0 B8R0.4 BrCCCCCCCBr D43869 [0,0,0,0,0,0|2,0,1]=3 1 B8R0.4 C#CCCCCCCO O5669 [0,0,0,0,0,0|2,0,1]=3 2 B8R0.4 C=CCCCCCCCl C47108 [0,0,0,0,0,0|2,0,0]=2 3 B8R0.4 CCCCCCCNC M47212 [0,0,0,0,0,0|2,0,0]=2 4 B8R0.4 CCCCCCN=[N+]=[N-] A1818 [0,0,0,0,0,0|3,0,0]=3 5 B8R0.4 CCOCCOCCO E60752 [0,0,0,0,0,0|2,0,2]=4 6 B8R0.4 COCCCCCCBr B43941 [0,0,0,0,0,0|2,0,1]=3 7 B8R0.4 COCCNCCOC B64968 [0,0,0,0,0,0|4,0,0]=4 8 B8R0.4 OCCCCCCCBr B43940 [0,0,0,0,0,0|1,0,2]=3 9 B8R0.4 OCCCNCCCO A37173 [0,0,0,0,0,0|2,0,2]=4 10 B8R0.4 [N-]=[N+]=NCCCCCN A1952 [0,0,0,0,0,0|4,0,0]=4 11 B7R0.1 BrCCCCCCBr D41534 [1,0,0,0,0,0|2,0,0]=3 12 B7R0.1 C#CCCCCCO H67855 [1,0,0,0,0,0|0,0,3]=4 13 B7R0.1 C=CCCCCCBr B43831 [1,0,0,0,0,0|1,0,1]=3 14 B7R0.1 C=CCCCCNC M43901 [1,0,0,0,0,0|1,0,1]=3 15 B7R0.1 C=CCCCCNC M46504 [1,0,0,0,0,0|1,0,1]=3 16 B7R0.1 CCCCCCCBr B43897 [1,0,0,0,0,0|1,0,0]=2 17 B7R0.1 CCCCCCC[Mg+] H31707 [1,0,0,0,0,0|1,0,0]=2 18 B7R0.1 CCCCCN=[N+]=[N-] A1948 [1,0,0,0,0,0|3,0,0]=4 19 B7R0.1 CNCCCCNC D41624 [1,0,0,0,0,0|2,0,1]=4 20 B7R0.1 COCCOCCI K40420 [1,0,0,0,0,0|3,0,0]=4 21 B7R0.1 COCCOCCN M38824 [1,0,0,0,0,0|3,0,0]=4 22 B7R0.1 ClCCCCCCBr B39200 [1,0,0,0,0,0|2,0,0]=3 23 B7R0.1 ClCCCCCCI C38559 [1,0,0,0,0,0|2,0,0]=3 24 B7R0.1 ICCCCCCI D41535 [1,0,0,0,0,0|2,0,0]=3 25 B7R0.1 NCCCCCCN H68834 [1,0,0,0,0,0|2,0,0]=3 26 B7R0.1 NCCCCCCO A36606 [1,0,0,0,0,0|1,0,1]=3 27 B7R0.1 NCCCNCCBr B40441 [1,0,0,0,0,0|3,0,0]=4 28 B7R0.1 NCCCNCCO H38578 [1,0,0,0,0,0|2,0,1]=4 29 B7R0.1 O=CCCCCC=O A3137 [1,0,0,0,0,0|1,0,1]=3 30 B7R0.1 OCCCCCCBr B41603 [1,0,0,0,0,0|1,0,1]=3 31 B7R0.1 OCCCCCCCl C64682 [1,0,0,0,0,0|1,0,1]=3 32 B7R0.1 OCCCCCCI I4468 [1,0,0,0,0,0|1,0,1]=3 33 B7R0.1 [N-]=[N+]=NCCCC=O A3802 [1,0,0,0,0,0|3,0,0]=4 34 B9R0.2 CC(=O)OCCCCCBr B43861 [0,1,0,0,0,0|2,0,0]=3 35 B9R0.2 CC(C)NCCCCCO I38899 [0,1,0,0,0,0|1,0,2]=4 36 B9R0.2 CCCCCCCB(O)O H43957 [0,1,0,0,0,0|1,0,1]=3 37 B9R0.2 NCCCCCCC(=O)O A46516 [0,1,0,0,0,0|1,0,0]=2 38 B9R0.2 NCCCCCCC(=O)O A67452 [0,1,0,0,0,0|1,0,0]=2 39 B9R0.2 O=C(O)CCCCCCBr B43862 [0,1,0,0,0,0|1,0,0]=2 40 B9R0.2 O=C(O)CCCCCCO H36659 [0,1,0,0,0,0|1,0,0]=2 41 B9R0.2 [N-]=[N+]=NCCCCC(=O)O A1942 [0,1,0,0,0,0|3,0,0]=4 42 B9R0.45 BrCCCCCCCCBr D60579 [0,1,0,0,0,0|1,0,1]=3 43 B9R0.45 C#CCCCCCCCO N50499 [0,1,0,0,0,0|1,0,1]=3 44 B9R0.45 C=CCCCCCCCCl C50527 [0,1,0,0,0,0|1,0,0]=2 45 B9R0.45 CCCCCCCCC[Mg+] N31713 [0,1,0,0,0,0|1,0,1]=3 46 B9R0.45 CCCCCCCCNC M50621 [0,1,0,0,0,0|1,0,1]=3 47 B9R0.45 CCCCCCCN=[N+]=[N-] A1944 [0,1,0,0,0,0|2,0,0]=3 48 B9R0.45 CCCCCCCNCC E50620 [0,1,0,0,0,0|1,0,1]=3 49 B9R0.45 OCCCCCCC#CI I1888 [0,1,0,0,0,0|1,0,2]=4 50 B9R0.45 OCCCCCCCCBr B47189 [0,1,0,0,0,0|0,0,2]=3 51 B9R0.45 OCCCCCCCCCl C47190 [0,1,0,0,0,0|0,0,2]=3 52 B9R0.45 OCCCCCCCCO X39448 [0,1,0,0,0,0|0,0,2]=3 53 B9R0.45 [N-]=[N+]=NCCCCCCN A1949 [0,1,0,0,0,0|3,0,0]=4 54 B9R0.46 CC[C@H](C)CCCCCO M50614 [0,1,0,0,0,0|0,0,2]=3 55 B9R1.5 CN1CCCCCC1=O M39292 [0,0,0,1,0,0|1,0,0]=2 56 B9R1.5 CN1CCCNCC1=O M1178 [0,0,0,1,0,0|2,0,0]=3 57 B9R1.5 CN1CCNCCC1=O M41536 [0,0,0,1,0,0|2,0,0]=3 58 B9R1.5 CN1CCNCCC1=O M43468 [0,0,0,1,0,0|2,0,0]=3 59 B9R1.5 N[C@@H]1CCCCNC1=O A43466 [0,0,0,1,0,0|2,0,0]=3 60 B9R1.5 N[C@H]1CCCCNC1=O A24830 [0,0,0,1,0,0|2,0,0]=3 61 B9R1.5 N[C@H]1CCCCNC1=O A43463 [0,0,0,1,0,0|2,0,0]=3 62 B9R1.8 BrCCC1CCCCC1 B0374 [0,0,0,1,0,0|1,0,1]=3 63 B9R1.8 BrCCN1CCCCC1 B43882 [0,0,0,1,0,0|2,0,1]=4 64 B9R1.8 C=CC[C@H]1COCCN1 A37189 [0,0,0,1,0,0|3,0,0]=4 65 B9R1.8 CCCC1CCNCC1 P49579 [0,0,0,1,0,0|2,0,1]=4 66 B9R1.8 CCC[C@H]1CCCCN1 P49580 [0,0,0,1,0,0|1,0,1]=3 67 B9R1.8 CNCC1CCOCC1 M1162 [0,0,0,1,0,0|3,0,0]=4 68 B9R1.8 CNC[C@H]1CCCOC1 M13661 [0,0,0,1,0,0|3,0,0]=4 69 B9R1.8 COCC1CCNCC1 M14337 [0,0,0,1,0,0|3,0,0]=4 70 B9R1.8 COCC1CCNCC1 M26475 [0,0,0,1,0,0|3,0,0]=4 71 B9R1.8 COC[C@H]1CCCCN1 M46509 [0,0,0,1,0,0|2,0,1]=4 72 B9R1.8 COC[C@H]1CCCCN1 M46512 [0,0,0,1,0,0|2,0,1]=4 73 B9R1.8 ClCCN1CCCCC1 C13526 [0,0,0,1,0,0|2,0,1]=4 74 B9R1.8 ICCC1CCCCC1 I0264 [0,0,0,1,0,0|1,0,1]=3 75 B9R1.8 N#CCC1CCCCC1 C47050 [0,0,0,1,0,0|1,0,1]=3 76 B9R1.8 N#CCC1CCNCC1 P0816 [0,0,0,1,0,0|2,0,1]=4 77 B9R1.8 N#CCC1CCOCC1 T43772 [0,0,0,1,0,0|2,0,1]=4 78 B9R1.8 N#CC[C@H]1CCCNC1 P0995 [0,0,0,1,0,0|2,0,1]=4 79 B9R1.8 NCCC1CCCCC1 C49581 [0,0,0,1,0,0|1,0,1]=3 80 B9R1.8 NCCC1CCOCC1 A1671 [0,0,0,1,0,0|2,0,1]=4 81 B9R1.8 NCCC1CCOCC1 T46515 [0,0,0,1,0,0|2,0,1]=4 82 B9R1.8 NCCN1CCCCC1 P22781 [0,0,0,1,0,0|2,0,1]=4 83 B9R1.8 NCCN1CCCCC1 P46604 [0,0,0,1,0,0|2,0,1]=4 84 B9R1.8 NNCC1CCOCC1 T18614 [0,0,0,1,0,0|3,0,0]=4 85 B9R1.8 O=CCC1CCOCC1 T12448 [0,0,0,1,0,0|1,0,0]=2 86 B9R1.8 O=CCN1CCOCC1 M13720 [0,0,0,1,0,0|2,0,0]=3 87 B9R1.8 OCCC1CCNCC1 P24598 [0,0,0,1,0,0|1,0,2]=4 88 B9R1.8 OCCC1CCOCC1 H10319 [0,0,0,1,0,0|1,0,2]=4 89 B9R1.8 OCC[C@@H]1CCCCN1 P16189 [0,0,0,1,0,0|1,0,2]=4 90 B9R1.8 OCC[C@H]1CCCCN1 P39300 [0,0,0,1,0,0|1,0,2]=4 91 B9R1.8 OCC[C@H]1CCCCN1 P43911 [0,0,0,1,0,0|1,0,2]=4 92 B9R1.8 OCC[C@H]1CCCCN1 P46511 [0,0,0,1,0,0|1,0,2]=4 93 B9R1.8 OCC[C@H]1CCCNC1 P69769 [0,0,0,1,0,0|1,0,2]=4 94 B9R1.8 [Mg+]CCC1CCCCC1 C31709 [0,0,0,1,0,0|1,0,1]=3 95 B9R1.8 [N-]=[N+]=NC1CCCCC1 A5618 [0,0,0,1,0,0|3,0,0]=4 96 B9R1.12 BrCCCN1CCCC1 B43883 [0,0,0,1,0,0|2,0,1]=4 97 B9R1.12 COCC[C@H]1CCCN1 M9079 [0,0,0,1,0,0|2,0,1]=4 98 B9R1.12 ClCCCN1CCCC1 C24351 [0,0,0,1,0,0|2,0,1]=4 99 B9R1.12 ClCCCN1CCCC1 C43884 [0,0,0,1,0,0|2,0,1]=4 100 B9R1.12 NCCCN1CCCC1 P43942 [0,0,0,1,0,0|2,0,1]=4 101 B9R1.12 OCCCN1CCCC1 P43909 [0,0,0,1,0,0|1,0,2]=4 102 B9R1.14 CCN1CCC[C@@H]1CN A15583 [0,0,0,1,0,0|2,0,1]=4 103 B9R1.14 CCN1CCC[C@@H]1CN A15585 [0,0,0,1,0,0|2,0,1]=4 104 B9R1.14 CCN1CCC[C@H]1CN A15584 [0,0,0,1,0,0|2,0,1]=4 105 B9R1.15 CN1CCCC[C@@H]1CCl C43885 [0,0,0,1,0,0|2,0,1]=4 106 B9R1.15 CN1CCCC[C@@H]1CO M43912 [0,0,0,1,0,0|1,0,2]=4 107 B9R1.15 CN1CCCC[C@@H]1CO M43916 [0,0,0,1,0,0|1,0,2]=4 108 B9R1.15 CN1CCCC[C@H]1CO M43917 [0,0,0,1,0,0|1,0,2]=4 109 B9R1.15 CO[C@H]1COCCC1=O M10506 [0,0,0,1,0,0|2,0,0]=3 110 B9R1.15 