0 B11R0.148 NCCCCCCCCC(=O)O A50593 [0,0,0,0,0,0|1,0,0]=1 1 B11R0.148 O=C(O)CCCCCCCCBr B38107 [0,0,0,0,0,0|1,0,0]=1 2 B11R0.148 O=C(O)CCCCCCCCO H68316 [0,0,0,0,0,0|1,0,0]=1 3 B11R0.148 O=C(O)CCOCCOCCBr B43867 [0,0,0,0,0,0|3,0,0]=3 4 B10R0.4 CCCCCCCCB(O)O O4860 [1,0,0,0,0,0|1,0,1]=3 5 B10R0.4 CCCCCCCCC(C)=O D53335 [1,0,0,0,0,0|1,0,0]=2 6 B10R0.4 NCCCCCCCC(=O)O A69217 [1,0,0,0,0,0|1,0,0]=2 7 B10R0.4 NCCOCCOCC(=O)O A41596 [1,0,0,0,0,0|3,0,0]=4 8 B10R0.4 NCCOCCOCC(=O)O A43505 [1,0,0,0,0,0|3,0,0]=4 9 B10R0.4 O=C(O)CCCCCCCBr B47140 [1,0,0,0,0,0|1,0,0]=2 10 B10R0.4 O=C(O)COCCOCCCl C61801 [1,0,0,0,0,0|3,0,0]=4 11 B10R0.4 [N-]=[N+]=NCCCCCC(=O)O A1945 [1,0,0,0,0,0|3,0,0]=4 12 B10R0.71 BrCCCCCCCCCBr D50565 [1,0,0,0,0,0|2,0,1]=4 13 B10R0.71 C=CCCCCCCCCBr B53284 [1,0,0,0,0,0|2,0,0]=3 14 B10R0.71 CCCCCCCCN=[N+]=[N-] A1810 [1,0,0,0,0,0|3,0,0]=4 15 B10R0.71 ClCCCCCCCCCCl D50566 [1,0,0,0,0,0|2,0,1]=4 16 B10R0.71 OCCCCCCCCCBr B50608 [1,0,0,0,0,0|1,0,1]=3 17 B10R0.71 OCCOCCCCCCCl C61799 [1,0,0,0,0,0|2,0,1]=4 18 B12R0.184 COC(=O)CCCCCCC(=O)O M50518 [0,1,0,0,0,0|1,0,1]=3 19 B12R0.234 CCCCCCCCCCB(O)O D53367 [0,1,0,0,0,0|1,0,1]=3 20 B12R0.234 COCCOCCOCCC(=O)O M47163 [0,1,0,0,0,0|2,0,0]=3 21 B12R0.234 NCCCCCCCCCC(=O)O A53349 [0,1,0,0,0,0|0,0,0]=1 22 B12R0.234 O=C(O)CCCCCCCCCBr B53316 [0,1,0,0,0,0|0,0,0]=1 23 B12R0.248 CCCCCCCCCC(=O)OC M55143 [0,1,0,0,0,0|0,0,0]=1 24 B12R0.251 CCCCCCCC[C@H](N)C(=O)O A53348 [0,1,0,0,0,0|0,0,0]=1 25 B12R0.277 CCOC(=O)CCCCCC(=O)O E50517 [0,1,0,0,0,0|1,0,1]=3 26 B12R1.386 N#CCCN1CCC[C@H]1C(=O)O C61363 [0,0,0,1,0,0|2,0,1]=4 27 B9R0.2 CCCCCCCB(O)O H43957 [2,0,0,0,0,0|1,0,1]=4 28 B9R0.2 NCCCCCCC(=O)O A46516 [2,0,0,0,0,0|1,0,0]=3 29 B9R0.2 NCCCCCCC(=O)O A67452 [2,0,0,0,0,0|1,0,0]=3 30 B9R0.2 O=C(O)CCCCCCBr B43862 [2,0,0,0,0,0|1,0,0]=3 31 B9R0.2 O=C(O)CCCCCCO H36659 [2,0,0,0,0,0|1,0,0]=3 32 B9R0.45 BrCCCCCCCCBr D60579 [2,0,0,0,0,0|2,0,0]=4 33 B9R0.45 C#CCCCCCCCO N50499 [2,0,0,0,0,0|0,0,2]=4 34 B9R0.45 C=CCCCCCCCCl C50527 [2,0,0,0,0,0|1,0,1]=4 35 B9R0.45 CCCCCCCCC[Mg+] N31713 [2,0,0,0,0,0|1,0,0]=3 36 B9R0.45 CCCCCCCCNC M50621 [2,0,0,0,0,0|1,0,1]=4 37 B9R0.45 CCCCCCCNCC E50620 [2,0,0,0,0,0|1,0,1]=4 38 B9R0.45 OCCCCCCCCBr B47189 [2,0,0,0,0,0|1,0,0]=3 39 B9R0.45 OCCCCCCCCCl C47190 [2,0,0,0,0,0|1,0,0]=3 40 B9R0.45 OCCCCCCCCO X39448 [2,0,0,0,0,0|1,0,0]=3 41 B11R0.30 CC(=O)CCCCCCC(C)=O D53269 [1,1,0,0,0,0|1,0,1]=4 42 B11R0.40 CCCCCCC=CC(=O)OC M39622 [1,1,0,0,0,0|0,0,2]=4 43 B11R0.42 C=CCCCCC[C@@H](N)C(=O)O A66071 [1,1,0,0,0,0|0,0,2]=4 