0 B10R0.74 CCCCCCCC(=O)NO X67416 [0,0,0,0,0,0|2,0,0]=2 1 B10R0.74 CC\C=C/CCOC(=O)CC H39554 [0,0,0,0,0,0|1,0,2]=3 2 B10R0.74 COC(=O)CCCCCCBr M47141 [0,0,0,0,0,0|2,0,0]=2 3 B10R0.74 COC(=O)CCCCCCN M49584 [0,0,0,0,0,0|2,0,0]=2 4 B10R0.74 NCC(=O)NCCCCCBr A43903 [0,0,0,0,0,0|3,0,0]=3 5 B9R0.2 CC(=O)OCCCCCBr B43861 [1,0,0,0,0,0|2,0,0]=3 6 B9R0.2 CCCCCCCB(O)O H43957 [1,0,0,0,0,0|2,0,1]=4 7 B9R0.2 NCCCCCCC(=O)O A46516 [1,0,0,0,0,0|2,0,0]=3 8 B9R0.2 NCCCCCCC(=O)O A67452 [1,0,0,0,0,0|2,0,0]=3 9 B9R0.2 O=C(O)CCCCCCBr B43862 [1,0,0,0,0,0|2,0,0]=3 10 B9R0.2 O=C(O)CCCCCCO H36659 [1,0,0,0,0,0|2,0,0]=3 11 B9R0.45 BrCCCCCCCCBr D60579 [1,0,0,0,0,0|2,0,1]=4 12 B9R0.45 CCCCCCCCC[Mg+] N31713 [1,0,0,0,0,0|1,0,1]=3 13 B9R0.45 CCCCCCCCNC M50621 [1,0,0,0,0,0|1,0,1]=3 14 B9R0.45 CCCCCCCN=[N+]=[N-] A1944 [1,0,0,0,0,0|3,0,0]=4 15 B9R0.45 CCCCCCCNCC E50620 [1,0,0,0,0,0|1,0,0]=2 16 B9R0.45 OCCCCCCCCBr B47189 [1,0,0,0,0,0|2,0,1]=4 17 B9R0.45 OCCCCCCCCCl C47190 [1,0,0,0,0,0|2,0,1]=4 18 B9R0.45 OCCCCCCCCO X39448 [1,0,0,0,0,0|2,0,1]=4 19 B9R0.46 CC[C@H](C)CCCCCO M50614 [1,0,0,0,0,0|2,0,1]=4 20 B9R0.46 COC(=O)CCCCCBr M39296 [1,0,0,0,0,0|2,0,0]=3 21 B9R0.46 COC(=O)CCCCCN M67967 [1,0,0,0,0,0|2,0,0]=3 22 B11R0.4 CCOC(=O)CCCCCCBr E50560 [0,1,0,0,0,0|1,0,0]=2 23 B11R0.4 CCOC(=O)CCCCCCN E52216 [0,1,0,0,0,0|1,0,0]=2 24 B11R0.4 CCOC(=O)CCCCN=[N+]=[N-] A9113 [0,1,0,0,0,0|3,0,0]=4 25 B11R0.4 CC\C=C/CCOC(=O)CCC H39623 [0,1,0,0,0,0|1,0,2]=4 26 B11R0.40 CCCCCCC=CC(=O)OC M39622 [0,1,0,0,0,0|1,0,1]=3 27 B11R0.42 CCCCCCCC(=O)N(C)C D53345 [0,1,0,0,0,0|1,0,0]=2 28 B11R0.42 CC\C=C/CCOC(=O)C(C)C H53271 [0,1,0,0,0,0|1,0,2]=4 29 B11R0.111 COC(=O)CCCCCC(=O)O M6367 [0,1,0,0,0,0|2,0,1]=4 30 B11R1.25 COC(=O)CC[C@H]1CCNC1 M6967 [0,0,0,1,0,0|2,0,0]=3 31 B11R1.25 COC(=O)CNC1CCCC1 M49568 [0,0,0,1,0,0|2,0,0]=3 32 B11R1.40 