N#C[C@H]1CNCCC1=O C10195 [0,0,0,1,0,0|2,0,1]=4 111 B9R1.15 O=CC1=C(Cl)CCCC1 C46451 [0,0,0,1,0,0|1,0,2]=4 112 B9R1.16 C=CCCC[C@@H]1C[C@H]1O P66476 [0,0,0,1,0,0|2,0,0]=3 113 B9R1.33 CN1CCC[C@@H]1CCN A68588 [0,0,0,1,0,0|2,0,1]=4 114 B9R1.33 CN1CCC[C@@H]1CCN M30075 [0,0,0,1,0,0|2,0,1]=4 115 B9R1.33 CN1CCC[C@@H]1CCO M24819 [0,0,0,1,0,0|1,0,2]=4 116 B9R1.33 CN1CCC[C@H]1CCN M13734 [0,0,0,1,0,0|2,0,1]=4 117 B9R1.33 NCCN1CCNC1=O A3994 [0,0,0,1,0,0|3,0,0]=4 118 B9R1.33 NCCN1CCOC1=O A61391 [0,0,0,1,0,0|3,0,0]=4 119 B9R1.50 O=C1CCCCCCC1 C67881 [0,0,0,1,0,0|0,0,0]=1 120 B9R1.50 O=C1CCCCCCN1 A69570 [0,0,0,1,0,0|1,0,0]=2 121 B9R1.89 CO[C@H]1CCCNCC1 M16379 [0,0,0,1,0,0|3,0,0]=4 122 B9R1.89 CO[C@H]1CCCNCC1 M1861 [0,0,0,1,0,0|3,0,0]=4 123 B9R1.89 N#CC1CCCCCC1 C62451 [0,0,0,1,0,0|1,0,1]=3 124 B9R1.89 N#C[C@H]1CCCNCC1 A29590 [0,0,0,1,0,0|2,0,1]=4 125 B9R1.89 NCC1CCCCCC1 C49582 [0,0,0,1,0,0|1,0,1]=3 126 B9R1.89 OC[C@@H]1CCCCCN1 A64396 [0,0,0,1,0,0|1,0,2]=4 127 B9R1.89 OC[C@H]1CCCCNC1 A15700 [0,0,0,1,0,0|1,0,2]=4 128 B6R0.6 C=CCCCCBr B9212 [2,0,0,0,0,0|1,0,1]=4 129 B6R0.6 C=CCCCCO H41549 [2,0,0,0,0,0|1,0,1]=4 130 B6R0.6 C=CCCCC[Mg+] H5025 [2,0,0,0,0,0|1,0,1]=4 131 B6R0.6 CCCCCC[Mg+] H31703 [2,0,0,0,0,0|1,0,0]=3 132 B6R0.6 CCCCCNC M41618 [2,0,0,0,0,0|1,0,0]=3 133 B6R0.6 CNCCCCBr B40429 [2,0,0,0,0,0|2,0,0]=4 134 B6R0.6 CNCCCCO M38840 [2,0,0,0,0,0|1,0,1]=4 135 B6R0.6 COCCCCBr B40422 [2,0,0,0,0,0|2,0,0]=4 136 B6R0.6 ClCCCCCBr B39164 [2,0,0,0,0,0|2,0,0]=4 137 B6R0.6 FCCCCCBr B37978 [2,0,0,0,0,0|2,0,0]=4 138 B6R0.6 ICCCCCI D24633 [2,0,0,0,0,0|2,0,0]=4 139 B6R0.6 O=CCCCCCl C41277 [2,0,0,0,0,0|1,0,0]=3 140 B6R0.6 O=CCCCCO H32202 [2,0,0,0,0,0|1,0,0]=3 141 B8R0.1 CCCC[C@H](N)CCO A62132 [1,1,0,0,0,0|0,0,1]=3 142 B8R0.6 CCCCCC(=O)CBr B43868 [1,1,0,0,0,0|1,0,1]=4 143 B8R0.6 CCCCC[C@@H](O)CC X47206 [1,1,0,0,0,0|0,0,1]=3 144 B8R0.6 NCCCC[C@H](N)CO D43570 [1,1,0,0,0,0|1,0,1]=4 145 B8R0.7 C#CCCCCC(=O)O H43713 [1,1,0,0,0,0|0,0,2]=4 146 B8R0.7 C=CCCCCC(=O)O H63383 [1,1,0,0,0,0|0,0,2]=4 147 B8R0.7 CC(C)NCCCCO I38536 [1,1,0,0,0,0|1,0,1]=4 148 B8R0.7 CCCCCCB(O)O H41623 [1,1,0,0,0,0|1,0,1]=4 149 B8R0.7 CCCCCC[C@@H](C)O X47207 [1,1,0,0,0,0|0,0,1]=3 150 B8R0.7 COCCOCC(=O)O M37948 [1,1,0,0,0,0|2,0,0]=4 151 B8R0.7 NCCNCCC(=O)[O-] S41302 [1,1,0,0,0,0|2,0,0]=4 152 B8R0.7 NCCOCCC(=O)O A40415 [1,1,0,0,0,0|2,0,0]=4 153 B8R0.7 O=C(O)CCCCCBr B67880 [1,1,0,0,0,0|1,0,0]=3 154 B8R0.7 O=C(O)CCCCCCl C41527 [1,1,0,0,0,0|1,0,0]=3 155 B8R0.7 O=C(O)CCOCCBr B41274 [1,1,0,0,0,0|2,0,0]=4 156 B8R0.7 O=C([O-])CCCCCO P41406 [1,1,0,0,0,0|1,0,0]=3 157 B10R0.3 CC(C)CCC[C@H](C)CCBr B53343 [0,2,0,0,0,0|1,0,1]=4 158 B10R0.3 CCOC(=O)CCCC(=O)O E43824 [0,2,0,0,0,0|1,0,1]=4 159 B10R0.3 CCOC(=O)CCCC(C)=O E47092 [0,2,0,0,0,0|1,0,1]=4 160 B10R0.4 CCCCCCCCB(O)O O4860 [0,2,0,0,0,0|0,0,2]=4 161 B10R0.4 CCCCCCCCC(C)=O D53335 [0,2,0,0,0,0|0,0,0]=2 162 B10R0.4 CCCCCC\C=C\B(O)O O4840 [0,2,0,0,0,0|0,0,2]=4 163 B10R0.4 NCCCCCCCC(=O)O