0 B11R0.176 CC(=O)CCCCC(=O)CCO 1458a_100011216618_100000735457 [0,0,0,0,0,0|1,2,1]=4 1 B11R0.176 CC(=O)CCCCN(C)CCO 269982a_100000210263_100000735457 [0,0,0,0,0,0|3,1,0]=4 2 B11R0.176 CC(=O)CCCN[C@H](C)CCO 34a_100000706166_100000685027 [0,0,0,0,0,0|3,1,0]=4 3 B11R0.176 CC(=O)CCCOC(C)CCBr 34a_100012276601_100000685027 [0,0,0,0,0,0|4,0,0]=4 4 B11R0.176 CC(=O)CCCOC(C)CCO 34a_100000759063_100009893172 [0,0,0,0,0,0|3,1,0]=4 5 B11R0.176 CC(=O)CCCOC(C)CCO 7a_100000759063_100009893172 [0,0,0,0,0,0|3,1,0]=4 6 B11R0.176 CC(=O)CCCSC(C)CCO 62a_100009893172_100011215641 [0,0,0,0,0,0|3,1,0]=4 7 B11R0.176 CC(=O)CCCSC(C)CCO 62a_100011215641_100009893172 [0,0,0,0,0,0|3,1,0]=4 8 B11R0.176 CC(CCBr)OCCCC(=O)N 34a_100012276601_100102525003 [0,0,0,0,0,0|4,0,0]=4 9 B11R0.176 CC(CCN)COCCC(=O)N 34a_106354213184_100000731001 [0,0,0,0,0,0|4,0,0]=4 10 B11R0.176 CC(CCO)NCCCC(=O)N 34a_100000739312_100009893172 [0,0,0,0,0,0|3,1,0]=4 11 B11R0.176 CC(CCO)SCCCC(=O)N 62a_100009893172_100102525003 [0,0,0,0,0,0|3,1,0]=4 12 B11R0.176 CC(CCO)SCCCC(=O)N 62a_100102525003_100009893172 [0,0,0,0,0,0|3,1,0]=4 13 B11R0.176 CCCC(=O)CCCCC(=O)C 1458a_100000211992_100000735457 [0,0,0,0,0,0|2,1,1]=4 14 B11R0.176 CCCC(C)CCOCC(=O)N 34a_100011217855_100000187820 [0,0,0,0,0,0|4,0,0]=4 15 B11R0.176 CCCC(C)CCOCC(=O)N 7a_100011217855_100000187820 [0,0,0,0,0,0|4,0,0]=4 16 B11R0.176 CCCC(C)CCOCC(=O)[O-] 34a_100011217855_100020667443 [0,0,0,0,0,0|3,0,1]=4 17 B11R0.176 CCCC(C)CNOCC(=O)O 269956a_100000106656_100011216630 [0,0,0,0,0,0|4,0,0]=4 18 B11R0.176 CCCC(C)COCCC(=O)C 34a_100000759926_100011216630 [0,0,0,0,0,0|4,0,0]=4 19 B11R0.176 CCCC(C)COCCC(=O)C 7a_100000688023_100000053229 [0,0,0,0,0,0|4,0,0]=4 20 B11R0.176 CCCC(C)COCCC(=O)C 7a_100000759926_100011216630 [0,0,0,0,0,0|4,0,0]=4 21 B11R0.176 CCCC(C)COCCC(=O)N 34a_100000688023_100000731001 [0,0,0,0,0,0|4,0,0]=4 22 B11R0.176 CCCC(C)COCCC(=O)N 34a_100000757172_100011216630 [0,0,0,0,0,0|4,0,0]=4 23 B11R0.176 CCCC(C)COCCC(=O)N 7a_100000688023_100000744528 [0,0,0,0,0,0|4,0,0]=4 24 B11R0.176 CCCC(C)COCCC(=O)N 7a_100000757172_100011216630 [0,0,0,0,0,0|4,0,0]=4 25 B11R0.176 CCCC(C)CSCCC(=O)C 62a_100000053229_100011216630 [0,0,0,0,0,0|4,0,0]=4 26 B11R0.176 CCCC(C)CSCCC(=O)C 62a_100011216630_100000053229 [0,0,0,0,0,0|4,0,0]=4 27 B11R0.176 CCCC(C)CSCCC(=O)N 62a_100000744528_100011216630 [0,0,0,0,0,0|4,0,0]=4 28 B11R0.176 CCCC(C)CSCCC(=O)N 62a_100011216630_100000744528 [0,0,0,0,0,0|4,0,0]=4 29 B11R0.176 CCCC(C)NCCCC(=O)N 34a_100000739312_100000766640 [0,0,0,0,0,0|4,0,0]=4 30 B11R0.176 CCCC(C)OCCCC(=O)C 34a_100000759063_100000766640 [0,0,0,0,0,0|4,0,0]=4 31 B11R0.176 CCCC(C)OCCCC(=O)C 34a_100000764384_100000685027 [0,0,0,0,0,0|4,0,0]=4 32 B11R0.176 CCCC(C)OCCCC(=O)C 7a_100000759063_100000766640 [0,0,0,0,0,0|4,0,0]=4 33 B11R0.176 CCCC(C)OCCCC(=O)C 7a_100000764384_100011215641 [0,0,0,0,0,0|4,0,0]=4 34 B11R0.176 CCCC(C)OCCCC(=O)N 34a_100000764384_100102525003 [0,0,0,0,0,0|4,0,0]=4 35 B11R0.176 CCCC(C)OCCCC(=O)N 7a_100000764384_100102525003 [0,0,0,0,0,0|4,0,0]=4 36 B11R0.176 CCCC(C)SCCCC(=O)C 62a_100000766640_100011215641 [0,0,0,0,0,0|4,0,0]=4 37 B11R0.176 CCCC(C)SCCCC(=O)C 62a_100011215641_100000766640 [0,0,0,0,0,0|4,0,0]=4 38 B11R0.176 CCCC(C)SCCCC(=O)N 62a_100000766640_100102525003 [0,0,0,0,0,0|4,0,0]=4 39 B11R0.176 CCCC(C)SCCCC(=O)N 62a_100102525003_100000766640 [0,0,0,0,0,0|4,0,0]=4 40 B11R0.176 CCCN(C)CCCCC(=O)C 269982a_100000747261_100000735457 [0,0,0,0,0,0|4,0,0]=4 41 B11R0.176 CCC[C@H](N)CCOCC(=O)N 34a_100015193777_100000187820 [0,0,0,0,0,0|4,0,0]=4 42 B11R0.176 CCC[C@H](N)CCOCC(=O)[O-] 34a_100015193777_100020667443 [0,0,0,0,0,0|3,0,1]=4 43 B11R0.176 CCC[C@H](N)COCCC(=O)N 34a_100000732646_100000731001 [0,0,0,0,0,0|4,0,0]=4 44 B11R0.176 C[C@H](CCO)NCCCC(=O)N 34a_100000706166_100102525003 [0,0,0,0,0,0|3,1,0]=4 45 B10R0.1 CC(CCO)SCCCC=O 62a_100009893172_200011292268 [1,0,0,0,0,0|2,1,0]=4 46 B10R0.1 CC(CCO)SCCCC=O 62a_200011292268_100009893172 [1,0,0,0,0,0|2,1,0]=4 47 B10R0.1 CCCC(C)CCOCC=O 34a_100011217855_200009817547 [1,0,0,0,0,0|3,0,0]=4 48 B10R0.1 CCCC(C)CCOCC=O 7a_100011217855_200015260668 [1,0,0,0,0,0|3,0,0]=4 49 B10R0.1 CCCC(C)NCCCC=O 2230a_100000741246_200011292268 [1,0,0,0,0,0|3,0,0]=4 50 B10R0.1 CCCC(C)OCCCC=O 7a_100000764384_200011292268 [1,0,0,0,0,0|3,0,0]=4 51 B10R0.1 CCCC(C)SCCCC=O 62a_100000766640_200011292268 [1,0,0,0,0,0|3,0,0]=4 52 B10R0.1 CCCC(C)SCCCC=O 62a_200011292268_100000766640 [1,0,0,0,0,0|3,0,0]=4 53 B10R0.1 CCCN(C)CCCCC=O 2230a_100000747261_100000139335 [1,0,0,0,0,0|3,0,0]=4 54 B10R0.1 CCCN(C)CCCCC=O 269982a_100000747261_100000139335 [1,0,0,0,0,0|3,0,0]=4 55 B10R0.1 CCC[C@H](N)CCOCC=O 34a_100015193777_200009817547 [1,0,0,0,0,0|3,0,0]=4 56 B10R0.1 CN(CCO)CCCCC=O 2230a_100000210263_100000139335 [1,0,0,0,0,0|2,1,0]=4 57 B10R0.1 CN(CCO)CCCCC=O 269982a_100000210263_100000139335 [1,0,0,0,0,0|2,1,0]=4 58 B10R0.1 C[C@H](CCO)NCCCC=O 2230a_100000706166_200011292268 [1,0,0,0,0,0|2,1,0]=4 59 B10R0.4 C#CCCCCCCC(=O)C 1458a_100000034748_200000210301 [1,0,0,0,0,0|2,0,1]=4 60 B10R0.4 C#CCCCCCCC(=O)C 1458a_100000070787_100012276617 [1,0,0,0,0,0|2,0,1]=4 61 B10R0.4 C#CCCCCCCC(=O)[13CH3] 1458a_100000034748_200025704644 [1,0,0,0,0,0|2,0,1]=4 