 B12R1.1 CCCCCC1CCC(O)CC1 P55142 [1,1,0,0,0,0|1,0,1]=4 70 B12R1.1 COCCOC1CCC(O)CC1 M50585 [1,1,0,0,0,0|1,0,1]=4 71 B12R1.1 COCCO[C@H]1CC[C@H](N)CC1 M38350 [1,1,0,0,0,0|1,0,1]=4 72 B12R1.8 BrCCCCO[C@@H]1CCCCO1 B50561 [1,1,0,0,0,0|1,0,1]=4 73 B12R1.34 COC(=O)C(=O)C1CCCCC1 M24628 [1,1,0,0,0,0|2,0,0]=4 74 B12R1.34 COC(=O)[C@@H](N)C1CCCCC1 M66442 [1,1,0,0,0,0|2,0,0]=4 75 B12R1.34 COC(=O)[C@H](N)C1CCCCC1 M52203 [1,1,0,0,0,0|2,0,0]=4 76 B12R1.16 C=C1CCC(C(=O)OCC)CC1 E53209 [0,1,0,0,1,0|1,0,1]=4 77 B12R1.16 CCOC(=O)C1CCC(N)CC1 E24029 [0,1,0,0,1,0|1,0,0]=3 78 B12R1.16 CCOC(=O)C1CCC(N)CC1 E52205 [0,1,0,0,1,0|1,0,0]=3 79 B12R1.16 CCOC(=O)C1CCC(N)CC1 E52207 [0,1,0,0,1,0|1,0,0]=3 80 B12R1.16 CCOC(=O)C1CCC(N)CO1 E14987 [0,1,0,0,1,0|2,0,0]=4 81 B12R1.16 CCOC(=O)C1CCC(O)CC1 E37902 [0,1,0,0,1,0|1,0,0]=3 82 B12R1.16 CCOC(=O)C1CCC(O)CC1 E50510 [0,1,0,0,1,0|1,0,0]=3 83 B12R1.16 CCOC(=O)C1CCC(O)CO1 E11761 [0,1,0,0,1,0|2,0,0]=4 84 B12R1.16 CCOC(=O)C1CCN(C)CC1 E50535 [0,1,0,0,1,0|2,0,0]=4 85 B12R1.16 CCOC(=O)N1CCC(N)CC1 E47148 [0,1,0,0,1,0|2,0,0]=4 86 B12R1.16 CCOC(=O)N1CCC(O)CC1 E39442 [0,1,0,0,1,0|2,0,0]=4 87 B12R1.16 CCOC(=O)[C@@H]1CC[C@@H](N)CO1 E14997 [0,1,0,0,1,0|2,0,0]=4 88 B12R1.16 CCOC(=O)[C@H]1CC[C@@H](N)CO1 E14994 [0,1,0,0,1,0|2,0,0]=4 89 B12R1.16 CCOC(=O)[C@H]1CC[C@@H](O)CO1 E14996 [0,1,0,0,1,0|2,0,0]=4 90 B12R1.16 CCOC(=O)[C@H]1CC[C@H](O)CO1 E14995 [0,1,0,0,1,0|2,0,0]=4 91 B12R1.17 CCOC(=O)[C@H]1CCCC(=O)C1 E23119 [0,1,0,0,1,0|1,0,1]=4 92 B12R1.17 CCOC(=O)[C@H]1C[C@H](C)CCN1 E25195 [0,1,0,0,1,0|2,0,0]=4 93 B12R1.308 CCOC(=O)C1CCCCC1O E50509 [0,1,0,0,1,0|1,0,0]=3 94 B12R1.308 CCOC(=O)[C@@H]1CCCCC1=O E50439 [0,1,0,0,1,0|1,0,1]=4 95 B12R1.308 CCOC(=O)[C@@H]1CCCCN1C E50530 [0,1,0,0,1,0|2,0,0]=4 96 B12R1.308 CCOC(=O)[C@@H]1CCCC[C@@H]1O E50512 [0,1,0,0,1,0|1,0,0]=3 97 B12R1.308 CCOC(=O)[C@@H]1CCCC[C@H]1O E50513 [0,1,0,0,1,0|1,0,0]=3 98 B12R1.308 CCOC(=O)[C@@H]1CCCN[C@@H]1C E29500 [0,1,0,0,1,0|2,0,0]=4 99 B12R1.1595 CCOC(=O)C1(C)CCNCC1 E22475 [0,1,0,0,1,0|2,0,0]=4 100 B12R1.1595 CCOC(=O)C1(C)CCNCC1 E37315 [0,1,0,0,1,0|2,0,0]=4 101 B12R1.1595 CCOC(=O)C1(F)CCNCC1 E49560 [0,1,0,0,1,0|2,0,0]=4 102 B12R1.1595 CCOC(=O)C1(N)CCCCC1 E52202 [0,1,0,0,1,0|1,0,0]=3 103 B12R1.1595 CCOC(=O)C1(N)CCSCC1 E29577 [0,1,0,0,1,0|2,0,0]=4 104 B12R1.1595 CCOC(=O)C1(O)CCCCC1 E32369 [0,1,0,0,1,0|1,0,0]=3 105 B12R1.1595 CCOC(=O)[C@@]1(C)CCCNC1 E52204 [0,1,0,0,1,0|2,0,0]=4 106 B12R1.1595 CCOC(=O)[C@]1(C)CCCNC1 E22903 [0,1,0,0,1,0|2,0,0]=4 107 B14R1.6824 CCOC(=O)CC1CCC(F)(F)CC1 E53210 [0,2,0,0,0,0|2,0,0]=4 108 B12R2.4370 C1CCC2(CCNCC2)OC1 X52200 [1,0,0,1,0,0|1,0,1]=4 109 B12R2.18 CN1C(=O)O[C@@H]2CNCC[C@@H]21 