A69217 [0,2,0,0,0,0|0,0,0]=2 164 B10R0.4 NCCOCCOCC(=O)O A41596 [0,2,0,0,0,0|2,0,0]=4 165 B10R0.4 NCCOCCOCC(=O)O A43505 [0,2,0,0,0,0|2,0,0]=4 166 B10R0.4 O=C(O)CCCCCCCBr B47140 [0,2,0,0,0,0|0,0,0]=2 167 B10R0.4 O=C(O)COCCOCCCl C61801 [0,2,0,0,0,0|2,0,0]=4 168 B10R0.4 [N-]=[N+]=NCCCCCC(=O)O A1945 [0,2,0,0,0,0|2,0,0]=4 169 B10R0.22 CCCCCCOS(C)(=O)=O H43951 [0,2,0,0,0,0|2,0,0]=4 170 B10R0.55 COC(=O)CCCCC(=O)[O-] M43784 [0,2,0,0,0,0|1,0,1]=4 171 B10R0.55 COC(=O)CCCCC(C)=O M47094 [0,2,0,0,0,0|1,0,1]=4 172 B10R0.74 CCCCCCCC(=O)NO X67416 [0,2,0,0,0,0|0,0,0]=2 173 B10R0.74 COC(=O)CCCCCCBr M47141 [0,2,0,0,0,0|1,0,0]=3 174 B10R0.74 COC(=O)CCCCCCN M49584 [0,2,0,0,0,0|1,0,0]=3 175 B10R0.74 NCC(=O)NCCCCCBr A43903 [0,2,0,0,0,0|2,0,0]=4 176 B10R0.75 CCCCCC[C@H](N)C(=O)O A37358 [0,2,0,0,0,0|0,0,0]=2 177 B10R0.71 BrCCCCCCCCCBr D50565 [0,2,0,0,0,0|1,0,1]=4 178 B10R0.71 C=CCCCCCCCCBr B53284 [0,2,0,0,0,0|1,0,0]=3 179 B10R0.71 CCCCCCCCN=[N+]=[N-] A1810 [0,2,0,0,0,0|1,0,1]=4 180 B10R0.71 CCCCC\C=C\C=C\C=O D68694 [0,2,0,0,0,0|0,0,2]=4 181 B10R0.71 ClCCCCCCCCCCl D50566 [0,2,0,0,0,0|1,0,1]=4 182 B10R0.71 OCCCCCCCCCBr B50608 [0,2,0,0,0,0|0,0,2]=4 183 B10R0.71 OCCOCCCCCCCl C61799 [0,2,0,0,0,0|0,0,2]=4 184 B8R1.2 BrCC1=CCCCC1 B10308 [1,0,0,1,0,0|1,0,1]=4 185 B8R1.2 BrCC1CCCCC1 B43832 [1,0,0,1,0,0|1,0,0]=3 186 B8R1.2 BrCC1CCNCC1 B1292 [1,0,0,1,0,0|2,0,0]=4 187 B8R1.2 BrCC1CCOCC1 B3933 [1,0,0,1,0,0|2,0,0]=4 188 B8R1.2 BrC[C@H]1CCCOC1 B8026 [1,0,0,1,0,0|2,0,0]=4 189 B8R1.2 CCC1COCCN1 O5554 [1,0,0,1,0,0|2,0,0]=4 190 B8R1.2 CC[C@@H]1CNCCN1 E67103 [1,0,0,1,0,0|2,0,0]=4 191 B8R1.2 CC[C@H]1CCCCN1 E46502 [1,0,0,1,0,0|1,0,0]=3 192 B8R1.2 CC[C@H]1CNCCN1 E13389 [1,0,0,1,0,0|2,0,0]=4 193 B8R1.2 CC[C@H]1CNCCN1 E13401 [1,0,0,1,0,0|2,0,0]=4 194 B8R1.2 CC[C@H]1CNCCN1 E65175 [1,0,0,1,0,0|2,0,0]=4 195 B8R1.2 CC[C@H]1COCCN1 E22377 [1,0,0,1,0,0|2,0,0]=4 196 B8R1.2 ClC[C@H]1CCCCN1 C41543 [1,0,0,1,0,0|2,0,0]=4 197 B8R1.2 FCC1CCNCC1 F1237 [1,0,0,1,0,0|2,0,0]=4 198 B8R1.2 FCC1CCNCC1 F14211 [1,0,0,1,0,0|2,0,0]=4 199 B8R1.2 FC[C@H]1CCCCN1 F1342 [1,0,0,1,0,0|2,0,0]=4 200 B8R1.2 ICC1CCCCC1 I38363 [1,0,0,1,0,0|1,0,0]=3 201 B8R1.2 ICC1CCOCC1 I10217 [1,0,0,1,0,0|2,0,0]=4 202 B8R1.2 N#CC1CCCCC1 C69224 [1,0,0,1,0,0|1,0,1]=4 203 B8R1.2 NCC1CCCCC1 C43900 [1,0,0,1,0,0|1,0,0]=3 204 B8R1.2 NCC1CCOCC1 T1166 [1,0,0,1,0,0|2,0,0]=4 205 B8R1.2 NCC1CCSCC1 T13090 [1,0,0,1,0,0|2,0,0]=4 206 B8R1.2 NC[C@@H]1CCCOC1 T14517 [1,0,0,1,0,0|2,0,0]=4 207 B8R1.2 NC[C@H]1CCCCN1 P68366 [1,0,0,1,0,0|2,0,0]=4 208 B8R1.2 NC[C@H]1CCCNC1 P60926 [1,0,0,1,0,0|2,0,0]=4 209 B8R1.2 NC[C@H]1CCCOC1 A14515 [1,0,0,1,0,0|2,0,0]=4 210 B8R1.2 NC[C@H]1CCCOC1 T14516 [1,0,0,1,0,0|2,0,0]=4 211 B8R1.2 NNC1CCCCC1 C43508 [1,0,0,1,0,0|2,0,0]=4 212 B8R1.2 O=CC1CCOCC1 T0115 [1,0,0,1,0,0|1,0,0]=3 213 B8R1.2 O=CC1CCSCC1 T31827 [1,0,0,1,0,0|1,0,0]=3 214 B8R1.2 O=CN1CCCCC1 P68910 [1,0,0,1,0,0|1,0,0]=3 215 B8R1.2 O=CN1CCOCC1 M68909 [1,0,0,1,0,0|2,0,0]=4 