62 B10R0.4 C#CCCCCNCC(=O)O 269956a_100016091260_100010269958 [1,0,0,0,0,0|2,0,1]=4 63 B10R0.4 C=CCCCCCCC(=O)C 1458a_100000070787_100011215473 [1,0,0,0,0,0|2,0,1]=4 64 B10R0.4 C=CCCCCCCC(=O)C 1458a_100011809334_200000210301 [1,0,0,0,0,0|2,0,1]=4 65 B10R0.4 C=CCCCCCCC(=O)[13CH3] 1458a_100011809334_200025704644 [1,0,0,0,0,0|2,0,1]=4 66 B10R0.4 C=CCCCCNCC(=O)O 269956a_100016091260_100011215482 [1,0,0,0,0,0|2,0,1]=4 67 B10R0.4 CC(=O)CCCCCCC#N 1458a_100000070787_100009813337 [1,0,0,0,0,0|2,0,1]=4 68 B10R0.4 CC(=O)CCCCCCCO 1458a_100000070787_100000760002 [1,0,0,0,0,0|1,1,0]=3 69 B10R0.4 CC(=O)CCCCCCCO 1458a_100011219782_200000210301 [1,0,0,0,0,0|1,1,0]=3 70 B10R0.4 CC(=O)CCCCNCCF 34a_100000724931_100009817362 [1,0,0,0,0,0|3,0,0]=4 71 B10R0.4 CC(=O)CCCCNCCO 34a_100016990907_100009817362 [1,0,0,0,0,0|2,1,0]=4 72 B10R0.4 CC(=O)CCCCOCCBr 34a_100000211926_100009817362 [1,0,0,0,0,0|3,0,0]=4 73 B10R0.4 CC(=O)CCCCOCCN 34a_100000210304_100009817362 [1,0,0,0,0,0|3,0,0]=4 74 B10R0.4 CC(=O)CCCCSCCF 62a_100000735457_100011217306 [1,0,0,0,0,0|3,0,0]=4 75 B10R0.4 CC(=O)CCCCSCCF 62a_100011217306_100000735457 [1,0,0,0,0,0|3,0,0]=4 76 B10R0.4 CC(=O)CCCCSCCO 62a_100000211926_100000735457 [1,0,0,0,0,0|2,1,0]=4 77 B10R0.4 CC(=O)CCCCSCCO 62a_100000735457_100000211926 [1,0,0,0,0,0|2,1,0]=4 78 B10R0.4 CC(=O)CCCNCCCF 34a_100015189416_100000685027 [1,0,0,0,0,0|3,0,0]=4 79 B10R0.4 CC(=O)CCCOCCCBr 34a_100011217188_100000685027 [1,0,0,0,0,0|3,0,0]=4 80 B10R0.4 CC(=O)CCCOCCCCl 34a_100000230001_100000685027 [1,0,0,0,0,0|3,0,0]=4 81 B10R0.4 CC(=O)CCCOCCCF 34a_100000759063_100011934791 [1,0,0,0,0,0|3,0,0]=4 82 B10R0.4 CC(=O)CCCOCCCF 34a_100000759539_100000685027 [1,0,0,0,0,0|3,0,0]=4 83 B10R0.4 CC(=O)CCCOCCCF 7a_100000759063_100011934791 [1,0,0,0,0,0|3,0,0]=4 84 B10R0.4 CC(=O)CCCOCCCN 34a_100000182051_100000685027 [1,0,0,0,0,0|3,0,0]=4 85 B10R0.4 CC(=O)CCCOCCCO 34a_100000759063_100000230001 [1,0,0,0,0,0|2,1,0]=4 86 B10R0.4 CC(=O)CCCOCCCO 7a_100000759063_100011215043 [1,0,0,0,0,0|2,1,0]=4 87 B10R0.4 CC(=O)CCCSCCCF 62a_100011215641_100011934791 [1,0,0,0,0,0|3,0,0]=4 88 B10R0.4 CC(=O)CCCSCCCF 62a_100011934791_100011215641 [1,0,0,0,0,0|3,0,0]=4 89 B10R0.4 CC(=O)CCCSCCCO 62a_100011215043_100011215641 [1,0,0,0,0,0|2,1,0]=4 90 B10R0.4 CC(=O)CCCSCCCO 62a_100011215641_100011215043 [1,0,0,0,0,0|2,1,0]=4 91 B10R0.4 CC(=O)CCOCCCCCl 7a_100000210776_100000053229 [1,0,0,0,0,0|3,0,0]=4 92 B10R0.4 CC(=O)CCOCCCCF 34a_100000759926_100000729493 [1,0,0,0,0,0|3,0,0]=4 93 B10R0.4 CC(=O)CCOCCCCF 7a_100000759926_100000729493 [1,0,0,0,0,0|3,0,0]=4 94 B10R0.4 CC(=O)CCOCCCCF 7a_100011995726_100000053229 [1,0,0,0,0,0|3,0,0]=4 95 B10R0.4 CC(=O)CCOCCCCO 34a_100000759926_100011216708 [1,0,0,0,0,0|2,1,0]=4 96 B10R0.4 CC(=O)CCOCCCCO 7a_100000759926_100000210776 [1,0,0,0,0,0|2,1,0]=4 97 B10R0.4 CC(=O)CCSCCCCF 62a_100000053229_100000729493 [1,0,0,0,0,0|3,0,0]=4 98 B10R0.4 CC(=O)CCSCCCCF 62a_100000729493_100000053229 [1,0,0,0,0,0|3,0,0]=4 99 B10R0.4 CC(=O)CCSCCCCO 62a_100000053229_100000210776 [1,0,0,0,0,0|2,1,0]=4 100 B10R0.4 CC(=O)CCSCCCCO 62a_100000210776_100000053229 [1,0,0,0,0,0|2,1,0]=4 101 B10R0.4 CC(=O)COCCCCCF 34a_100000211253_100000729378 [1,0,0,0,0,0|3,0,0]=4 102 B10R0.4 CC(=O)COCCCCCO 34a_100000211253_100000746330 [1,0,0,0,0,0|2,1,0]=4 103 B10R0.4 CC(=O)NCCCCCCO 240690a_100000686447_100015343762 [1,0,0,0,0,0|2,1,0]=4 104 B10R0.4 CC(=O)NCCCCCCO 527a_100000686447_100103153847 [1,0,0,0,0,0|2,1,0]=4 105 B10R0.4 CCCCCCCCC(=O)C 1458a_100000070787_100000210759 [1,0,0,0,0,0|2,0,0]=3 106 B10R0.4 CCCCCCCCC(=O)C 1458a_100000210188_200000210301 [1,0,0,0,0,0|2,0,0]=3 107 B10R0.4 CCCCCCCCC(=O)[13CH3] 1458a_100000210188_200025704644 [1,0,0,0,0,0|2,0,0]=3 108 B10R0.4 CCCCCCCNC(=O)C 11a_100000229938_100015343762 [1,0,0,0,0,0|3,0,0]=4 109 B10R0.4 CCCCCCCNC(=O)C 1626a_100000229938_100015343762 [1,0,0,0,0,0|3,0,0]=4 110 B10R0.4 CCCCCCCNC(=O)C 240690a_100000229938_100015343762 [1,0,0,0,0,0|3,0,0]=4 111 B10R0.4 CCCCCCCNC(=O)C 527a_100000229938_100103153847 [1,0,0,0,0,0|3,0,0]=4 112 B10R0.4 CCCCCCNCC(=O)N 2230a_100000210581_100000747473 [1,0,0,0,0,0|3,0,0]=4 113 B10R0.4 CCCCCCNCC(=O)N 2230a_100000711301_100000210314 [1,0,0,0,0,0|3,0,0]=4 114 B10R0.4 CCCCCCNCC(=O)O 269956a_100016091260_100000210757 [1,0,0,0,0,0|2,0,0]=3 115 B10R0.4 CCCCCCOCC(=O)C 34a_100000211253_100000210314 [1,0,0,0,0,0|3,0,0]=4 116 B10R0.4 CCCCCCOCC(=O)N 34a_100000210259_100000187820 [1,0,0,0,0,0|3,0,0]=4 117 B10R0.4 CCCCCCOCC(=O)N 7a_100000210259_100000187820 [1,0,0,0,0,0|3,0,0]=4 118 B10R0.4 CCCCCCOCC(=O)[O-] 34a_100000210259_100020667443 [1,0,0,0,0,0|2,0,1]=4 119 B10R0.4 CCCCCCSCC(=O)N 62a_100000210314_100000747473 [1,0,0,0,0,0|3,0,0]=4 120 B10R0.4 CCCCCCSCC(=O)N 62a_100000747473_100000210757 [1,0,0,0,0,0|3,0,0]=4 121 B10R0.4 CCCCCCSCC(=O)[O-] 62a_100000210314_100020667443 [1,0,0,0,0,0|2,0,1]=4 122 B10R0.4 CCCCCCSCC(=O)[O-] 62a_100020667443_100000210757 [1,0,0,0,0,0|2,0,1]=4 123 B10R0.4 CCCCCNCCC(=O)N 2230a_100000209983_100000744528 [1,0,0,0,0,0|3,0,0]=4 124 B10R0.4 CCCCCNOCC(=O)O 269956a_100000106656_100000210326 [1,0,0,0,0,0|3,0,0]=4 125 B10R0.4 CCCCCOCCC(=O)C 34a_100000759926_100000718602 [1,0,0,0,0,0|3,0,0]=4 126 B10R0.4 