44 B11R0.42 C=CCCCCC[C@H](N)C(=O)O A50531 [1,1,0,0,0,0|0,0,2]=4 45 B11R0.46 CCCCC[C@H](C)CCC(=O)O M53337 [1,1,0,0,0,0|0,0,0]=2 46 B11R0.111 COC(=O)CCCCCC(=O)O M6367 [1,1,0,0,0,0|1,0,1]=4 47 B11R0.159 CCCCCCCCS(=O)(=O)[O-] S68161 [1,1,0,0,0,0|1,0,1]=4 48 B11R0.3 BrCCCCCCCCCCBr D39629 [1,1,0,0,0,0|1,0,1]=4 49 B11R0.3 C=CCCCCCCCCCBr B55096 [1,1,0,0,0,0|1,0,0]=3 50 B11R0.3 C=CCCCCCCCCCC D56327 [1,1,0,0,0,0|1,0,0]=3 51 B11R0.3 C=CCCCCCCCCCO U55141 [1,1,0,0,0,0|1,0,0]=3 52 B11R0.3 CCCCCCCCCCCO U67607 [1,1,0,0,0,0|0,0,1]=3 53 B11R0.3 ClCCCCCCCCCCCl D39630 [1,1,0,0,0,0|1,0,1]=4 54 B11R0.3 OCCCCCCCCCCBr B53359 [1,1,0,0,0,0|0,0,1]=3 55 B13R0.201 COC(=O)CCCCCCC(=O)OC D39626 [0,2,0,0,0,0|1,0,1]=4 56 B13R0.204 CCC(=O)NCCCC[C@H](N)C(=O)O P63610 [0,2,0,0,0,0|1,0,1]=4 57 B13R0.54 O=C(O)CCCCCCCCCCBr B39661 [0,2,0,0,0,0|0,0,0]=2 58 B13R0.54 O=C(O)CCCCCCCCCCS M31896 [0,2,0,0,0,0|0,0,0]=2 59 B13R0.147 CCCCCCCCCCC(=O)OC M56343 [0,2,0,0,0,0|0,0,0]=2 60 B13R0.179 O=C(O)CCCCCCCCC(=O)O A53217 [0,2,0,0,0,0|0,0,1]=3 61 B13R0.2 CCCCCCCCOC(=O)CC#N X55039 [0,2,0,0,0,0|2,0,0]=4 62 B13R0.413 C=CCCCCCC[C@@](C)(N)C(=O)O A63598 [0,2,0,0,0,0|0,0,2]=4 63 B11R1.91 O=C(O)CCC1CCCCC1 C39553 [1,0,0,1,0,0|0,0,0]=2 64 B11R1.91 O=C(O)CCC1CCNCC1 P60724 [1,0,0,1,0,0|1,0,0]=3 65 B11R1.91 O=C(O)CCN1CCOCC1 M43855 [1,0,0,1,0,0|2,0,0]=4 66 B11R1.91 O=C(O)\C=C\C1CCCCC1 C9422 [1,0,0,1,0,0|0,0,2]=4 67 B13R1.513 CN1CCN(CCCC(=O)O)CC1 M50571 [0,1,0,1,0,0|2,0,0]=4 68 B13R1.547 COC(=O)C1CCCCC1C(=O)O C67366 [0,1,0,1,0,0|1,0,1]=4 69 B13R1.547 COC(=O)C1CCCCC1C(=O)O M50447 [0,1,0,1,0,0|1,0,1]=4 70 B13R1.6 CCCCCC[C@H]1CCCC(=O)O1 H55090 [0,1,0,1,0,0|0,0,0]=2 71 B13R1.351 N[C@@H](CCC1CCCCC1)C(=O)O A53289 [0,1,0,1,0,0|0,0,0]=2 72 B13R1.351 N[C@H](CCC1CCCCC1)C(=O)O A53288 [0,1,0,1,0,0|0,0,0]=2 73 B13R2.11128 O=C1CCCC2(CCNCC2)N1 D13940 [0,0,0,2,0,0|2,0,0]=4 74 B13R2.11128 O=C1CCCC2(CCNCC2)N1 D16941 [0,0,0,2,0,0|2,0,0]=4 75 B13R2.11128 O=C1NCCC2(CCNCC2)O1 X49556 [0,0,0,2,0,0|2,0,0]=4 76 B13R2.435 O=C(O)C1CC2CCCCC2N1 X50467 [0,0,0,2,0,0|1,0,0]=3 77 B13R2.435 O=C(O)C1C[C@@H]2CCCC[C@@H]2N1 X50469 [0,0,0,2,0,0|1,0,0]=3 78 B13R2.435 O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1 X64442 [0,0,0,2,0,0|1,0,0]=3 79 B13R2.435 O=C(O)[C@H]1C[C@@H]2CCCC[C@@H]2N1 X38012 [0,0,0,2,0,0|1,0,0]=3 80 B13R2.14125 O=C(O)CC12CCCN1CCC2 T11267 [0,0,0,2,0,0|1,0,0]=3 81 B13R2.14125 O=C(O)CC12CCCN1CCC2 T15669 [0,0,0,2,0,0|1,0,0]=3 82 B13R2.5574 O=C(O)[C@@H]1CCCN1CC2CC2 C50470 [0,0,0,2,0,0|1,0,0]=3