COC(=O)CC1CCNCC1 M49566 [0,0,0,1,0,0|2,0,0]=3 33 B11R1.40 COC(=O)CC1CCOCC1 M20436 [0,0,0,1,0,0|2,0,0]=3 34 B11R1.115 COC(=O)[C@@H]1CCN1CCF A30120 [0,0,0,1,0,0|3,0,0]=4 35 B11R1.222 COC(=O)C1CCNCC1F M59820 [0,0,0,1,0,0|3,0,0]=4 36 B11R1.222 COC(=O)C1CNCCC1O M46495 [0,0,0,1,0,0|3,0,0]=4 37 B11R1.222 COC(=O)[C@@H]1CCCCC1=O M23599 [0,0,0,1,0,0|2,0,1]=4 38 B11R1.222 COC(=O)[C@@H]1CNCCN1C M43879 [0,0,0,1,0,0|3,0,0]=4 39 B11R1.222 COC(=O)[C@@H]1COCC[C@@H]1N M32271 [0,0,0,1,0,0|3,0,0]=4 40 B11R1.852 COC(=O)[C@H]1CCCNCC1 M15039 [0,0,0,1,0,0|2,0,0]=3 41 B8R0.4 BrCCCCCCCBr D43869 [2,0,0,0,0,0|2,0,0]=4 42 B8R0.4 C=CCCCCCCCl C47108 [2,0,0,0,0,0|1,0,1]=4 43 B8R0.4 CCCCCCCNC M47212 [2,0,0,0,0,0|1,0,0]=3 44 B8R0.4 COCCCCCCBr B43941 [2,0,0,0,0,0|2,0,0]=4 45 B8R0.4 OCCCCCCCBr B43940 [2,0,0,0,0,0|2,0,0]=4 46 B8R0.7 CCCCCC[C@@H](C)O X47207 [2,0,0,0,0,0|0,0,2]=4 47 B8R0.7 O=C(O)CCCCCBr B67880 [2,0,0,0,0,0|2,0,0]=4 48 B8R0.7 O=C(O)CCCCCCl C41527 [2,0,0,0,0,0|2,0,0]=4 49 B8R0.7 O=C([O-])CCCCCO P41406 [2,0,0,0,0,0|2,0,0]=4 50 B8R0.6 CCCCCC(=O)CBr B43868 [2,0,0,0,0,0|1,0,0]=3 51 B8R0.6 CCCCC[C@@H](O)CC X47206 [2,0,0,0,0,0|0,0,2]=4 52 B8R0.6 CCCCNC(=O)CCl B41547 [2,0,0,0,0,0|2,0,0]=4 53 B8R0.6 CNCCCC(=O)OC M43486 [2,0,0,0,0,0|2,0,0]=4 54 B8R0.6 COC(=O)CCCCBr M41523 [2,0,0,0,0,0|2,0,0]=4 55 B8R0.6 COC(=O)CCCCCl M63406 [2,0,0,0,0,0|2,0,0]=4 56 B8R0.6 COC(=O)CCCCN M43490 [2,0,0,0,0,0|2,0,0]=4 57 B8R0.6 COCCCC(=O)OC M68350 [2,0,0,0,0,0|2,0,0]=4 58 B10R0.3 CCOC(=O)CCCC(C)=O E47092 [1,1,0,0,0,0|1,0,1]=4 59 B10R0.4 CCCCCCCCC(C)=O D53335 [1,1,0,0,0,0|0,0,0]=2 60 B10R0.4 NCCCCCCCC(=O)O A69217 [1,1,0,0,0,0|1,0,0]=3 61 B10R0.4 O=C(O)CCCCCCCBr B47140 [1,1,0,0,0,0|1,0,0]=3 62 B10R0.22 CCCCCCOS(C)(=O)=O H43951 [1,1,0,0,0,0|2,0,0]=4 63 B10R0.55 COC(=O)CCCCC(C)=O M47094 [1,1,0,0,0,0|1,0,1]=4 