216 B8R1.2 OCC1CCNCC1 P0766 [1,0,0,1,0,0|1,0,1]=4 217 B8R1.2 OCC1CCOCC1 H0390 [1,0,0,1,0,0|1,0,1]=4 218 B8R1.2 OCC1CCSCC1 T13093 [1,0,0,1,0,0|1,0,1]=4 219 B8R1.2 OC[C@@H]1CCCCN1 P7111 [1,0,0,1,0,0|1,0,1]=4 220 B8R1.2 OC[C@@H]1CCCCO1 X24024 [1,0,0,1,0,0|1,0,1]=4 221 B8R1.2 OC[C@@H]1CCCNC1 P41579 [1,0,0,1,0,0|1,0,1]=4 222 B8R1.2 OC[C@@H]1CCCNC1 P60999 [1,0,0,1,0,0|1,0,1]=4 223 B8R1.2 OC[C@@H]1CCCOC1 X59846 [1,0,0,1,0,0|1,0,1]=4 224 B8R1.2 OC[C@H]1CCCCN1 H41578 [1,0,0,1,0,0|1,0,1]=4 225 B8R1.2 OC[C@H]1CCCCN1 P7110 [1,0,0,1,0,0|1,0,1]=4 226 B8R1.2 OC[C@H]1CCCNC1 P0762 [1,0,0,1,0,0|1,0,1]=4 227 B8R1.2 OC[C@H]1CCCNC1 P41576 [1,0,0,1,0,0|1,0,1]=4 228 B8R1.2 OC[C@H]1CCCOC1 H11515 [1,0,0,1,0,0|1,0,1]=4 229 B8R1.2 OC[C@H]1CCCOC1 X59849 [1,0,0,1,0,0|1,0,1]=4 230 B8R1.2 ONC1CCCCC1 C43480 [1,0,0,1,0,0|1,0,1]=4 231 B8R1.2 [Mg+]CC1CCCCC1 C31706 [1,0,0,1,0,0|1,0,0]=3 232 B8R1.5 CC1CCNCC1O H11697 [1,0,0,1,0,0|1,0,1]=4 233 B8R1.5 CC1CCNCC1O H11698 [1,0,0,1,0,0|1,0,1]=4 234 B8R1.5 CC1CNCCC1O M17031 [1,0,0,1,0,0|1,0,1]=4 235 B8R1.5 CC1CNCCC1O M41575 [1,0,0,1,0,0|1,0,1]=4 236 B8R1.5 CN1CCNCC1=O M12652 [1,0,0,1,0,0|2,0,0]=4 237 B8R1.5 CN1CCNCC1=O M4395 [1,0,0,1,0,0|2,0,0]=4 238 B8R1.5 C[C@@H]1CCCC[C@@H]1N M46507 [1,0,0,1,0,0|1,0,0]=3 239 B8R1.5 C[C@@H]1CCNC[C@@H]1O H14889 [1,0,0,1,0,0|1,0,1]=4 240 B8R1.5 C[C@@H]1CCNC[C@H]1O H11699 [1,0,0,1,0,0|1,0,1]=4 241 B8R1.5 C[C@@H]1CCNC[C@H]1O H14888 [1,0,0,1,0,0|1,0,1]=4 242 B8R1.5 C[C@@H]1CNCC[C@H]1O M30026 [1,0,0,1,0,0|1,0,1]=4 243 B8R1.5 C[C@@H]1COCC[C@H]1N M14514 [1,0,0,1,0,0|2,0,0]=4 244 B8R1.5 C[C@@H]1COCC[C@H]1N M27647 [1,0,0,1,0,0|2,0,0]=4 245 B8R1.5 C[C@@H]1COCC[C@H]1N M59772 [1,0,0,1,0,0|2,0,0]=4 246 B8R1.5 C[C@H]1CCCCC1=O M68370 [1,0,0,1,0,0|0,0,0]=2 247 B8R1.5 C[C@H]1CCCNC1=O P23372 [1,0,0,1,0,0|1,0,0]=3 248 B8R1.5 C[C@H]1CCNCC1=O M14887 [1,0,0,1,0,0|1,0,0]=3 249 B8R1.5 C[C@H]1CCNC[C@H]1O H11700 [1,0,0,1,0,0|1,0,1]=4 250 B8R1.5 C[C@H]1CNCCC1=O M14880 [1,0,0,1,0,0|1,0,0]=3 251 B8R1.5 C[C@H]1CNCCC1=O M41497 [1,0,0,1,0,0|1,0,0]=3 252 B8R1.5 C[C@H]1COCCC1=O M11408 [1,0,0,1,0,0|1,0,0]=3 253 B8R1.5 C[C@H]1COCC[C@@H]1N M59773 [1,0,0,1,0,0|2,0,0]=4 254 B8R1.5 C[C@H]1COCC[C@H]1N M11514 [1,0,0,1,0,0|2,0,0]=4 255 B8R1.5 NN1CCCCC1=O A41312 [1,0,0,1,0,0|2,0,0]=4 256 B8R1.5 N[C@@H]1CCCC[C@H]1N C22236 [1,0,0,1,0,0|2,0,0]=4 257 B8R1.5 N[C@@H]1CCCC[C@H]1N C60843 [1,0,0,1,0,0|2,0,0]=4 258 B8R1.5 N[C@@H]1CCCC[C@H]1O A41577 [1,0,0,1,0,0|1,0,1]=4 259 B8R1.5 N[C@@H]1CCCC[C@H]1O A43481 [1,0,0,1,0,0|1,0,1]=4 260 B8R1.5 N[C@@H]1CCCNC1=O A41314 [1,0,0,1,0,0|2,0,0]=4 261 B8R1.5 N[C@H]1CCCCC1=O A63504 [1,0,0,1,0,0|1,0,0]=3 262 B8R1.5 N[C@H]1CCCC[C@@H]1N C65455 [1,0,0,1,0,0|2,0,0]=4 263 B8R1.5 N[C@H]1CCCC[C@@H]1O A43482 [1,0,0,1,0,0|1,0,1]=4 264 B8R1.5 N[C@H]1CCCC[C@@H]1O A64879 [1,0,0,1,0,0|1,0,1]=4 265 B8R1.5 N[C@H]1CCCC[C@H]1N C67193 [1,0,0,1,0,0|2,0,0]=4 266 B8R1.5 N[C@H]1CCCC[C@H]1O A38152 [1,0,0,1,0,0|1,0,1]=4 267 B8R1.5 