0 B11R0.30 CC(=O)CCCCNCC(=O)O 269956a_100016091260_100000735457 [0,0,0,0,0,0|2,0,2]=4 1 B11R0.30 CC(=O)CCCNOCC(=O)O 269956a_100000106656_100011215641 [0,0,0,0,0,0|3,0,1]=4 2 B11R0.30 CC(=O)CCCOCCC(=O)C 34a_100000759926_100000685027 [0,0,0,0,0,0|3,0,1]=4 3 B11R0.30 CC(=O)CCCOCCC(=O)C 7a_100000759063_100000053229 [0,0,0,0,0,0|3,0,1]=4 4 B11R0.30 CC(=O)CCCOCCC(=O)C 7a_100000759926_100011215641 [0,0,0,0,0,0|3,0,1]=4 5 B11R0.30 CC(=O)CCCOCCC(=O)N 34a_100000757172_100000685027 [0,0,0,0,0,0|3,0,1]=4 6 B11R0.30 CC(=O)CCCOCCC(=O)N 34a_100000759063_100000731001 [0,0,0,0,0,0|3,0,1]=4 7 B11R0.30 CC(=O)CCCOCCC(=O)N 7a_100000757172_100011215641 [0,0,0,0,0,0|3,0,1]=4 8 B11R0.30 CC(=O)CCCOCCC(=O)N 7a_100000759063_100000744528 [0,0,0,0,0,0|3,0,1]=4 9 B11R0.30 CC(=O)CCCSCCC(=O)C 62a_100000053229_100011215641 [0,0,0,0,0,0|3,0,1]=4 10 B11R0.30 CC(=O)CCCSCCC(=O)C 62a_100011215641_100000053229 [0,0,0,0,0,0|3,0,1]=4 11 B11R0.30 CC(=O)CCCSCCC(=O)N 62a_100000744528_100011215641 [0,0,0,0,0,0|3,0,1]=4 12 B11R0.30 CC(=O)CCCSCCC(=O)N 62a_100011215641_100000744528 [0,0,0,0,0,0|3,0,1]=4 13 B11R0.30 CC(=O)CCOCCCC(=O)N 34a_100000759926_100102525003 [0,0,0,0,0,0|3,0,1]=4 14 B11R0.30 CC(=O)CCOCCCC(=O)N 7a_100000759926_100102525003 [0,0,0,0,0,0|3,0,1]=4 15 B11R0.30 CC(=O)CCSCCCC(=O)N 62a_100000053229_100102525003 [0,0,0,0,0,0|3,0,1]=4 16 B11R0.30 CC(=O)CCSCCCC(=O)N 62a_100102525003_100000053229 [0,0,0,0,0,0|3,0,1]=4 17 B11R0.30 NC(=O)CCCNCCC(=O)N 34a_100000739312_100000731001 [0,0,0,0,0,0|3,0,1]=4 18 B11R0.30 NC(=O)CCCNOCC(=O)O 269956a_100000106656_100102525003 [0,0,0,0,0,0|3,0,1]=4 19 B11R0.30 NC(=O)CCCOCCC(=O)N 34a_100000757172_100102525003 [0,0,0,0,0,0|3,0,1]=4 20 B11R0.30 NC(=O)CCCOCCC(=O)N 7a_100000757172_100102525003 [0,0,0,0,0,0|3,0,1]=4 21 B11R0.30 NC(=O)CCCSCCC(=O)N 62a_100000744528_100102525003 [0,0,0,0,0,0|3,0,1]=4 22 B11R0.30 NC(=O)CCCSCCC(=O)N 62a_100102525003_100000744528 [0,0,0,0,0,0|3,0,1]=4 23 B10R0.4 CC(=O)CCOCCCC=O 7a_100000759926_200011292268 [1,0,0,0,0,0|2,0,1]=4 24 B10R0.4 CC(=O)CCSCCCC=O 62a_100000053229_200011292268 [1,0,0,0,0,0|2,0,1]=4 25 B10R0.4 CC(=O)CCSCCCC=O 62a_200011292268_100000053229 [1,0,0,0,0,0|2,0,1]=4 26 B10R0.4 NC(=O)CCOCCCC=O 7a_100000757172_200011292268 [1,0,0,0,0,0|2,0,1]=4 27 B10R0.4 NC(=O)CCSCCCC=O 62a_100000744528_200011292268 [1,0,0,0,0,0|2,0,1]=4 28 B10R0.4 NC(=O)CCSCCCC=O 62a_200011292268_100000744528 [1,0,0,0,0,0|2,0,1]=4 29 B10R0.4 O=CCCCCNCC(=O)O 269956a_100016091260_100000139335 [1,0,0,0,0,0|1,0,2]=4 30 B10R0.4 O=CCCCNOCC(=O)O 269956a_100000106656_200011292268 [1,0,0,0,0,0|2,0,1]=4 31 B12R0.42 CC(=O)CCCNCC(C)C(=O)O 269956a_100000749485_100011215641 [0,1,0,0,0,0|2,0,1]=4 32 B12R0.42 CC(=O)CCCNCC(F)C(=O)O 269956a_100000084737_100011215641 [0,1,0,0,0,0|2,0,1]=4 33 B12R0.42 CC(CNCCCC(=O)N)C(=O)O 269956a_100000749485_100102525003 [0,1,0,0,0,0|2,0,1]=4 34 B12R0.42 NC(=O)CCCNCC(F)C(=O)O 269956a_100000084737_100102525003 [0,1,0,0,0,0|2,0,1]=4 35 B12R0.44 CC(=O)CCCC(=O)CCC(=O)N 1458a_100011215257_100011215641 [0,1,0,0,0,0|2,0,1]=4 36 B12R0.44 CC(=O)CCN(C)CCCC(=O)O 269956a_100000719178_100000053229 [0,1,0,0,0,0|2,0,1]=4 37 B12R0.44 CN(CCCC(=O)O)CCC(=O)N 269956a_100000719178_100000744528 [0,1,0,0,0,0|2,0,1]=4 38 B12R0.44 NC(=O)CCCC(=O)CCC(=O)N 1458a_100011215257_100102525003 [0,1,0,0,0,0|2,0,1]=4 39 B12R0.44 NC(=O)CCNC(=O)CCC(=O)N 240690a_100000740010_100011215257 [0,1,0,0,0,0|3,0,0]=4 40 B12R0.44 NC(=O)CCNC(=O)CCC(=O)N 527a_100000740010_100011215257 [0,1,0,0,0,0|3,0,0]=4 41 B12R0.184 COC(=O)CCCCCCC(=O)C 1458a_100000036694_200000210301 [0,1,0,0,0,0|1,0,2]=4 42 B12R0.184 COC(=O)CCCCCCC(=O)C 1458a_100000070787_100009815986 [0,1,0,0,0,0|1,0,2]=4 43 B12R0.184 COC(=O)CCCCCCC(=O)[13CH3] 1458a_100000036694_200025704644 [0,1,0,0,0,0|1,0,2]=4 44 B12R0.184 COC(=O)CCCCNCC(=O)O 269956a_100016091260_100000204269 [0,1,0,0,0,0|1,0,2]=4 45 B12R0.184 COC(=O)CCCNOCC(=O)O 269956a_100000106656_100011218270 [0,1,0,0,0,0|2,0,1]=4 46 B12R0.184 COC(=O)CCCOCCC(=O)C 34a_100000759926_100000742333 [0,1,0,0,0,0|2,0,1]=4 47 B12R0.184 COC(=O)CCCOCCC(=O)C 7a_100000759926_100011218270 [0,1,0,0,0,0|2,0,1]=4 48 B12R0.184 COC(=O)CCCOCCC(=O)N 34a_100000757172_100000742333 [0,1,0,0,0,0|2,0,1]=4 49 B12R0.184 COC(=O)CCCOCCC(=O)N 7a_100000757172_100011218270 [0,1,0,0,0,0|2,0,1]=4 50 B12R0.184 COC(=O)CCCSCCC(=O)C 62a_100000053229_100011218270 [0,1,0,0,0,0|2,0,1]=4 51 B12R0.184 COC(=O)CCCSCCC(=O)C 62a_100011218270_100000053229 [0,1,0,0,0,0|2,0,1]=4 52 B12R0.184 COC(=O)CCCSCCC(=O)N 62a_100000744528_100011218270 [0,1,0,0,0,0|2,0,1]=4 53 B12R0.184 COC(=O)CCCSCCC(=O)N 62a_100011218270_100000744528 [0,1,0,0,0,0|2,0,1]=4 54 B12R0.184 COC(=O)CCNCCCC(=O)N 34a_100000739312_100000742370 [0,1,0,0,0,0|2,0,1]=4 55 B12R0.184 COC(=O)CCOCCCC(=O)C 34a_100000759063_100000742370 [0,1,0,0,0,0|2,0,1]=4 56 B12R0.184 COC(=O)CCOCCCC(=O)C 7a_100000759063_100000204255 [0,1,0,0,0,0|2,0,1]=4 57 B12R0.184 COC(=O)CCSCCCC(=O)C 62a_100000204255_100011215641 [0,1,0,0,0,0|2,0,1]=4 58 B12R0.184 COC(=O)CCSCCCC(=O)C 62a_100011215641_100000204255 [0,1,0,0,0,0|2,0,1]=4 59 B12R0.184 COC(=O)CCSCCCC(=O)N 62a_100000204255_100102525003 [0,1,0,0,0,0|2,0,1]=4 60 B12R0.184 COC(=O)CCSCCCC(=O)N 62a_100102525003_100000204255 [0,1,0,0,0,0|2,0,1]=4 61 B12R0.270 CC(=O)CCNCC(O)CC(=O)O 269956a_100011218706_100000053229 [0,1,0,0,0,0|2,0,1]=4 62 B12R0.270 NC(=O)CCNCC(O)CC(=O)O 269956a_100011218706_100000744528 [0,1,0,0,0,0|2,0,1]=4 63 B12R1.1804 CC(=O)CCN1CCC1C(=O)O 269956a_100000021838_100000053229 [0,0,0,1,0,0|2,0,1]=4 64 B12R1.1804 NC(=O)CCN1CCC1C(=O)O 269956a_100000021838_100000744528 [0,0,0,1,0,0|2,0,1]=4 65 B10R0.97 CC(=O)CCCCCC(=O)N 1458a_100000070787_100009817443 [0,0,0,0,1,0|2,0,1]=4 66 B10R0.97 CC(=O)CCCNCC(=O)O 269956a_100016091260_100011215641 [0,0,0,0,1,0|2,0,1]=4 67 B10R0.97 CC(=O)CCNOCC(=O)O 269956a_100000106656_100000053229 [0,0,0,0,1,0|3,0,0]=4 68 B10R0.97 CC(=O)CCOCCC(=O)C 7a_100000759926_100000053229 [0,0,0,0,1,0|3,0,0]=4 69 B10R0.97 CC(=O)CCOCCC(=O)N 34a_100000759926_100000731001 [0,0,0,0,1,0|3,0,0]=4 70 B10R0.97 CC(=O)CCOCCC(=O)N 7a_100000757172_100000053229 [0,0,0,0,1,0|3,0,0]=4 71 B10R0.97 CC(=O)CCOCCC(=O)N 7a_100000759926_100000744528 [0,0,0,0,1,0|3,0,0]=4 72 B10R0.97 CC(=O)CCSCCC(=O)C 62a_100000053229_100000053229 [0,0,0,0,1,0|3,0,0]=4 73 B10R0.97 CC(=O)CCSCCC(=O)N 62a_100000053229_100000744528 [0,0,0,0,1,0|3,0,0]=4 74 B10R0.97 CC(=O)CCSCCC(=O)N 62a_100000744528_100000053229 [0,0,0,0,1,0|3,0,0]=4 75 B10R0.97 NC(=O)CCCNCC(=O)O 269956a_100016091260_100102525003 [0,0,0,0,1,0|2,0,1]=4 76 B10R0.97 NC(=O)CCNOCC(=O)O 269956a_100000106656_100000744528 [0,0,0,0,1,0|3,0,0]=4 77 B10R0.97 NC(=O)CCOCCC(=O)N 34a_100000757172_100000731001 [0,0,0,0,1,0|3,0,0]=4 78 B10R0.97 NC(=O)CCOCCC(=O)N 7a_100000757172_100000744528 [0,0,0,0,1,0|3,0,0]=4 79 B10R0.97 NC(=O)CCSCCC(=O)N 62a_100000744528_100000744528 [0,0,0,0,1,0|3,0,0]=4 80 B12R0.268 CC(=O)CCNCCOCC(=O)O 269956a_100000700818_100000053229 [0,0,0,0,0,1|2,0,1]=4 81 B12R0.268 NC(=O)CCCCCNCC(=O)O 269956a_100016091260_100009817443 [0,0,0,0,0,1|1,0,2]=4 82 B12R0.268 NC(=O)CCNCCOCC(=O)O 269956a_100000700818_100000744528 [0,0,0,0,0,1|2,0,1]=4 83 B9R0.2 O=CCCCNCC(=O)O 269956a_100016091260_200011292268 [2,0,0,0,0,0|1,0,1]=4 84 B11R0.40 COC(=O)CCSCCCC=O 62a_100000204255_200011292268 [1,1,0,0,0,0|1,0,1]=4 85 B11R0.40 COC(=O)CCSCCCC=O 62a_200011292268_100000204255 [1,1,0,0,0,0|1,0,1]=4 86 B11R0.42 CC(CNCCCC=O)C(=O)O 269956a_100000749485_200011292268 [1,1,0,0,0,0|1,0,1]=4 87 B11R0.42 O=CCCCNCC(F)C(=O)O 269956a_100000084737_200011292268 [1,1,0,0,0,0|1,0,1]=4 88 B11R0.148 O=CCCCCCNCC(=O)O 269956a_100016091260_100000139337 [1,1,0,0,0,0|0,0,2]=4 89 B11R0.29 CC(=O)CCNCC(C)C(=O)O 