64 B10R0.75 CCCCCC[C@H](N)C(=O)O A37358 [1,1,0,0,0,0|1,0,0]=3 65 B10R0.71 BrCCCCCCCCCBr D50565 [1,1,0,0,0,0|1,0,1]=4 66 B10R0.71 ClCCCCCCCCCCl D50566 [1,1,0,0,0,0|1,0,1]=4 67 B10R0.71 OCCCCCCCCCBr B50608 [1,1,0,0,0,0|1,0,1]=4 68 B10R0.71 OCCOCCCCCCCl C61799 [1,1,0,0,0,0|2,0,0]=4 69 B10R0.18 CCCCC(=O)CC(=O)OC M47093 [1,1,0,0,0,0|1,0,1]=4 70 B10R0.83 COC(=O)[C@H](N)CCCCN M46606 [1,1,0,0,0,0|2,0,0]=4 71 B12R0.1 CCOC(=O)CCCCCCCBr E53317 [0,2,0,0,0,0|0,0,0]=2 72 B12R0.1 CCOC(=O)CCCCCN=[N+]=[N-] E9808 [0,2,0,0,0,0|2,0,0]=4 73 B12R0.4 CCCCCCCC(=O)CC(C)C M67611 [0,2,0,0,0,0|0,0,0]=2 74 B12R0.114 CCCCCC[C@H](Br)C(=O)OCC E39628 [0,2,0,0,0,0|0,0,0]=2 75 B12R0.114 CCOC(=O)C(=O)CCCCCCl E50480 [0,2,0,0,0,0|1,0,1]=4 76 B12R0.277 CCOC(=O)CCCCCC(=O)O E50517 [0,2,0,0,0,0|1,0,1]=4 77 B12R0.183 COC(=O)CCCCCC(=O)OC D31456 [0,2,0,0,0,0|1,0,1]=4 78 B12R0.184 COC(=O)CCCCCCC(=O)O M50518 [0,2,0,0,0,0|1,0,1]=4 79 B12R0.184 COC(=O)CCNCCCN(C)C M50612 [0,2,0,0,0,0|2,0,0]=4 80 B12R0.248 CCCCCCCCCC(=O)OC M55143 [0,2,0,0,0,0|1,0,0]=3 81 B10R1.10 CCC[C@H]1CC(=O)CCN1 P49563 [1,0,0,1,0,0|1,0,0]=3 82 B10R1.18 CC(=O)NC1CCNCC1 A43874 [1,0,0,1,0,0|2,0,0]=4 83 B10R1.18 C[C@H](N)CC1CCCCC1 C52214 [1,0,0,1,0,0|1,0,1]=4 84 B10R1.18 NC(=O)CC1CCNCC1 P13834 [1,0,0,1,0,0|2,0,0]=4 85 B10R1.18 O=C(O)CC1CCCCC1 C69214 [1,0,0,1,0,0|1,0,0]=3 86 B10R1.18 O=C(O)CC1CCNCC1 P7877 [1,0,0,1,0,0|2,0,0]=4 87 B10R1.18 O=C(O)CC1CCOCC1 T0118 [1,0,0,1,0,0|2,0,0]=4 88 B10R1.18 O=C(O)C[C@H]1CCCCO1 T37652 [1,0,0,1,0,0|2,0,0]=4 89 B10R1.18 O=C(O)C[C@H]1CCCNC1 P10342 [1,0,0,1,0,0|2,0,0]=4 90 B10R1.18 O=C(O)C[C@H]1CCCNC1 P46485 [1,0,0,1,0,0|2,0,0]=4 91 B10R1.61 CC1NCCCC1C(=O)O M46488 [1,0,0,1,0,0|2,0,0]=4 92 B10R1.61 CN1CCCC[C@@H]1C(=O)O M23602 [1,0,0,1,0,0|2,0,0]=4 93 B10R1.61 CN1CCCC[C@H]1C(=O)O M23603 [1,0,0,1,0,0|2,0,0]=4 