N[C@H]1CCCC[C@H]1O A43479 [1,0,0,1,0,0|1,0,1]=4 268 B8R1.5 N[C@H]1CCCNC1=O A38933 [1,0,0,1,0,0|2,0,0]=4 269 B8R1.5 N[C@H]1CCCNC1=O A41313 [1,0,0,1,0,0|2,0,0]=4 270 B8R1.5 N[C@H]1CCCNC1=O A64847 [1,0,0,1,0,0|2,0,0]=4 271 B8R1.5 O=C1CCCCC1=O C67839 [1,0,0,1,0,0|1,0,1]=4 272 B8R1.5 O=C1CCNC[C@@H]1F F11694 [1,0,0,1,0,0|2,0,0]=4 273 B8R1.5 O=C1CCNC[C@@H]1F F13759 [1,0,0,1,0,0|2,0,0]=4 274 B8R1.5 O=C1CCOC[C@@H]1Br B7711 [1,0,0,1,0,0|2,0,0]=4 275 B8R1.5 O=C1CCOC[C@@H]1F F5739 [1,0,0,1,0,0|2,0,0]=4 276 B8R1.5 O=C1NCCC[C@@H]1Br B41219 [1,0,0,1,0,0|2,0,0]=4 277 B8R1.5 O=C1NCCC[C@@H]1O H36756 [1,0,0,1,0,0|2,0,0]=4 278 B8R1.5 OC1CCCCC1Cl C41533 [1,0,0,1,0,0|1,0,1]=4 279 B8R1.5 O[C@H]1CCCC[C@H]1O C61980 [1,0,0,1,0,0|1,0,1]=4 280 B8R1.8 COC[C@@H]1CCCN1 M14243 [1,0,0,1,0,0|2,0,0]=4 281 B8R1.8 COC[C@H]1CCCN1 M14242 [1,0,0,1,0,0|2,0,0]=4 282 B8R1.8 ClCCN1CCCC1 C41544 [1,0,0,1,0,0|2,0,0]=4 283 B8R1.8 NCCC1CCCC1 C46503 [1,0,0,1,0,0|1,0,0]=3 284 B8R1.8 NCCN1CCCC1 P41605 [1,0,0,1,0,0|2,0,0]=4 285 B8R1.8 NCC[C@H]1CCCO1 T1128 [1,0,0,1,0,0|1,0,1]=4 286 B8R1.8 OCC[C@H]1CCCN1 P11010 [1,0,0,1,0,0|1,0,1]=4 287 B8R1.8 OCC[C@H]1CCNC1 P29904 [1,0,0,1,0,0|1,0,1]=4 288 B8R1.11 CC[C@H]1CCCC1=O E43799 [1,0,0,1,0,0|0,0,0]=2 289 B8R1.11 CN1CCC[C@@H]1CN M8172 [1,0,0,1,0,0|2,0,0]=4 290 B8R1.11 CN1CCC[C@@H]1CO M14129 [1,0,0,1,0,0|1,0,1]=4 291 B8R1.11 CN1CCC[C@@H]1CO M41582 [1,0,0,1,0,0|1,0,1]=4 292 B8R1.11 CN1CCC[C@H]1CBr B41540 [1,0,0,1,0,0|2,0,0]=4 293 B8R1.11 CN1CCC[C@H]1CN M0297 [1,0,0,1,0,0|2,0,0]=4 294 B8R1.11 CN1CCC[C@H]1CN M43564 [1,0,0,1,0,0|2,0,0]=4 295 B8R1.11 CN1CCC[C@H]1CO M12480 [1,0,0,1,0,0|1,0,1]=4 296 B8R1.11 CO[C@H]1CCC[C@H]1N M60050 [1,0,0,1,0,0|2,0,0]=4 297 B8R1.11 C[C@@H]1CNC[C@H]1CO M41583 [1,0,0,1,0,0|1,0,1]=4 298 B8R1.11 C[C@H]1CNC[C@@H]1CO M60070 [1,0,0,1,0,0|1,0,1]=4 299 B8R1.11 O=C1CCC[C@@H]1CO H41464 [1,0,0,1,0,0|1,0,0]=3 300 B8R1.11 O=C1NCC[C@@H]1CO H13645 [1,0,0,1,0,0|2,0,0]=4 301 B8R1.13 COC[C@@H]1CC[C@H]1N M60130 [1,0,0,1,0,0|2,0,0]=4 302 B8R1.13 COC[C@H]1CC[C@@H]1N M59762 [1,0,0,1,0,0|2,0,0]=4 303 B8R1.22 C[C@H]1CCNCCN1 M13937 [1,0,0,1,0,0|2,0,0]=4 304 B8R1.22 F[C@H]1CCCNCC1 F12235 [1,0,0,1,0,0|2,0,0]=4 305 B8R1.22 N[C@@H]1CCCCNC1 A14699 [1,0,0,1,0,0|2,0,0]=4 306 B8R1.22 N[C@H]1CCCCNC1 A41604 [1,0,0,1,0,0|2,0,0]=4 307 B8R1.22 O=C1C=CCCCC1 C67890 [1,0,0,1,0,0|0,0,2]=4 308 B8R1.22 O=C1CCCNCC1 H12307 [1,0,0,1,0,0|1,0,0]=3 309 B8R1.22 O=C1CCOCCN1 X16165 [1,0,0,1,0,0|2,0,0]=4 310 B8R1.22 O=C1CCSCCN1 T6235 [1,0,0,1,0,0|2,0,0]=4 311 B8R1.22 O=C1CNCCCN1 D38834 [1,0,0,1,0,0|2,0,0]=4 312 B8R1.22 O[C@H]1CCCNCC1 H12234 [1,0,0,1,0,0|1,0,1]=4 313 B10R1.10 CCC[C@H]1CC(=O)CCN1 P49563 [0,1,0,1,0,0|1,0,0]=3 314 B10R1.18 CC(=O)NC1CCNCC1 A43874 [0,1,0,1,0,0|2,0,0]=4 315 B10R1.18 CC(C)C[C@H]1CCCNC1 B69831 [0,1,0,1,0,0|2,0,0]=4 316 B10R1.18 C[C@H](N)CC1CCCCC1 C52214 [0,1,0,1,0,0|1,0,1]=4 317 B10R1.18 NC(=O)CC1CCNCC1 P13834 [0,1,0,1,0,0|1,0,0]=3 318 B10R1.18 O=C(O)CC1CCCCC1 