269956a_100000749485_100000053229 [0,1,0,0,1,0|2,0,0]=4 90 B11R0.29 CC(=O)CCNCC(F)C(=O)O 269956a_100000084737_100000053229 [0,1,0,0,1,0|2,0,0]=4 91 B11R0.29 CC(CNCCC(=O)N)C(=O)O 269956a_100000749485_100000744528 [0,1,0,0,1,0|2,0,0]=4 92 B11R0.29 NC(=O)CCNCC(F)C(=O)O 269956a_100000084737_100000744528 [0,1,0,0,1,0|2,0,0]=4 93 B13R0.202 COC(=O)CCCCCNCC(=O)O 269956a_100016091260_100009816466 [0,1,0,0,0,1|0,0,2]=4 94 B13R0.202 COC(=O)CCNCCOCC(=O)O 269956a_100000700818_100000204255 [0,1,0,0,0,1|1,0,1]=4 95 B13R0.204 COC(=O)CCCNCC(C)C(=O)O 269956a_100000749485_100011218270 [0,2,0,0,0,0|1,0,1]=4 96 B13R0.204 COC(=O)CCCNCC(F)C(=O)O 269956a_100000084737_100011218270 [0,2,0,0,0,0|1,0,1]=4 97 B13R0.208 COC(=O)CCCC(=O)CCC(=O)N 1458a_100011215257_100011218270 [0,2,0,0,0,0|1,0,1]=4 98 B13R0.493 COC(=O)CCC(=O)CCCC(=O)C 1458a_100000187943_100011215641 [0,2,0,0,0,0|1,0,1]=4 99 B13R0.493 COC(=O)CCC(=O)CCCC(=O)N 1458a_100000187943_100102525003 [0,2,0,0,0,0|1,0,1]=4 100 B13R0.493 COC(=O)CCC(=O)CNCC(=O)O 269956a_100016091260_100000691467 [0,2,0,0,0,0|1,0,1]=4 101 B13R0.493 COC(=O)CCC(=O)NCCC(=O)N 11a_100000740010_100000187943 [0,2,0,0,0,0|2,0,0]=4 102 B13R0.493 COC(=O)CCC(=O)NCCC(=O)N 240690a_100000740010_100000187943 [0,2,0,0,0,0|2,0,0]=4 103 B13R0.493 COC(=O)CCC(=O)NCCC(=O)N 527a_100000740010_100000187943 [0,2,0,0,0,0|2,0,0]=4 104 B13R0.493 COC(=O)CCN(C)CCCC(=O)O 269956a_100000719178_100000204255 [0,2,0,0,0,0|1,0,1]=4 105 B13R0.198 COC(=O)CCNCC(O)CC(=O)O 269956a_100011218706_100000204255 [0,2,0,0,0,0|1,0,1]=4 106 B13R0.201 COC(=O)CCCCCCC(=O)CO 1458a_100000210174_100009815986 [0,2,0,0,0,0|0,0,2]=4 107 B13R0.201 COC(=O)CCCSCCC(=O)OC 62a_100000204255_100011218270 [0,2,0,0,0,0|1,0,1]=4 108 B13R0.201 COC(=O)CCCSCCC(=O)OC 62a_100011218270_100000204255 [0,2,0,0,0,0|1,0,1]=4 109 B13R1.589 CC(=O)N[C@@H]1CC=CC[C@H]1C(=O)N 1626a_100032748912_100015343762 [0,0,0,1,0,1|2,0,0]=4 110 B13R1.589 CC(=O)N[C@@H]1CC=CC[C@H]1C(=O)N 240690a_100032748912_100015343762 [0,0,0,1,0,1|2,0,0]=4 111 B13R1.547 COC(=O)[C@H]1CC=CC[C@H]1C(=O)C 1458a_100015907524_200000210301 [0,1,0,1,0,0|1,0,0]=3 112 B13R1.547 COC(=O)[C@H]1CC=CC[C@H]1C(=O)[13CH3] 1458a_100015907524_200025704644 [0,1,0,1,0,0|1,0,0]=3 113 B13R1.1721 COC(=O)CCN1CCC1C(=O)O 269956a_100000021838_100000204255 [0,1,0,1,0,0|1,0,1]=4 114 B9R0.55 CC(=O)CCCCC(=O)C 1458a_100000070787_100000735457 [0,0,0,0,2,0|2,0,0]=4 115 B9R0.55 CC(=O)CCNCC(=O)O 269956a_100016091260_100000053229 [0,0,0,0,2,0|2,0,0]=4 116 B9R0.55 NC(=O)CCNCC(=O)O 269956a_100016091260_100000744528 [0,0,0,0,2,0|2,0,0]=4