94 B10R1.61 CN1CCCC[C@H]1C(=O)O M46486 [1,0,0,1,0,0|2,0,0]=4 95 B10R1.66 O=C(O)CCC1CCCC1 C69098 [1,0,0,1,0,0|1,0,0]=3 96 B10R1.66 O=C(O)CCN1CCCC1 P43845 [1,0,0,1,0,0|2,0,0]=4 97 B10R1.78 O=C1CCCCCCCN1 A62814 [1,0,0,1,0,0|1,0,0]=3 98 B10R1.86 CCCN1CC[C@H]1C(=O)O P29785 [1,0,0,1,0,0|2,0,0]=4 99 B10R1.348 CC(=O)N1CCCNCC1 D43875 [1,0,0,1,0,0|2,0,0]=4 100 B10R1.348 NC(=O)C1CCCCCC1 C47114 [1,0,0,1,0,0|1,0,0]=3 101 B10R1.348 O=C(O)[C@H]1CCCNCC1 H1656 [1,0,0,1,0,0|2,0,0]=4 102 B10R1.17 CCCCC1CCNCC1 B0923 [1,0,0,1,0,0|1,0,0]=3 103 B10R1.17 CCCCN1CCOCC1 B47167 [1,0,0,1,0,0|2,0,0]=4 104 B10R1.17 COCCC1CCNCC1 M0867 [1,0,0,1,0,0|2,0,0]=4 105 B10R1.17 COCCC1CCNCC1 M11399 [1,0,0,1,0,0|2,0,0]=4 106 B10R1.17 OCCCC1CCNCC1 P13257 [1,0,0,1,0,0|2,0,0]=4 107 B10R1.1 CCCC1CCC(=O)CC1 P50500 [1,0,0,1,0,0|0,0,0]=2 108 B10R1.2 CN1C(=O)CCC[C@@H]1CN A27162 [1,0,0,1,0,0|2,0,0]=4 109 B10R1.15 CC[C@H](N)C1CCCCC1 C52215 [1,0,0,1,0,0|1,0,1]=4 110 B10R1.15 CNC(=O)[C@@H]1CCCNC1 N16649 [1,0,0,1,0,0|2,0,0]=4 111 B10R1.15 CNC(=O)[C@H]1CCCNC1 M16650 [1,0,0,1,0,0|2,0,0]=4 112 B10R1.15 CNC(=O)[C@H]1CCCNC1 M63083 [1,0,0,1,0,0|2,0,0]=4 113 B10R1.15 COC(=O)C1CCNCC1 M25177 [1,0,0,1,0,0|2,0,0]=4 114 B10R1.15 COC(=O)C1CCNCC1 M39294 [1,0,0,1,0,0|2,0,0]=4 115 B10R1.15 COC(=O)C1CCOCC1 M10320 [1,0,0,1,0,0|2,0,0]=4 116 B10R1.15 COC(=O)C1CCSCC1 M13092 [1,0,0,1,0,0|2,0,0]=4 117 B10R1.15 COC(=O)[C@@H]1CCCCN1 M28387 [1,0,0,1,0,0|2,0,0]=4 118 B10R1.15 COC(=O)[C@@H]1CCCCN1 M39293 [1,0,0,1,0,0|2,0,0]=4 119 B10R1.15 COC(=O)[C@@H]1CCCCN1 M39425 [1,0,0,1,0,0|2,0,0]=4 120 B10R1.15 COC(=O)[C@@H]1CCCCO1 M43819 [1,0,0,1,0,0|2,0,0]=4 121 B10R1.15 COC(=O)[C@@H]1CCCNC1 M18060 [1,0,0,1,0,0|2,0,0]=4 122 B10R1.15 COC(=O)[C@@H]1CCCNC1 M21650 [1,0,0,1,0,0|2,0,0]=4 123 B10R1.15 COC(=O)[C@H]1CCCNC1 M21649 [1,0,0,1,0,0|2,0,0]=4 