M20227 [1,0,0,1,0,0|2,0,0]=4 110 B12R2.24 O=C1CCC2CCCCC2O1 X50435 [1,0,0,1,0,0|0,0,0]=2 111 B12R2.2918 O=C1CC2(CCCCC2)CN1 A63277 [1,0,0,1,0,0|2,0,0]=4 112 B12R2.2918 O=C1CCC2(CCNCC2)N1 D19305 [1,0,0,1,0,0|2,0,0]=4 113 B12R2.2918 O=C1CCC2(CCNCC2)O1 X64174 [1,0,0,1,0,0|1,0,0]=3 114 B12R2.2918 O=C1CC[C@@]2(CCCNC2)O1 X64505 [1,0,0,1,0,0|1,0,0]=3 115 B12R2.13 O=C1CC(=O)C12CCCCC2 S50286 [0,0,0,1,1,0|1,0,1]=4 116 B12R2.1469 CCOC(=O)C12CNCC1C2 E14526 [0,0,0,1,1,0|2,0,0]=4 117 B12R2.1469 CCOC(=O)C12CNCC1C2 E49551 [0,0,0,1,1,0|2,0,0]=4 118 B12R2.1479 CCOC(=O)C1C2CNCC21 E49552 [0,0,0,1,1,0|2,0,0]=4 119 B12R2.1479 CCOC(=O)C1C2COCC21 E47026 [0,0,0,1,1,0|2,0,0]=4 120 B12R2.1479 CCOC(=O)[C@@H]1[C@H]2COC[C@H]21 E13625 [0,0,0,1,1,0|2,0,0]=4 121 B12R2.1479 CCOC(=O)[C@H]1[C@H]2COC[C@H]21 E18958 [0,0,0,1,1,0|2,0,0]=4 122 B12R2.1488 CCOC(=O)C1CC2CC2C1 E29680 [0,0,0,1,1,0|1,0,0]=3 123 B12R2.2075 O=C(C1CC1)N2CCNCC2 C24454 [0,0,0,1,1,0|2,0,0]=4 124 B12R2.2075 O=C(C1CC1)N2CCNCC2 C67133 [0,0,0,1,1,0|2,0,0]=4 125 B12R2.1423 O=C(N[C@@H]1CCNC1)C2CC2 P67126 [0,0,0,1,1,0|2,0,0]=4 126 B10R1.15 CC[C@H](N)C1CCCCC1 C52215 [1,0,0,0,1,0|1,0,1]=4 127 B10R1.15 CNC(=O)[C@@H]1CCCNC1 N16649 [1,0,0,0,1,0|2,0,0]=4 128 B10R1.15 CNC(=O)[C@H]1CCCNC1 M16650 [1,0,0,0,1,0|2,0,0]=4 129 B10R1.15 CNC(=O)[C@H]1CCCNC1 M63083 [1,0,0,0,1,0|2,0,0]=4 130 B10R1.15 COC(=O)C1CCNCC1 M25177 [1,0,0,0,1,0|2,0,0]=4 131 B10R1.15 COC(=O)C1CCNCC1 M39294 [1,0,0,0,1,0|2,0,0]=4 132 B10R1.15 COC(=O)C1CCOCC1 M10320 [1,0,0,0,1,0|2,0,0]=4 133 B10R1.15 COC(=O)C1CCSCC1 M13092 [1,0,0,0,1,0|2,0,0]=4 134 B10R1.15 COC(=O)[C@@H]1CCCCN1 M28387 [1,0,0,0,1,0|2,0,0]=4 135 B10R1.15 COC(=O)[C@@H]1CCCCN1 M39293 [1,0,0,0,1,0|2,0,0]=4 136 B10R1.15 COC(=O)[C@@H]1CCCCN1 M39425 [1,0,0,0,1,0|2,0,0]=4 137 B10R1.15 COC(=O)[C@@H]1CCCCO1 M43819 [1,0,0,0,1,0|2,0,0]=4 138 B10R1.15 COC(=O)[C@@H]1CCCNC1 M18060 [1,0,0,0,1,0|2,0,0]=4 139 B10R1.15 COC(=O)[C@@H]1CCCNC1 M21650 [1,0,0,0,1,0|2,0,0]=4 140 B10R1.15 COC(=O)[C@H]1CCCNC1 M21649 [1,0,0,0,1,0|2,0,0]=4 141 B10R1.15 COC(=O)[C@H]1CCCNC1 M26313 [1,0,0,0,1,0|2,0,0]=4 142 B10R1.15 COC(=O)[C@H]1CCCOC1 M5495 [1,0,0,0,1,0|2,0,0]=4 143 B10R1.15 NCC(=O)C1CCCCC1 A11156 [1,0,0,0,1,0|1,0,0]=3 144 B10R1.15 NCC(=O)N1CCCCC1 A46500 [1,0,0,0,1,0|2,0,0]=4 145 B10R1.15 O=C(CBr)C1CCOCC1 B13722 [1,0,0,0,1,0|2,0,0]=4 146 B10R1.27 O=C(CCl)NC1CCCC1 C64668 [1,0,0,0,1,0|2,0,0]=4 147 B10R1.11 CCOC(=O)[C@@H]1CCCO1 E43818 [0,0,0,0,2,0|2,0,0]=4 148 B10R1.11 CCOC(=O)[C@H]1CCCN1 E37266 [0,0,0,0,2,0|2,0,0]=4 149 B10R1.11 CCOC(=O)[C@H]1CCNC1 E25456 [0,0,0,0,2,0|2,0,0]=4 150 B10R1.11 N#CCC(=O)C1CCCC1 C10418 [0,0,0,0,2,0|1,0,1]=4