C69214 [0,1,0,1,0,0|0,0,0]=2 319 B10R1.18 O=C(O)CC1CCNCC1 P7877 [0,1,0,1,0,0|1,0,0]=3 320 B10R1.18 O=C(O)CC1CCOCC1 T0118 [0,1,0,1,0,0|1,0,0]=3 321 B10R1.18 O=C(O)CN1CCOCC1 M41512 [0,1,0,1,0,0|2,0,0]=4 322 B10R1.18 O=C(O)CN1CCOCC1 M43451 [0,1,0,1,0,0|2,0,0]=4 323 B10R1.18 O=C(O)C[C@H]1CCCCO1 T37652 [0,1,0,1,0,0|1,0,0]=3 324 B10R1.18 O=C(O)C[C@H]1CCCNC1 P10342 [0,1,0,1,0,0|1,0,0]=3 325 B10R1.18 O=C(O)C[C@H]1CCCNC1 P46485 [0,1,0,1,0,0|1,0,0]=3 326 B10R1.18 O=C(O)C[C@H]1CNCCO1 M43454 [0,1,0,1,0,0|2,0,0]=4 327 B10R1.18 O=C(O)C[C@H]1COCCN1 M13099 [0,1,0,1,0,0|2,0,0]=4 328 B10R1.18 O=C(O)C[C@H]1COCCN1 M43452 [0,1,0,1,0,0|2,0,0]=4 329 B10R1.18 O=C(O)C[C@H]1COCCO1 D11968 [0,1,0,1,0,0|2,0,0]=4 330 B10R1.18 OB(O)CC1CCCCC1 C43936 [0,1,0,1,0,0|1,0,1]=4 331 B10R1.61 CC(C)C1CCCCC1O P50579 [0,1,0,1,0,0|0,0,2]=4 332 B10R1.61 CC(C)N1CCNCC1=O P46498 [0,1,0,1,0,0|2,0,0]=4 333 B10R1.61 CC1NCCCC1C(=O)O M46488 [0,1,0,1,0,0|1,0,0]=3 334 B10R1.61 CN1CCCC[C@@H]1C(=O)O M23602 [0,1,0,1,0,0|1,0,0]=3 335 B10R1.61 CN1CCCC[C@H]1C(=O)O M23603 [0,1,0,1,0,0|1,0,0]=3 336 B10R1.61 CN1CCCC[C@H]1C(=O)O M46486 [0,1,0,1,0,0|1,0,0]=3 337 B10R1.61 C[C@@H]1OCCN[C@H]1C(=O)O M43457 [0,1,0,1,0,0|2,0,0]=4 338 B10R1.66 O=C(O)CCC1CCCC1 C69098 [0,1,0,1,0,0|0,0,0]=2 339 B10R1.66 O=C(O)CCC1OCCO1 D36694 [0,1,0,1,0,0|2,0,0]=4 340 B10R1.66 O=C(O)CCN1CCCC1 P43845 [0,1,0,1,0,0|1,0,0]=3 341 B10R1.78 O=C1CCCCCCCN1 A62814 [0,1,0,1,0,0|0,0,0]=2 342 B10R1.86 CCCN1CC[C@H]1C(=O)O P29785 [0,1,0,1,0,0|1,0,0]=3 343 B10R1.86 O=C(O)[C@@H]1CCN1CCF A30114 [0,1,0,1,0,0|2,0,0]=4 344 B10R1.348 CC(=O)N1CCCNCC1 D43875 [0,1,0,1,0,0|2,0,0]=4 345 B10R1.348 NC(=O)C1CCCCCC1 C47114 [0,1,0,1,0,0|0,0,0]=2 346 B10R1.348 O=C(O)C1CCC=CCC1 C47016 [0,1,0,1,0,0|0,0,2]=4 347 B10R1.348 O=C(O)[C@H]1CCCNCC1 H1656 [0,1,0,1,0,0|1,0,0]=3 348 B10R1.25 CC[C@H]1CNC(=O)CC1=O E14290 [0,1,0,1,0,0|1,0,1]=4 349 B10R1.29 CCCCN1CCCC1=O B68886 [0,1,0,1,0,0|0,0,0]=2 350 B10R1.85 ClCCN1CCCCCC1 C47152 [0,1,0,1,0,0|1,0,1]=4 351 B10R1.85 ClCCN1CCCCCC1 C65016 [0,1,0,1,0,0|1,0,1]=4 352 B10R1.85 OCCN1CCCCCC1 A47168 [0,1,0,1,0,0|0,0,2]=4 353 B10R1.135 CCOC(=O)C1CC1C=O E43726 [0,1,0,1,0,0|1,0,1]=4 354 B10R1.245 CC1CCCC(C)C1CO D60472 [0,1,0,1,0,0|0,0,2]=4 355 B10R1.17 BrCCOC1CCCCC1 B47143 [0,1,0,1,0,0|1,0,1]=4 356 B10R1.17 CCCCC1CCNCC1 B0923 [0,1,0,1,0,0|1,0,1]=4 357 B10R1.17 COCCC1CCNCC1 M0867 [0,1,0,1,0,0|2,0,0]=4 358 B10R1.17 COCCC1CCNCC1 M11399 [0,1,0,1,0,0|2,0,0]=4 359 B10R1.17 COCC[C@H]1CCCCN1 M49583 [0,1,0,1,0,0|1,0,1]=4 360 B10R1.17 ClCCCN1CCCCC1 C47153 [0,1,0,1,0,0|1,0,1]=4 361 B10R1.17 OCCCC1CCNCC1 P13257 [0,1,0,1,0,0|0,0,2]=4 362 B10R1.17 OCCCN1CCCCC1 P16239 [0,1,0,1,0,0|0,0,2]=4 363 B10R1.5 C=CCN1CCC[C@@H]1CN A47145 [0,1,0,1,0,0|2,0,0]=4 364 B10R1.20 CNC1CCCCC1NC D47193 [0,1,0,1,0,0|2,0,0]=4 365 B10R1.20 CNC1CCCCC1NC D49589 [0,1,0,1,0,0|2,0,0]=4 366 B10R1.20 CN[C@@H]1CCCC[C@H]1NC D24849 [0,1,0,1,0,0|2,0,0]=4 367 B10R1.20 CN[C@@H]1CCCC[C@H]1NC