124 B10R1.15 COC(=O)[C@H]1CCCNC1 M26313 [1,0,0,1,0,0|2,0,0]=4 125 B10R1.15 COC(=O)[C@H]1CCCOC1 M5495 [1,0,0,1,0,0|2,0,0]=4 126 B10R1.15 NCC(=O)C1CCCCC1 A11156 [1,0,0,1,0,0|1,0,0]=3 127 B10R1.15 NCC(=O)N1CCCCC1 A46500 [1,0,0,1,0,0|2,0,0]=4 128 B10R1.15 O=C(CBr)C1CCOCC1 B13722 [1,0,0,1,0,0|2,0,0]=4 129 B10R1.27 COC(=O)C[C@@H]1CCCN1 M46490 [1,0,0,1,0,0|2,0,0]=4 130 B10R1.27 COC(=O)C[C@H]1CCCN1 M46489 [1,0,0,1,0,0|2,0,0]=4 131 B10R1.27 O=C(CCl)NC1CCCC1 C64668 [1,0,0,1,0,0|2,0,0]=4 132 B10R1.149 COC(=O)[C@@H]1CCCN1C M43852 [1,0,0,1,0,0|2,0,0]=4 133 B10R1.149 COC(=O)[C@H]1CNC[C@@H]1C M32340 [1,0,0,1,0,0|2,0,0]=4 134 B10R1.149 COC(=O)[C@H]1CNC[C@@H]1C M37125 [1,0,0,1,0,0|2,0,0]=4 135 B10R1.153 COC(=O)CCNC1CC1 M43848 [1,0,0,1,0,0|2,0,0]=4 136 B12R1.32 CCOC(=O)CC1CCNCC1 E0928 [0,1,0,1,0,0|1,0,0]=3 137 B12R1.32 CCOC(=O)CC1CCNCC1 E24428 [0,1,0,1,0,0|1,0,0]=3 138 B12R1.32 CCOC(=O)CC1CCOCC1 E8052 [0,1,0,1,0,0|1,0,0]=3 139 B12R1.32 CCOC(=O)CN1CCOCC1 E47127 [0,1,0,1,0,0|2,0,0]=4 140 B12R1.32 CCOC(=O)C[C@H]1CCCNC1 E10869 [0,1,0,1,0,0|1,0,0]=3 141 B12R1.308 CCOC(=O)C1CCCCC1O E50509 [0,1,0,1,0,0|1,0,0]=3 142 B12R1.308 CCOC(=O)[C@@H]1CCCCC1=O E50439 [0,1,0,1,0,0|1,0,1]=4 143 B12R1.308 CCOC(=O)[C@@H]1CCCCN1C E50530 [0,1,0,1,0,0|1,0,0]=3 144 B12R1.308 CCOC(=O)[C@@H]1CCCC[C@@H]1O E50512 [0,1,0,1,0,0|1,0,0]=3 145 B12R1.308 CCOC(=O)[C@@H]1CCCC[C@H]1O E50513 [0,1,0,1,0,0|1,0,0]=3 146 B12R1.308 CCOC(=O)[C@@H]1CCCN[C@@H]1C E29500 [0,1,0,1,0,0|1,0,0]=3 147 B12R1.310 CCOC(=O)CCCNC1CC1 E50533 [0,1,0,1,0,0|1,0,0]=3 148 B12R1.318 CCOC(=O)C[C@H]1CCCC1=O E50438 [0,1,0,1,0,0|1,0,1]=4 149 B12R1.1 CCCCCC1CCC(=O)CC1 P55088 [0,1,0,1,0,0|0,0,0]=2 150 B12R1.1 CCCCCC1CCC(O)CC1 P55142 [0,1,0,1,0,0|0,0,2]=4 151 B12R1.27 COC(=O)CO[C@@H]1CCCCO1 M47106 [0,1,0,1,0,0|2,0,0]=4 152 B12R1.365 COC(=O)[C@@H]1CCCCCC1=O M50440 [0,1,0,1,0,0|1,0,1]=4 153 B12R1.371 COC(=O)CC1CNCCC1C M30168 [0,1,0,1,0,0|1,0,0]=3 154 B12R1.124 CC(C)C(=O)[C@@H]1CCCCC1=O B23455 [0,1,0,1,0,0|1,0,1]=4 155 B12R1.49 COC(=O)CC1CCN(C)CC1 M13931 [0,1,0,1,0,0|2,0,0]=4 156 B12R1.50 COC(=O)CC1CNCC(C)C1 M30165 [0,1,0,1,0,0|2,0,0]=4 157 B12R1.34 COC(=O)C(=O)C1CCCCC1 M24628 [0,1,0,1,0,0|1,0,1]=4 158 B12R1.34 COC(=O)[C@@H](N)C1CCCCC1 M66442 [0,1,0,1,0,0|1,0,0]=3 159 B12R1.34 COC(=O)[C@@H](N)C1CCOCC1 M0708 [0,1,0,1,0,0|2,0,0]=4 160 B12R1.34 COC(=O)[C@@H](N)C1CCOCC1 M49575 [0,1,0,1,0,0|2,0,0]=4 161 B12R1.34 COC(=O)[C@H](N)C1CCCCC1 M52203 [0,1,0,1,0,0|1,0,0]=3 162 B12R2.24 O=C1CCC2CCCCC2O1 X50435 [0,0,0,2,0,0|1,0,0]=3 163 B12R2.1175 O=C1CCC2(CC1)OCCO2 D7118 [0,0,0,2,0,0|2,0,0]=4 164 B12R2.1175 O=C1CCC2(CCOC2)CC1 X11072 [0,0,0,2,0,0|1,0,0]=3 165 B12R2.1596 COC(=O)[C@@H]1C[C@@H]2CC[C@H]1N2 M27113 [0,0,0,2,0,0|2,0,0]=4 166 B12R2.2918 O=C1CC2(CCCCC2)CN1 A63277 [0,0,0,2,0,0|1,0,0]=3 167 B12R2.2918 O=C1CC2(CCNCC2)CN1 D6100 [0,0,0,2,0,0|2,0,0]=4 168 B12R2.2918 O=C1CC2(CCNCC2)CN1 D69378 [0,0,0,2,0,0|2,0,0]=4 169 B12R2.2918 O=C1CC2(CCOCC2)CN1 X10641 [0,0,0,2,0,0|2,0,0]=4 170 B12R2.2918 O=C1CCC2(CCNCC2)N1 D19305 [0,0,0,2,0,0|2,0,0]=4 171 B12R2.2918 O=C1CCC2(CCNCC2)O1 X64174 [0,0,0,2,0,0|2,0,0]=4 172 B12R2.2918 O=C1CC[C@@]2(CCCNC2)O1 X64505 [0,0,0,2,0,0|2,0,0]=4 173 B12R2.2918 O=C1COC2(CCNCC2)C1 X49549 [0,0,0,2,0,0|2,0,0]=4 174 B12R2.2918 O=C1C[C@@]2(CCCNC2)CN1 D13918 [0,0,0,2,0,0|2,0,0]=4 175 B12R2.18 CN1C[C@@H]2CCNC[C@@H]2C1=O M7281 [0,0,0,2,0,0|2,0,0]=4 176 B12R2.18 CN1C[C@H]2CCNC[C@H]2C1=O M14210 [0,0,0,2,0,0|2,0,0]=4 177 B12R2.3810 COC(=O)C1C2CNCC1C2 M7357 [0,0,0,2,0,0|2,0,0]=4 178 B12R2.229 O=C1CCNC[C@@H]2CCCN12 X13267 [0,0,0,2,0,0|2,0,0]=4 179 B12R2.1585 COC(=O)C1CCC2OC2C1 M47027 [0,0,0,2,0,0|2,0,0]=4