D24908 [0,1,0,1,0,0|2,0,0]=4 368 B10R1.20 CN[C@@H]1CCCC[C@H]1NC D60931 [0,1,0,1,0,0|2,0,0]=4 369 B10R1.20 CN[C@H]1CCCC[C@@H]1NC D47194 [0,1,0,1,0,0|2,0,0]=4 370 B10R1.20 OC[C@@H]1CCCC[C@H]1CO C47157 [0,1,0,1,0,0|0,0,2]=4 371 B10R1.20 OC[C@H]1CCCC[C@@H]1CO C47158 [0,1,0,1,0,0|0,0,2]=4 372 B10R1.1 CN1CCN(CC=O)CC1 M13721 [0,1,0,1,0,0|2,0,0]=4 373 B10R1.1 N#CC[C@H]1CC[C@H](N)CC1 A29608 [0,1,0,1,0,0|1,0,1]=4 374 B10R1.1 NC1CCC(CCO)CC1 A47170 [0,1,0,1,0,0|0,0,2]=4 375 B10R1.1 N[C@H]1CC[C@H](CCO)CC1 A0878 [0,1,0,1,0,0|0,0,2]=4 376 B10R1.15 CC[C@H](N)C1CCCCC1 C52215 [0,1,0,1,0,0|1,0,1]=4 377 B10R1.15 N[C@H](CO)C1CCCCC1 A47172 [0,1,0,1,0,0|0,0,2]=4 378 B10R1.149 COC(=O)[C@@H]1CCCC1=O M11030 [0,1,0,1,0,0|1,0,1]=4 379 B10R2.178 O=C1CCC2CCC1N2 A14807 [0,0,0,2,0,0|1,0,0]=3 380 B10R2.178 O=C1CCC2CCC1N2 A60094 [0,0,0,2,0,0|1,0,0]=3 381 B10R2.178 O=C1NCC2CCC1C2 A43770 [0,0,0,2,0,0|1,0,0]=3 382 B10R2.178 O=C1NCC2CCC1N2 D13376 [0,0,0,2,0,0|2,0,0]=4 383 B10R2.178 O=C1NCC2CCC1O2 X6210 [0,0,0,2,0,0|2,0,0]=4 384 B10R2.6 C1CC[C@@H](C2CC2)NC1 C49561 [0,0,0,2,0,0|1,0,1]=4 385 B10R2.7 C1CCC2CNCC2C1 X47109 [0,0,0,2,0,0|1,0,1]=4 386 B10R2.7 C1CC[C@H]2CNC[C@H]2C1 X49562 [0,0,0,2,0,0|1,0,1]=4 387 B10R2.7 C1CC[C@H]2CNC[C@H]2C1 X6365 [0,0,0,2,0,0|1,0,1]=4 388 B10R2.62 O=C1CN2CCC1CC2 A17311 [0,0,0,2,0,0|1,0,0]=3 389 B10R2.62 O=C1NC2CCC1CC2 A11449 [0,0,0,2,0,0|1,0,0]=3 390 B10R2.62 O[C@H]1CC2CCC1CC2 B47081 [0,0,0,2,0,0|0,0,2]=4 391 B10R2.408 C1CC2CCCC(C1)N2 A8032 [0,0,0,2,0,0|1,0,1]=4 392 B10R2.484 C1CCC2(CC1)CCN2 A14690 [0,0,0,2,0,0|1,0,1]=4 393 B10R2.484 C1CCC2(CC1)CNC2 A15579 [0,0,0,2,0,0|2,0,0]=4 394 B10R2.484 C1CCC2(CCC2)NC1 A10149 [0,0,0,2,0,0|1,0,1]=4 395 B10R2.484 C1CCC2(CCC2)NC1 A8607 [0,0,0,2,0,0|1,0,1]=4 396 B10R2.484 C1CNCC2(C1)CCC2 A7183 [0,0,0,2,0,0|2,0,0]=4 397 B10R2.32 O=C1CCC2CNCC12 H15275 [0,0,0,2,0,0|1,0,0]=3 398 B10R2.32 O=C1NC[C@@H]2CCN[C@H]12 H11258 [0,0,0,2,0,0|2,0,0]=4 399 B10R2.32 O=C1NC[C@H]2CNC[C@@H]12 X59902 [0,0,0,2,0,0|2,0,0]=4 400 B10R2.483 C1CCC2(C1)CCNC2 A15577 [0,0,0,2,0,0|2,0,0]=4 401 B10R2.483 C1CCC2(C1)CCNC2 A20259 [0,0,0,2,0,0|2,0,0]=4 402 B10R2.15 O=C1CCNCC12CC2 A60009 [0,0,0,2,0,0|1,0,0]=3 403 B10R2.15 O=C1CNCCC12CC2 X14882 [0,0,0,2,0,0|1,0,0]=3 404 B10R2.41 CN1C2C=CCC1CC2 M47051 [0,0,0,2,0,0|2,0,0]=4 405 B10R2.41 O=C1C2CCC1CNC2 O8022 [0,0,0,2,0,0|1,0,0]=3 406 B10R2.41 O=C1C2CNCC1OC2 X14894 [0,0,0,2,0,0|2,0,0]=4 407 B10R2.109 C=CC1CCC2OC2C1 V68592 [0,0,0,2,0,0|2,0,0]=4 408 B10R2.190 O=C1NCCC12CCC2 A43768 [0,0,0,2,0,0|1,0,0]=3 409 B10R2.190 O=C1NCCC12CNC2 D17421 [0,0,0,2,0,0|2,0,0]=4 410 B10R2.190 O=C1NCCC12CNC2 D30082 [0,0,0,2,0,0|2,0,0]=4 411 B10R2.2 NN1CC2CCCC2C1 H46497 [0,0,0,2,0,0|2,0,0]=4 412 B10R2.2 O=C1CC2CNCC2C1 O18313 [0,0,0,2,0,0|1,0,0]=3 413 B10R2.2 O=C1CC2CSCC2C1 H20144 [0,0,0,2,0,0|1,0,0]=3 414 B10R2.2 O=C1C[C@@H]2COC[C@@H]2C1 H59788 [0,0,0,2,0,0|1,0,0]=3 415 B10R2.2 O=C1C[C@H]2COC[C@@H]2C1 H59783 [0,0,0,2,0,0|1,0,0]=3