CCCCCOCCC(=O)C 7a_100000210253_100000053229 [1,0,0,0,0,0|3,0,0]=4 127 B10R0.4 CCCCCOCCC(=O)C 7a_100000759926_100000210326 [1,0,0,0,0,0|3,0,0]=4 128 B10R0.4 CCCCCOCCC(=O)N 34a_100000210253_100000731001 [1,0,0,0,0,0|3,0,0]=4 129 B10R0.4 CCCCCOCCC(=O)N 34a_100000757172_100000718602 [1,0,0,0,0,0|3,0,0]=4 130 B10R0.4 CCCCCOCCC(=O)N 7a_100000210253_100000744528 [1,0,0,0,0,0|3,0,0]=4 131 B10R0.4 CCCCCOCCC(=O)N 7a_100000757172_100000210326 [1,0,0,0,0,0|3,0,0]=4 132 B10R0.4 CCCCCSCCC(=O)C 62a_100000053229_100000210326 [1,0,0,0,0,0|3,0,0]=4 133 B10R0.4 CCCCCSCCC(=O)C 62a_100000210326_100000053229 [1,0,0,0,0,0|3,0,0]=4 134 B10R0.4 CCCCCSCCC(=O)N 62a_100000210326_100000744528 [1,0,0,0,0,0|3,0,0]=4 135 B10R0.4 CCCCCSCCC(=O)N 62a_100000744528_100000210326 [1,0,0,0,0,0|3,0,0]=4 136 B10R0.4 CCCCNCCCC(=O)C 7a_106832991798_100011215641 [1,0,0,0,0,0|3,0,0]=4 137 B10R0.4 CCCCNCCCC(=O)N 34a_100000739312_100000210210 [1,0,0,0,0,0|3,0,0]=4 138 B10R0.4 CCCCNCCCC(=O)N 7a_106832991798_100102525003 [1,0,0,0,0,0|3,0,0]=4 139 B10R0.4 CCCCOCCCC(=O)C 34a_100000210227_100000685027 [1,0,0,0,0,0|3,0,0]=4 140 B10R0.4 CCCCOCCCC(=O)C 34a_100000759063_100000210210 [1,0,0,0,0,0|3,0,0]=4 141 B10R0.4 CCCCOCCCC(=O)C 7a_100000210227_100011215641 [1,0,0,0,0,0|3,0,0]=4 142 B10R0.4 CCCCOCCCC(=O)C 7a_100000759063_100000210211 [1,0,0,0,0,0|3,0,0]=4 143 B10R0.4 CCCCOCCCC(=O)N 34a_100000210227_100102525003 [1,0,0,0,0,0|3,0,0]=4 144 B10R0.4 CCCCOCCCC(=O)N 7a_100000210227_100102525003 [1,0,0,0,0,0|3,0,0]=4 145 B10R0.4 CCCCOCNCC(=O)O 269956a_100016091260_100011995733 [1,0,0,0,0,0|3,0,0]=4 146 B10R0.4 CCCCSCCCC(=O)C 62a_100000210211_100011215641 [1,0,0,0,0,0|3,0,0]=4 147 B10R0.4 CCCCSCCCC(=O)C 62a_100011215641_100000210210 [1,0,0,0,0,0|3,0,0]=4 148 B10R0.4 CCCCSCCCC(=O)N 62a_100000210211_100102525003 [1,0,0,0,0,0|3,0,0]=4 149 B10R0.4 CCCCSCCCC(=O)N 62a_100102525003_100000210210 [1,0,0,0,0,0|3,0,0]=4 150 B10R0.4 CCCNCCCCC(=O)N 34a_100000696515_100000210303 [1,0,0,0,0,0|3,0,0]=4 151 B10R0.4 CCCNCCOCC(=O)O 269956a_100000700818_100000210207 [1,0,0,0,0,0|3,0,0]=4 152 B10R0.4 CCCOCCCCC(=O)C 34a_100000210258_100009817362 [1,0,0,0,0,0|3,0,0]=4 153 B10R0.4 CCCOCCCCC(=O)N 34a_100012022536_100000210303 [1,0,0,0,0,0|3,0,0]=4 154 B10R0.4 CCCOCCCCC(=O)N 7a_100012022536_100000210303 [1,0,0,0,0,0|3,0,0]=4 155 B10R0.4 CCCOCCNCC(=O)O 269956a_100016091260_100011215938 [1,0,0,0,0,0|3,0,0]=4 156 B10R0.4 CCCSCCCCC(=O)C 62a_100000210303_100000735457 [1,0,0,0,0,0|3,0,0]=4 157 B10R0.4 CCCSCCCCC(=O)C 62a_100000735457_100000210303 [1,0,0,0,0,0|3,0,0]=4 158 B10R0.4 CCNCCCCCC(=O)N 2230a_100015525214_100009817443 [1,0,0,0,0,0|3,0,0]=4 159 B10R0.4 CCOCCCCCC(=O)N 34a_100000123541_100000210202 [1,0,0,0,0,0|3,0,0]=4 160 B10R0.4 CCOCCCCCC(=O)N 34a_100121572206_100009817443 [1,0,0,0,0,0|3,0,0]=4 161 B10R0.4 CCOCCCCCC(=O)N 7a_100000123541_100000210202 [1,0,0,0,0,0|3,0,0]=4 162 B10R0.4 CCOCCCCCC(=O)[O-] 7a_100102619762_100000210202 [1,0,0,0,0,0|2,0,1]=4 163 B10R0.4 CCOCCCNCC(=O)O 269956a_100016091260_100012232248 [1,0,0,0,0,0|3,0,0]=4 164 B10R0.4 CCSCCCCCC(=O)N 62a_100000210202_100009817443 [1,0,0,0,0,0|3,0,0]=4 165 B10R0.4 CCSCCCCCC(=O)N 62a_100009817443_100000210202 [1,0,0,0,0,0|3,0,0]=4 166 B10R0.4 COCCCCCCC(=O)C 1458a_100000070787_100011998445 [1,0,0,0,0,0|3,0,0]=4 167 B10R0.4 COCCCCNCC(=O)O 269956a_100016091260_100000730899 [1,0,0,0,0,0|3,0,0]=4 168 B10R0.4 N#CCCCCNCC(=O)O 269956a_100016091260_100011219923 [1,0,0,0,0,0|2,0,1]=4 169 B10R0.4 NC(=O)CCCCCOCF 34a_100000123541_100015361967 [1,0,0,0,0,0|3,0,0]=4 170 B10R0.4 NC(=O)CCCCCOCF 7a_100000123541_100015361967 [1,0,0,0,0,0|3,0,0]=4 171 B10R0.4 NC(=O)CCCCCSCF 62a_100009817443_100015361967 [1,0,0,0,0,0|3,0,0]=4 172 B10R0.4 NC(=O)CCCCCSCF 62a_100015361967_100009817443 [1,0,0,0,0,0|3,0,0]=4 173 B10R0.4 NC(=O)CCCCNCCF 34a_100000696515_100011217306 [1,0,0,0,0,0|3,0,0]=4 174 B10R0.4 NC(=O)CCCCNCCO 34a_100000696515_100000211926 [1,0,0,0,0,0|2,1,0]=4 175 B10R0.4 NC(=O)CCCCOCCF 34a_100012022536_100011217306 [1,0,0,0,0,0|3,0,0]=4 176 B10R0.4 NC(=O)CCCCOCCF 7a_100012022536_100011217306 [1,0,0,0,0,0|3,0,0]=4 177 B10R0.4 NC(=O)CCCCOCCO 34a_100012022536_100000211926 [1,0,0,0,0,0|2,1,0]=4 178 B10R0.4 NC(=O)CCCCOCCO 7a_100012022536_100000211926 [1,0,0,0,0,0|2,1,0]=4 179 B10R0.4 NC(=O)CCCNCCCF 34a_100000739312_100011934791 [1,0,0,0,0,0|3,0,0]=4 180 B10R0.4 NC(=O)CCCNCCCF 34a_100015189416_100102525003 [1,0,0,0,0,0|3,0,0]=4 181 B10R0.4 NC(=O)CCCNCCCO 34a_100000739312_100000230001 [1,0,0,0,0,0|2,1,0]=4 182 B10R0.4 NC(=O)CCCOCCCBr 34a_100011217188_100102525003 [1,0,0,0,0,0|3,0,0]=4 183 B10R0.4 NC(=O)CCCOCCCCl 34a_100000230001_100102525003 [1,0,0,0,0,0|3,0,0]=4 184 B10R0.4 NC(=O)CCCOCCCF 34a_100000759539_100102525003 [1,0,0,0,0,0|3,0,0]=4 185 B10R0.4 NC(=O)CCCSCCCF 62a_100011934791_100102525003 [1,0,0,0,0,0|3,0,0]=4 186 B10R0.4 NC(=O)CCCSCCCF 62a_100102525003_100011934791 [1,0,0,0,0,0|3,0,0]=4 187 B10R0.4 NC(=O)CCCSCCCO 62a_100011215043_100102525003 [1,0,0,0,0,0|2,1,0]=4 188 B10R0.4 NC(=O)CCCSCCCO 62a_100102525003_100011215043 [1,0,0,0,0,0|2,1,0]=4 189 B10R0.4 NC(=O)CCNCCCCO 2230a_100000750430_100000744528 [1,0,0,0,0,0|2,1,0]=4 190 B10R0.4 NC(=O)CCNCCCCO 34a_100000750430_100000731001 [1,0,0,0,0,0|2,1,0]=4 191 B10R0.4 NC(=O)CCOCCCCBr 34a_100011216708_100000731001 [1,0,0,0,0,0|3,0,0]=4 192 B10R0.4 NC(=O)CCOCCCCCl 34a_100000210776_100000731001 [1,0,0,0,0,0|3,0,0]=4 193 B10R0.4 NC(=O)CCOCCCCCl 7a_100000210776_100000744528 [1,0,0,0,0,0|3,0,0]=4 194 B10R0.4 NC(=O)CCOCCCCF 34a_100000757172_100000729493 [1,0,0,0,0,0|3,0,0]=4 195 B10R0.4 NC(=O)CCOCCCCF 34a_100011995726_100000731001 [1,0,0,0,0,0|3,0,0]=4 196 B10R0.4 NC(=O)CCOCCCCF 7a_100000757172_100000729493 [1,0,0,0,0,0|3,0,0]=4 197 B10R0.4 NC(=O)CCOCCCCF 7a_100011995726_100000744528 [1,0,0,0,0,0|3,0,0]=4 198 B10R0.4 NC(=O)CCOCCCCI 34a_200012148704_100000731001 [1,0,0,0,0,0|3,0,0]=4 199 B10R0.4 NC(=O)CCOCCCCO 34a_100000757172_100011216708 [1,0,0,0,0,0|2,1,0]=4 200 B10R0.4 NC(=O)CCOCCCCO 7a_100000757172_100000210776 [1,0,0,0,0,0|2,1,0]=4 201 B10R0.4 NC(=O)CCSCCCCF 62a_100000729493_100000744528 [1,0,0,0,0,0|3,0,0]=4 202 B10R0.4 NC(=O)CCSCCCCF 62a_100000744528_100000729493 [1,0,0,0,0,0|3,0,0]=4 203 B10R0.4 NC(=O)CCSCCCCO 62a_100000210776_100000744528 [1,0,0,0,0,0|2,1,0]=4 204 B10R0.4 NC(=O)CCSCCCCO 62a_100000744528_100000210776 [1,0,0,0,0,0|2,1,0]=4 205 B10R0.4 NC(=O)CNCCCCCF 2230a_100000711301_100000729378 [1,0,0,0,0,0|3,0,0]=4 206 B10R0.4 NC(=O)CNCCCCCO 2230a_100000711301_100000746330 [1,0,0,0,0,0|2,1,0]=4 207 B10R0.4 NC(=O)CNCCCCCO 2230a_100000762737_100000747473 [1,0,0,0,0,0|2,1,0]=4 208 B10R0.4 NC(=O)CNCCCCCO 34a_100000762737_100000187820 [1,0,0,0,0,0|2,1,0]=4 209 B10R0.4 NC(=O)COCCCCCBr 34a_100000746331_100000187820 [1,0,0,0,0,0|3,0,0]=4 210 B10R0.4 NC(=O)COCCCCCBr 7a_100000746331_100000187820 [1,0,0,0,0,0|3,0,0]=4 211 B10R0.4 NC(=O)COCCCCCCl 34a_100000746330_100000187820 [1,0,0,0,0,0|3,0,0]=4 212 B10R0.4 NC(=O)COCCCCCCl 7a_100000746330_100000187820 [1,0,0,0,0,0|3,0,0]=4 213 B10R0.4 NC(=O)COCCCCCI 34a_200012148887_100000187820 [1,0,0,0,0,0|3,0,0]=4 214 B10R0.4 NC(=O)COCCCCCI 7a_200012148887_100000187820 [1,0,0,0,0,0|3,0,0]=4 215 B10R0.4 NC(=O)CSCCCCCF 62a_100000729378_100000747473 [1,0,0,0,0,0|3,0,0]=4 216 B10R0.4 NC(=O)CSCCCCCF 62a_100000747473_100000729378 [1,0,0,0,0,0|3,0,0]=4 217 B10R0.4 NC(=O)CSCCCCCO 62a_100000746330_100000747473 [1,0,0,0,0,0|2,1,0]=4 218 B10R0.4 NC(=O)CSCCCCCO 62a_100000747473_100000746330 [1,0,0,0,0,0|2,1,0]=4 219 B10R0.4 NCCCCCOCC(=O)N 34a_100000762737_100000187820 [1,0,0,0,0,0|3,0,0]=4 220 B10R0.4 NCCCCCOCC(=O)[O-] 34a_100000762737_100020667443 [1,0,0,0,0,0|2,0,1]=4 221 B10R0.4 NCCCCOCCC(=O)N 34a_100000750430_100000731001 [1,0,0,0,0,0|3,0,0]=4 222 B10R0.4 NCCCOCCCC(=O)N 34a_100000182051_100102525003 [1,0,0,0,0,0|3,0,0]=4 223 B10R0.4 O=C(O)CNCCCCCF 269956a_100016091260_100000729378 [1,0,0,0,0,0|2,0,0]=3 224 B10R0.4 O=C(O)CNCCCCCO 269956a_100016091260_100000746330 [1,0,0,0,0,0|1,1,0]=3 225 B10R0.4 O=C(O)CNCCOCCO 269956a_100016091260_100011215305 [1,0,0,0,0,0|2,1,0]=4 226 B10R0.4 O=C(O)COCCNCCF 269956a_100000700818_100011217306 [1,0,0,0,0,0|3,0,0]=4 227 B10R0.4 O=C(O)COCCNCCO 269956a_100000700818_100000211926 [1,0,0,0,0,0|2,1,0]=4 228 B10R0.4 O=C(O)CONCCCCF 269956a_100000106656_100000729493 [1,0,0,0,0,0|3,0,0]=4 229 B10R0.4 O=C(O)CONCCCCO 269956a_100000106656_100000210776 [1,0,0,0,0,0|2,1,0]=4 230 B10R0.4 O=C([O-])CCCCCOCF 7a_100102619762_100015361967 [1,0,0,0,0,0|2,0,1]=4 231 B10R0.4 O=C([O-])CNCCCCCO 34a_100000762737_100020667443 [1,0,0,0,0,0|1,1,1]=4 232 B10R0.4 O=C([O-])COCCCCCBr 34a_100000746331_100020667443 [1,0,0,0,0,0|2,0,1]=4 233 B10R0.4 O=C([O-])COCCCCCCl 34a_100000746330_100020667443 [1,0,0,0,0,0|2,0,1]=4 234 B10R0.4 O=C([O-])COCCCCCI 34a_200012148887_100020667443 [1,0,0,0,0,0|2,0,1]=4 235 B10R0.4 O=C([O-])CSCCCCCF 62a_100000729378_100020667443 [1,0,0,0,0,0|2,0,1]=4 236 B10R0.4 O=C([O-])CSCCCCCF 62a_100020667443_100000729378 [1,0,0,0,0,0|2,0,1]=4 237 B10R0.4 O=C([O-])CSCCCCCO 62a_100000746330_100020667443 [1,0,0,0,0,0|1,1,1]=4 238 B10R0.4 O=C([O-])CSCCCCCO 62a_100020667443_100000746330 [1,0,0,0,0,0|1,1,1]=4 239 B10R0.4 O=CCCCCNCC(=O)O 269956a_100016091260_100000139335 [1,0,0,0,0,0|1,1,1]=4 240 B10R0.4 [13CH3]C(=O)CCCCCCCO 1458a_100011219782_200025704644 [1,0,0,0,0,0|1,1,0]=3 241 B10R0.55 CCC(=O)CCCCC(=O)C 1458a_100000210414_100000735457 [1,0,0,0,0,0|1,1,1]=4 242 B10R0.55 CCC(C)CCNCC(=O)N 2230a_100020591266_100000747473 [1,0,0,0,0,0|3,0,0]=4 243 B10R0.55 CCC(C)CCOCC(=O)N 7a_100011215188_100000187820 [1,0,0,0,0,0|3,0,0]=4 244 B10R0.55 CCC(C)CNCCC(=O)N 2230a_100020588543_100000744528 [1,0,0,0,0,0|3,0,0]=4 245 B10R0.55 CCC(C)CNOCC(=O)O 269956a_100000106656_100000748023 [1,0,0,0,0,0|3,0,0]=4 246 B10R0.55 CCC(C)COCCC(=O)C 34a_100000759926_100000748023 [1,0,0,0,0,0|3,0,0]=4 247 B10R0.55 CCC(C)COCCC(=O)C 7a_100000759926_100000748023 [1,0,0,0,0,0|3,0,0]=4 248 B10R0.55 CCC(C)COCCC(=O)N 34a_100000757172_100000748023 [1,0,0,0,0,0|3,0,0]=4 249 B10R0.55 CCC(C)COCCC(=O)N 7a_100000757172_100000748023 [1,0,0,0,0,0|3,0,0]=4 250 B10R0.55 CCC(C)CSCCC(=O)C 62a_100000053229_100000748023 [1,0,0,0,0,0|3,0,0]=4 251 B10R0.55 CCC(C)CSCCC(=O)C 62a_100000748023_100000053229 [1,0,0,0,0,0|3,0,0]=4 252 B10R0.55 CCC(C)CSCCC(=O)N 62a_100000744528_100000748023 [1,0,0,0,0,0|3,0,0]=4 253 B10R0.55 CCC(C)CSCCC(=O)N 62a_100000748023_100000744528 [1,0,0,0,0,0|3,0,0]=4 254 B10R0.55 CCC(C)NCCCC(=O)N 34a_100000739312_100011215416 [1,0,0,0,0,0|3,0,0]=4 255 B10R0.55 CCC(C)OCCCC(=O)C 34a_100000759063_100011215416 [1,0,0,0,0,0|3,0,0]=4 256 B10R0.55 CCC(C)OCCCC(=O)C 7a_100000210228_100011215641 [1,0,0,0,0,0|3,0,0]=4 257 B10R0.55 CCC(C)OCCCC(=O)C 7a_100000759063_100000758301 [1,0,0,0,0,0|3,0,0]=4 258 B10R0.55 CCC(C)OCCCC(=O)N 7a_100000210228_100102525003 [1,0,0,0,0,0|3,0,0]=4 259 B10R0.55 CCC(C)SCCCC(=O)C 62a_100000758301_100011215641 [1,0,0,0,0,0|3,0,0]=4 260 B10R0.55 CCC(C)SCCCC(=O)C 62a_100011215641_100000758301 [1,0,0,0,0,0|3,0,0]=4 261 B10R0.55 CCC(C)SCCCC(=O)N 62a_100000758301_100102525003 [1,0,0,0,0,0|3,0,0]=4 262 B10R0.55 CCC(C)SCCCC(=O)N 62a_100102525003_100000758301 [1,0,0,0,0,0|3,0,0]=4 263 B10R0.55 CCC(O)CNCCC(=O)N 2230a_100011218483_100000744528 [1,0,0,0,0,0|2,1,0]=4 264 B10R0.55 CCC(O)CNOCC(=O)O 269956a_100000106656_100011218378 [1,0,0,0,0,0|2,1,0]=4 265 B10R0.55 CCC(O)COCCC(=O)C 34a_100000759926_100011218378 [1,0,0,0,0,0|2,1,0]=4 266 B10R0.55 CCC(O)COCCC(=O)C 7a_100000759926_100011218378 [1,0,0,0,0,0|2,1,0]=4 267 B10R0.55 CCC(O)COCCC(=O)N 34a_100000757172_100011218378 [1,0,0,0,0,0|2,1,0]=4 268 B10R0.55 CCC(O)COCCC(=O)N 7a_100000757172_100011218378 [1,0,0,0,0,0|2,1,0]=4 269 B10R0.55 CCC(O)CSCCC(=O)C 62a_100000053229_100011218378 [1,0,0,0,0,0|2,1,0]=4 270 B10R0.55 CCC(O)CSCCC(=O)C 62a_100011218378_100000053229 [1,0,0,0,0,0|2,1,0]=4 271 B10R0.55 CCC(O)CSCCC(=O)N 62a_100000744528_100011218378 [1,0,0,0,0,0|2,1,0]=4 272 B10R0.55 CCC(O)CSCCC(=O)N 62a_100011218378_100000744528 [1,0,0,0,0,0|2,1,0]=4 273 B10R0.55 CCN(C)CCCCC(=O)C 269982a_100000225621_100000735457 [1,0,0,0,0,0|3,0,0]=4 274 B10R0.55 CC[C@H](C)CNOCC(=O)O 269956a_100000106656_100009816398 [1,0,0,0,0,0|3,0,0]=4 275 B10R0.55 CC[C@H](C)COCCC(=O)C 34a_100000759926_100009816398 [1,0,0,0,0,0|3,0,0]=4 276 B10R0.55 CC[C@H](C)COCCC(=O)C 7a_100000759926_100009816398 [1,0,0,0,0,0|3,0,0]=4 277 B10R0.55 CC[C@H](C)COCCC(=O)C 7a_100009816381_100000053229 [1,0,0,0,0,0|3,0,0]=4 278 B10R0.55 CC[C@H](C)COCCC(=O)N 34a_100000757172_100009816398 [1,0,0,0,0,0|3,0,0]=4 279 B10R0.55 CC[C@H](C)COCCC(=O)N 7a_100000757172_100009816398 [1,0,0,0,0,0|3,0,0]=4 280 B10R0.55 CC[C@H](C)COCCC(=O)N 7a_100009816381_100000744528 [1,0,0,0,0,0|3,0,0]=4 281 B10R0.55 CC[C@H](C)CSCCC(=O)C 62a_100000053229_100009816398 [1,0,0,0,0,0|3,0,0]=4 282 B10R0.55 CC[C@H](C)CSCCC(=O)C 62a_100009816398_100000053229 [1,0,0,0,0,0|3,0,0]=4 283 B10R0.55 CC[C@H](C)CSCCC(=O)N 62a_100000744528_100009816398 [1,0,0,0,0,0|3,0,0]=4 284 B10R0.55 CC[C@H](C)CSCCC(=O)N 62a_100009816398_100000744528 [1,0,0,0,0,0|3,0,0]=4 285 B12R0.54 CC(CCO)N(C)CCCC(=O)O 269956a_100000719178_100009893172 [0,1,0,0,0,0|2,1,0]=4 286 B12R0.54 CCCC(C)N(C)CCCC(=O)O 269956a_100000719178_100000766640 [0,1,0,0,0,0|3,0,0]=4 287 B12R0.95 CSCCC(=O)CCCCC(=O)C 1458a_100000174002_100000735457 [0,1,0,0,0,0|1,1,1]=4 288 B12R0.95 CSCCN(C)CCCCC(=O)C 269982a_100000686725_100000735457 [0,1,0,0,0,0|3,0,0]=4 289 B12R0.95 CSCC[C@H](N)COCCC(=O)N 34a_100011827619_100000731001 [0,1,0,0,0,0|3,0,0]=4 290 B12R0.224 CCCC(CCOCC(=O)N)SC 34a_100000032865_100000187820 [0,1,0,0,0,0|3,0,0]=4 291 B12R0.224 CCCC(CCOCC(=O)N)SC 7a_100000032865_100000187820 [0,1,0,0,0,0|3,0,0]=4 292 B12R0.224 CCCC(CCOCC(=O)[O-])SC 34a_100000032865_100020667443 [0,1,0,0,0,0|2,0,1]=4 293 B12R0.272 CC(CCO)NCC(O)CC(=O)O 269956a_100011218706_100009893172 [0,1,0,0,0,0|2,1,0]=4 294 B12R0.272 CCCC(C)NCC(O)CC(=O)O 269956a_100011218706_100000766640 [0,1,0,0,0,0|3,0,0]=4 295 B12R0.276 CCCC(=O)CCCCC(=O)OC 1458a_100000211992_100000204269 [0,1,0,0,0,0|1,1,1]=4 296 B12R0.276 CCCC(=O)CCCCC(=O)OC 1458a_100000695723_100000210303 [0,1,0,0,0,0|1,1,1]=4 297 B12R0.276 CCCC(C)CCOCC(=O)OC 34a_100011217855_100000747449 [0,1,0,0,0,0|3,0,0]=4 298 B12R0.276 CCCC(C)CCOCC(=O)OC 7a_100011217855_100000747449 [0,1,0,0,0,0|3,0,0]=4 299 B12R0.276 CCCC(C)COCCC(=O)OC 34a_100000688023_100000742370 [0,1,0,0,0,0|3,0,0]=4 300 B12R0.276 CCCC(C)COCCC(=O)OC 7a_100000688023_100000204255 [0,1,0,0,0,0|3,0,0]=4 301 B12R0.276 CCCC(C)CSCCC(=O)OC 62a_100000204255_100011216630 [0,1,0,0,0,0|3,0,0]=4 302 B12R0.276 CCCC(C)CSCCC(=O)OC 62a_100011216630_100000204255 [0,1,0,0,0,0|3,0,0]=4 303 B12R0.276 CCCC(C)NCCCC(=O)OC 2230a_100000741246_100011218270 [0,1,0,0,0,0|3,0,0]=4 304 B12R0.276 CCCC(C)OCCCC(=O)OC 34a_100000764384_100000742333 [0,1,0,0,0,0|3,0,0]=4 305 B12R0.276 CCCC(C)OCCCC(=O)OC 7a_100000764384_100011218270 [0,1,0,0,0,0|3,0,0]=4 306 B12R0.276 CCCC(C)SCCCC(=O)OC 62a_100000766640_100011218270 [0,1,0,0,0,0|3,0,0]=4 307 B12R0.276 CCCC(C)SCCCC(=O)OC 62a_100011218270_100000766640 [0,1,0,0,0,0|3,0,0]=4 308 B12R0.276 CCCN(C)CCCCC(=O)OC 2230a_100000747261_100000204269 [0,1,0,0,0,0|3,0,0]=4 309 B12R0.276 CCCN(C)CCCCC(=O)OC 269982a_100000747261_100000204269 [0,1,0,0,0,0|3,0,0]=4 310 B12R0.276 CCC[C@H](N)CCOCC(=O)OC 34a_100015193777_100000747449 [0,1,0,0,0,0|3,0,0]=4 311 B12R0.276 CCC[C@H](N)COCCC(=O)OC 34a_100000732646_100000742370 [0,1,0,0,0,0|3,0,0]=4 312 B12R0.276 COC(=O)CCCCC(=O)CCF 1458a_100000695723_100011217306 [0,1,0,0,0,0|1,1,1]=4 313 B12R0.276 COC(=O)CCCCC(=O)CCO 1458a_100000695723_100000211926 [0,1,0,0,0,0|0,2,1]=4 314 B12R0.276 COC(=O)CCCCC(=O)CCO 1458a_100011216618_100000204269 [0,1,0,0,0,0|0,2,1]=4 315 B12R0.276 COC(=O)CCCCN(C)CCO 2230a_100000210263_100000204269 [0,1,0,0,0,0|2,1,0]=4 316 B12R0.276 COC(=O)CCCCN(C)CCO 269982a_100000210263_100000204269 [0,1,0,0,0,0|2,1,0]=4 317 B12R0.276 COC(=O)CCCN[C@H](C)CCO 2230a_100000706166_100011218270 [0,1,0,0,0,0|2,1,0]=4 318 B12R0.276 COC(=O)CCCN[C@H](C)CCO 34a_100000706166_100000742333 [0,1,0,0,0,0|2,1,0]=4 319 B12R0.276 COC(=O)CCCOC(C)CCBr 34a_100012276601_100000742333 [0,1,0,0,0,0|3,0,0]=4 320 B12R0.276 COC(=O)CCCSC(C)CCO 62a_100009893172_100011218270 [0,1,0,0,0,0|2,1,0]=4 321 B12R0.276 COC(=O)CCCSC(C)CCO 62a_100011218270_100009893172 [0,1,0,0,0,0|2,1,0]=4 322 B12R0.276 COC(=O)CCOCC(C)CCN 34a_106354213184_100000742370 [0,1,0,0,0,0|3,0,0]=4 323 B12R0.279 CCCC(C)CNCC(C)C(=O)O 269956a_100000749485_100011216630 [0,1,0,0,0,0|3,0,0]=4 324 B12R0.279 CCCC(C)CNCC(F)C(=O)O 269956a_100000084737_100011216630 [0,1,0,0,0,0|3,0,0]=4 325 B12R1.87 CC1CCCC(N1CF)C(=O)O 269956a_100000704260_100015361967 [0,0,0,1,0,0|3,0,0]=4 326 B12R1.87 CCN1C(CCCC1C(=O)O)C 269956a_100000704260_100000210202 [0,0,0,1,0,0|3,0,0]=4 327 B12R1.182 CCCN1CCC(C1)CC(=O)O 269956a_100000719201_100000210207 [0,0,0,1,0,0|3,0,0]=4 328 B12R1.182 O=C(O)CC1CCN(C1)CCF 269956a_100000719201_100011217306 [0,0,0,1,0,0|3,0,0]=4 329 B12R1.182 O=C(O)CC1CCN(C1)CCO 269956a_100000719201_100000211926 [0,0,0,1,0,0|2,1,0]=4 330 B12R1.255 CC(=O)CCCCN1CCSC1 269982a_100011215254_100000735457 [0,0,0,1,0,0|3,0,0]=4 331 B12R1.255 CC(=O)CCCC[C@@H]1CCSS1 1458a_100009816572_200000210301 [0,0,0,1,0,0|1,0,0]=2 332 B12R1.255 CC(=O)CCCOC1CCSC1 7a_100011232664_100011215641 [0,0,0,1,0,0|3,0,0]=4 333 B12R1.255 NC(=O)CCCOC1CCSC1 7a_100011232664_100102525003 [0,0,0,1,0,0|3,0,0]=4 334 B12R1.255 O=C(O)CNCCC1CCCC1 269956a_100016091260_100000760354 [0,0,0,1,0,0|3,0,0]=4 335 B12R1.255 [13CH3]C(=O)CCCC[C@@H]1CCSS1 1458a_100009816572_200025704644 [0,0,0,1,0,0|1,0,0]=2 336 B12R1.279 CCNC1CCCC(C1)C(=O)O 269956a_100011216634_100000210202 [0,0,0,1,0,0|3,0,0]=4 337 B12R1.279 O=C(O)C1CCCC(C1)NCF 269956a_100011216634_100015361967 [0,0,0,1,0,0|3,0,0]=4 338 B12R1.1584 CC(CCO)N1CCC1C(=O)O 269956a_100000021838_100009893172 [0,0,0,1,0,0|2,1,0]=4 339 B12R1.1584 CCCC(C)N1CCC1C(=O)O 269956a_100000021838_100000766640 [0,0,0,1,0,0|3,0,0]=4 340 B10R0.3 CCCC(C)CNCC(=O)O 269956a_100016091260_100011216630 [0,0,0,0,1,0|3,0,0]=4 341 B10R0.3 CCCN(C)CCCC(=O)O 269956a_100000719178_100000210207 [0,0,0,0,1,0|3,0,0]=4 342 B10R0.3 CN(CCF)CCCC(=O)O 269956a_100000719178_100011217306 [0,0,0,0,1,0|3,0,0]=4 343 B10R0.3 CN(CCO)CCCC(=O)O 269956a_100000719178_100000211926 [0,0,0,0,1,0|2,1,0]=4 344 B12R0.277 CC(=O)CCCCN[C@H](C)CCO 34a_100000706166_100009817362 [0,0,0,0,0,1|2,1,0]=4 345 B12R0.277 CC(=O)CCCCOC(C)CCBr 34a_100012276601_100009817362 [0,0,0,0,0,1|3,0,0]=4 346 B12R0.277 CC(=O)CCCCSC(C)CCO 62a_100000735457_100009893172 [0,0,0,0,0,1|2,1,0]=4 347 B12R0.277 CC(=O)CCCCSC(C)CCO 62a_100009893172_100000735457 [0,0,0,0,0,1|2,1,0]=4 348 B12R0.277 CC(=O)CCCOCC(C)CCN 34a_106354213184_100000685027 [0,0,0,0,0,1|3,0,0]=4 349 B12R0.277 CC(CCN)COCCCC(=O)N 34a_106354213184_100102525003 [0,0,0,0,0,1|3,0,0]=4 350 B12R0.277 CC(CCO)NCCCCC(=O)N 34a_100000696515_100009893172 [0,0,0,0,0,1|2,1,0]=4 351 B12R0.277 CC(CCO)NCCOCC(=O)O 269956a_100000700818_100009893172 [0,0,0,0,0,1|2,1,0]=4 352 B12R0.277 CC(CCO)OCCCCC(=O)N 34a_100012022536_100009893172 [0,0,0,0,0,1|2,1,0]=4 353 B12R0.277 CC(CCO)OCCCCC(=O)N 7a_100012022536_100009893172 [0,0,0,0,0,1|2,1,0]=4 354 B12R0.277 CCCC(C)CCCOCC(=O)N 34a_100011713154_100000187820 [0,0,0,0,0,1|3,0,0]=4 355 B12R0.277 CCCC(C)CCCOCC(=O)N 7a_100011713154_100000187820 [0,0,0,0,0,1|3,0,0]=4 356 B12R0.277 CCCC(C)CCCOCC(=O)[O-] 34a_100011713154_100020667443 [0,0,0,0,0,1|2,0,1]=4 357 B12R0.277 CCCC(C)CCOCCC(=O)C 7a_100011217855_100000053229 [0,0,0,0,0,1|3,0,0]=4 358 B12R0.277 CCCC(C)CCOCCC(=O)N 34a_100011217855_100000731001 [0,0,0,0,0,1|3,0,0]=4 359 B12R0.277 CCCC(C)CCOCCC(=O)N 7a_100011217855_100000744528 [0,0,0,0,0,1|3,0,0]=4 360 B12R0.277 CCCC(C)CNCCCC(=O)N 34a_100000739312_100011216630 [0,0,0,0,0,1|3,0,0]=4 361 B12R0.277 CCCC(C)COCCCC(=O)C 34a_100000688023_100000685027 [0,0,0,0,0,1|3,0,0]=4 362 B12R0.277 CCCC(C)COCCCC(=O)C 34a_100000759063_100011216630 [0,0,0,0,0,1|3,0,0]=4 363 B12R0.277 CCCC(C)COCCCC(=O)C 7a_100000688023_100011215641 [0,0,0,0,0,1|3,0,0]=4 364 B12R0.277 CCCC(C)COCCCC(=O)C 7a_100000759063_100011216630 [0,0,0,0,0,1|3,0,0]=4 365 B12R0.277 CCCC(C)COCCCC(=O)N 34a_100000688023_100102525003 [0,0,0,0,0,1|3,0,0]=4 366 B12R0.277 CCCC(C)COCCCC(=O)N 7a_100000688023_100102525003 [0,0,0,0,0,1|3,0,0]=4 367 B12R0.277 CCCC(C)CSCCCC(=O)C 62a_100011215641_100011216630 [0,0,0,0,0,1|3,0,0]=4 368 B12R0.277 CCCC(C)CSCCCC(=O)C 62a_100011216630_100011215641 [0,0,0,0,0,1|3,0,0]=4 369 B12R0.277 CCCC(C)CSCCCC(=O)N 62a_100011216630_100102525003 [0,0,0,0,0,1|3,0,0]=4 370 B12R0.277 CCCC(C)CSCCCC(=O)N 62a_100102525003_100011216630 [0,0,0,0,0,1|3,0,0]=4 371 B12R0.277 CCCC(C)NCCCCC(=O)N 270004a_100000696515_100000211909 [0,0,0,0,0,1|3,0,0]=4 372 B12R0.277 CCCC(C)NCCCCC(=O)N 34a_100000696515_100000766640 [0,0,0,0,0,1|3,0,0]=4 373 B12R0.277 CCCC(C)NCCOCC(=O)O 269956a_100000700818_100000766640 [0,0,0,0,0,1|3,0,0]=4 374 B12R0.277 CCCC(C)OCCCCC(=O)C 34a_100000764384_100009817362 [0,0,0,0,0,1|3,0,0]=4 375 B12R0.277 CCCC(C)OCCCCC(=O)C 7a_100000764384_100000735457 [0,0,0,0,0,1|3,0,0]=4 376 B12R0.277 CCCC(C)OCCCCC(=O)N 34a_100012022536_100000766640 [0,0,0,0,0,1|3,0,0]=4 377 B12R0.277 CCCC(C)OCCCCC(=O)N 7a_100012022536_100000766640 [0,0,0,0,0,1|3,0,0]=4 378 B12R0.277 CCCC(C)SCCCCC(=O)C 62a_100000735457_100000766640 [0,0,0,0,0,1|3,0,0]=4 379 B12R0.277 CCCC(C)SCCCCC(=O)C 62a_100000766640_100000735457 [0,0,0,0,0,1|3,0,0]=4 380 B12R0.277 CCC[C@H](N)CCOCCC(=O)N 34a_100015193777_100000731001 [0,0,0,0,0,1|3,0,0]=4 381 B12R0.277 CCC[C@H](N)COCCCC(=O)C 34a_100000732646_100000685027 [0,0,0,0,0,1|3,0,0]=4 382 B12R0.277 CCC[C@H](N)COCCCC(=O)N 34a_100000732646_100102525003 [0,0,0,0,0,1|3,0,0]=4 383 B9R0.45 CCCCCCNCC=O 2230a_100000210581_200015260668 [2,0,0,0,0,0|2,0,0]=4 384 B9R0.45 CCCCCCOCC=O 34a_100000210259_200009817547 [2,0,0,0,0,0|2,0,0]=4 385 B9R0.45 CCCCCCOCC=O 7a_100000210259_200015260668 [2,0,0,0,0,0|2,0,0]=4 386 B9R0.45 CCCCCCSCC=O 62a_100000210314_200015260668 [2,0,0,0,0,0|2,0,0]=4 387 B9R0.45 CCCCCCSCC=O 62a_200015260668_100000210757 [2,0,0,0,0,0|2,0,0]=4 388 B9R0.45 CCCCNCCCC=O 2230a_100000102301_200011292268 [2,0,0,0,0,0|2,0,0]=4 389 B9R0.45 CCCCNCCCC=O 7a_106832991798_200011292268 [2,0,0,0,0,0|2,0,0]=4 390 B9R0.45 CCCCOCCCC=O 7a_100000210227_200011292268 [2,0,0,0,0,0|2,0,0]=4 391 B9R0.45 CCCCSCCCC=O 62a_100000210211_200011292268 [2,0,0,0,0,0|2,0,0]=4 392 B9R0.45 CCCCSCCCC=O 62a_200011292268_100000210210 [2,0,0,0,0,0|2,0,0]=4 393 B9R0.45 CCCSCCCCC=O 62a_100000139335_100000210303 [2,0,0,0,0,0|2,0,0]=4 394 B9R0.45 CCCSCCCCC=O 62a_100000210303_100000139335 [2,0,0,0,0,0|2,0,0]=4 395 B9R0.45 CCNCCCCCC=O 2230a_100015525214_100000139337 [2,0,0,0,0,0|2,0,0]=4 396 B9R0.45 CCSCCCCCC=O 62a_100000139337_100000210202 [2,0,0,0,0,0|2,0,0]=4 397 B9R0.45 CCSCCCCCC=O 62a_100000210202_100000139337 [2,0,0,0,0,0|2,0,0]=4 398 B9R0.45 NCCCCCOCC=O 34a_100000762737_200009817547 [2,0,0,0,0,0|2,0,0]=4 399 B9R0.45 O=CCCCCCSCF 62a_100000139337_100015361967 [2,0,0,0,0,0|2,0,0]=4 400 B9R0.45 O=CCCCCCSCF 62a_100015361967_100000139337 [2,0,0,0,0,0|2,0,0]=4 401 B9R0.45 O=CCCCCNCCO 2230a_100016997473_100000139335 [2,0,0,0,0,0|1,1,0]=4 402 B9R0.45 O=CCCCCSCCF 62a_100000139335_100011217306 [2,0,0,0,0,0|2,0,0]=4 403 B9R0.45 O=CCCCCSCCF 62a_100011217306_100000139335 [2,0,0,0,0,0|2,0,0]=4 404 B9R0.45 O=CCCCCSCCO 62a_100000139335_100000211926 [2,0,0,0,0,0|1,1,0]=4 405 B9R0.45 O=CCCCCSCCO 62a_100000211926_100000139335 [2,0,0,0,0,0|1,1,0]=4 406 B9R0.45 O=CCCCNCCCF 2230a_100015189416_200011292268 [2,0,0,0,0,0|2,0,0]=4 407 B9R0.45 O=CCCCSCCCF 62a_100011934791_200011292268 [2,0,0,0,0,0|2,0,0]=4 408 B9R0.45 O=CCCCSCCCF 62a_200011292268_100011934791 [2,0,0,0,0,0|2,0,0]=4 409 B9R0.45 O=CCCCSCCCO 62a_100011215043_200011292268 [2,0,0,0,0,0|1,1,0]=4 410 B9R0.45 O=CCCCSCCCO 62a_200011292268_100011215043 [2,0,0,0,0,0|1,1,0]=4 411 B9R0.45 O=CCNCCCCCO 2230a_100000762737_200015260668 [2,0,0,0,0,0|1,1,0]=4 412 B9R0.45 O=CCNCCCCCO 34a_100000762737_200009817547 [2,0,0,0,0,0|1,1,0]=4 413 B9R0.45 O=CCOCCCCCBr 34a_100000746331_200009817547 [2,0,0,0,0,0|2,0,0]=4 414 B9R0.45 O=CCOCCCCCBr 7a_100000746331_200015260668 [2,0,0,0,0,0|2,0,0]=4 415 B9R0.45 O=CCOCCCCCCl 34a_100000746330_200009817547 [2,0,0,0,0,0|2,0,0]=4 416 B9R0.45 O=CCOCCCCCCl 7a_100000746330_200015260668 [2,0,0,0,0,0|2,0,0]=4 417 B9R0.45 O=CCOCCCCCI 34a_200012148887_200009817547 [2,0,0,0,0,0|2,0,0]=4 418 B9R0.45 O=CCOCCCCCI 7a_200012148887_200015260668 [2,0,0,0,0,0|2,0,0]=4 419 B9R0.45 O=CCSCCCCCF 62a_100000729378_200015260668 [2,0,0,0,0,0|2,0,0]=4 420 B9R0.45 O=CCSCCCCCF 62a_200015260668_100000729378 [2,0,0,0,0,0|2,0,0]=4 421 B9R0.45 O=CCSCCCCCO 62a_100000746330_200015260668 [2,0,0,0,0,0|1,1,0]=4 422 B9R0.45 O=CCSCCCCCO 62a_200015260668_100000746330 [2,0,0,0,0,0|1,1,0]=4 423 B9R0.46 CCC(C)CCNCC=O 2230a_100020591266_200015260668 [2,0,0,0,0,0|2,0,0]=4 424 B9R0.46 CCC(C)CCOCC=O 7a_100011215188_200015260668 [2,0,0,0,0,0|2,0,0]=4 425 B9R0.46 CCC(C)NCCCC=O 2230a_100000209981_200011292268 [2,0,0,0,0,0|2,0,0]=4 426 B9R0.46 CCC(C)OCCCC=O 7a_100000210228_200011292268 [2,0,0,0,0,0|2,0,0]=4 427 B9R0.46 CCC(C)SCCCC=O 62a_100000758301_200011292268 [2,0,0,0,0,0|2,0,0]=4 428 B9R0.46 CCC(C)SCCCC=O 62a_200011292268_100000758301 [2,0,0,0,0,0|2,0,0]=4 429 B9R0.46 CCN(C)CCCCC=O 2230a_100000225621_100000139335 [2,0,0,0,0,0|2,0,0]=4 430 B9R0.46 CCN(C)CCCCC=O 269982a_100000225621_100000139335 [2,0,0,0,0,0|2,0,0]=4 431 B9R0.2 CC(=O)CCCCCCF 1458a_100000070787_100015922095 [2,0,0,0,0,0|2,0,0]=4 432 B9R0.2 CC(=O)CCCCCCO 1458a_100000070787_100000766143 [2,0,0,0,0,0|1,1,0]=4 433 B9R0.2 CC(=O)CCCCCCO 1458a_100011996774_200000210301 [2,0,0,0,0,0|1,1,0]=4 434 B9R0.2 CCCCCCCC(=O)C 1458a_100000070787_100000210614 [2,0,0,0,0,0|1,0,0]=3 435 B9R0.2 CCCCCCCC(=O)C 1458a_100000211969_200000210301 [2,0,0,0,0,0|1,0,0]=3 436 B9R0.2 CCCCCCCC(=O)[13CH3] 1458a_100000211969_200025704644 [2,0,0,0,0,0|1,0,0]=3 437 B9R0.2 CCCCCCNC(=O)C 11a_100000210581_100015343762 [2,0,0,0,0,0|2,0,0]=4 438 B9R0.2 CCCCCCNC(=O)C 1626a_100000210581_100015343762 [2,0,0,0,0,0|2,0,0]=4 439 B9R0.2 CCCCCCNC(=O)C 240690a_100000210581_100015343762 [2,0,0,0,0,0|2,0,0]=4 440 B9R0.2 CCCCCCNC(=O)C 527a_100000210581_100103153847 [2,0,0,0,0,0|2,0,0]=4 441 B9R0.2 CCCCCNCC(=O)N 2230a_100000209983_100000747473 [2,0,0,0,0,0|2,0,0]=4 442 B9R0.2 CCCCCNCC(=O)N 2230a_100000711301_100000210326 [2,0,0,0,0,0|2,0,0]=4 443 B9R0.2 CCCCCNCC(=O)O 269956a_100016091260_100000210326 [2,0,0,0,0,0|1,0,0]=3 444 B9R0.2 CCCCCOCC(=O)C 34a_100000211253_100000718602 [2,0,0,0,0,0|2,0,0]=4 445 B9R0.2 CCCCCOCC(=O)N 34a_100000210253_100000187820 [2,0,0,0,0,0|2,0,0]=4 446 B9R0.2 CCCCCOCC(=O)N 7a_100000210253_100000187820 [2,0,0,0,0,0|2,0,0]=4 447 B9R0.2 CCCCCOCC(=O)[O-] 34a_100000210253_100020667443 [2,0,0,0,0,0|1,0,1]=4 448 B9R0.2 CCCCCSCC(=O)N 62a_100000210326_100000747473 [2,0,0,0,0,0|2,0,0]=4 449 B9R0.2 CCCCCSCC(=O)N 62a_100000747473_100000210326 [2,0,0,0,0,0|2,0,0]=4 450 B9R0.2 CCCCCSCC(=O)[O-] 62a_100000210326_100020667443 [2,0,0,0,0,0|1,0,1]=4 451 B9R0.2 CCCCCSCC(=O)[O-] 62a_100020667443_100000210326 [2,0,0,0,0,0|1,0,1]=4 452 B9R0.2 CCCCNCCC(=O)C 7a_106832991798_100000053229 [2,0,0,0,0,0|2,0,0]=4 453 B9R0.2 CCCCNCCC(=O)N 2230a_100000102301_100000744528 [2,0,0,0,0,0|2,0,0]=4 454 B9R0.2 CCCCNCCC(=O)N 7a_106832991798_100000744528 [2,0,0,0,0,0|2,0,0]=4 455 B9R0.2 CCCCNOCC(=O)O 269956a_100000106656_100000210211 [2,0,0,0,0,0|2,0,0]=4 456 B9R0.2 CCCCOCCC(=O)C 1458a_100000070787_100000743108 [2,0,0,0,0,0|2,0,0]=4 457 B9R0.2 CCCCOCCC(=O)C 34a_100000759926_100000210210 [2,0,0,0,0,0|2,0,0]=4 458 B9R0.2 CCCCOCCC(=O)C 7a_100000210227_100000053229 [2,0,0,0,0,0|2,0,0]=4 459 B9R0.2 CCCCOCCC(=O)C 7a_100000759926_100000210211 [2,0,0,0,0,0|2,0,0]=4 460 B9R0.2 CCCCOCCC(=O)N 34a_100000210227_100000731001 [2,0,0,0,0,0|2,0,0]=4 461 B9R0.2 CCCCOCCC(=O)N 34a_100000757172_100000210210 [2,0,0,0,0,0|2,0,0]=4 462 B9R0.2 CCCCOCCC(=O)N 7a_100000210227_100000744528 [2,0,0,0,0,0|2,0,0]=4 463 B9R0.2 CCCCOCCC(=O)N 7a_100000757172_100000210211 [2,0,0,0,0,0|2,0,0]=4 464 B9R0.2 CCCCSCCC(=O)C 62a_100000053229_100000210210 [2,0,0,0,0,0|2,0,0]=4 465 B9R0.2 CCCCSCCC(=O)C 62a_100000210211_100000053229 [2,0,0,0,0,0|2,0,0]=4 466 B9R0.2 CCCCSCCC(=O)N 62a_100000210211_100000744528 [2,0,0,0,0,0|2,0,0]=4 467 B9R0.2 CCCCSCCC(=O)N 62a_100000744528_100000210210 [2,0,0,0,0,0|2,0,0]=4 468 B9R0.2 CCCNCCCC(=O)N 34a_100000739312_100000210303 [2,0,0,0,0,0|2,0,0]=4 469 B9R0.2 CCCOCCCC(=O)C 34a_100000210258_100000685027 [2,0,0,0,0,0|2,0,0]=4 470 B9R0.2 CCCOCCCC(=O)C 34a_100000759063_100000210303 [2,0,0,0,0,0|2,0,0]=4 471 B9R0.2 CCCOCCCC(=O)C 7a_100000759063_100000210303 [2,0,0,0,0,0|2,0,0]=4 472 B9R0.2 CCCOCCCC(=O)N 34a_100000210258_100102525003 [2,0,0,0,0,0|2,0,0]=4 473 B9R0.2 CCCSCCCC(=O)C 62a_100000210303_100011215641 [2,0,0,0,0,0|2,0,0]=4 474 B9R0.2 CCCSCCCC(=O)C 62a_100011215641_100000210303 [2,0,0,0,0,0|2,0,0]=4 475 B9R0.2 CCCSCCCC(=O)N 62a_100000210303_100102525003 [2,0,0,0,0,0|2,0,0]=4 476 B9R0.2 CCCSCCCC(=O)N 62a_100102525003_100000210303 [2,0,0,0,0,0|2,0,0]=4 477 B9R0.2 CCNCCCCC(=O)N 34a_100000696515_100000210202 [2,0,0,0,0,0|2,0,0]=4 478 B9R0.2 CCNCCOCC(=O)O 269956a_100000700818_100000210202 [2,0,0,0,0,0|2,0,0]=4 479 B9R0.2 CCOCCCCC(=O)C 34a_100121572206_100009817362 [2,0,0,0,0,0|2,0,0]=4 480 B9R0.2 CCOCCCCC(=O)N 34a_100012022536_100000210202 [2,0,0,0,0,0|2,0,0]=4 481 B9R0.2 CCOCCCCC(=O)N 7a_100012022536_100000210202 [2,0,0,0,0,0|2,0,0]=4 482 B9R0.2 CCOCCNCC(=O)O 269956a_100016091260_100000210147 [2,0,0,0,0,0|2,0,0]=4 483 B9R0.2 CCSCCCCC(=O)C 62a_100000210202_100000735457 [2,0,0,0,0,0|2,0,0]=4 484 B9R0.2 CCSCCCCC(=O)C 62a_100000735457_100000210202 [2,0,0,0,0,0|2,0,0]=4 485 B9R0.2 CCSCCNCC(=O)O 269956a_100016091260_100000757381 [2,0,0,0,0,0|2,0,0]=4 486 B9R0.2 CNCCCCCC(=O)N 2230a_106832991635_100009817443 [2,0,0,0,0,0|2,0,0]=4 487 B9R0.2 CNCCCCCC(=O)N 34a_100102657272_100009817443 [2,0,0,0,0,0|2,0,0]=4 488 B9R0.2 CNCCCCCC(=O)N 7a_106832991635_100009817443 [2,0,0,0,0,0|2,0,0]=4 489 B9R0.2 COCCCCCC(=O)C 1458a_100011935119_200000210301 [2,0,0,0,0,0|2,0,0]=4 490 B9R0.2 COCCCCCC(=O)N 34a_100000123541_200000210301 [2,0,0,0,0,0|2,0,0]=4 491 B9R0.2 COCCCCCC(=O)N 34a_100138415774_100009817443 [2,0,0,0,0,0|2,0,0]=4 492 B9R0.2 COCCCCCC(=O)N 7a_100000123541_200000210301 [2,0,0,0,0,0|2,0,0]=4 493 B9R0.2 COCCCCCC(=O)[13CH3] 1458a_100011935119_200025704644 [2,0,0,0,0,0|2,0,0]=4 494 B9R0.2 COCCCCCC(=O)[O-] 7a_100102619762_200000210301 [2,0,0,0,0,0|1,0,1]=4 495 B9R0.2 COCCCNCC(=O)O 269956a_100016091260_100000740836 [2,0,0,0,0,0|2,0,0]=4 496 B9R0.2 CSCCCCCC(=O)N 62a_100009817443_200000210301 [2,0,0,0,0,0|2,0,0]=4 497 B9R0.2 CSCCCCCC(=O)N 62a_200000210301_100009817443 [2,0,0,0,0,0|2,0,0]=4 498 B9R0.2 O=C(O)CNCCCCF 269956a_100016091260_100000729493 [2,0,0,0,0,0|2,0,0]=4 499 B9R0.2 O=C(O)CNCCCCO 269956a_100016091260_100000210776 [2,0,0,0,0,0|1,1,0]=4 500 B9R0.2 [13CH3]C(=O)CCCCCCO 1458a_100011996774_200025704644 [2,0,0,0,0,0|1,1,0]=4 501 B9R0.2 [13CH3]OCCCCCC(=O)N 34a_100000123541_200025704644 [2,0,0,0,0,0|2,0,0]=4 502 B9R0.2 [13CH3]OCCCCCC(=O)N 7a_100000123541_200025704644 [2,0,0,0,0,0|2,0,0]=4 503 B9R0.2 [13CH3]OCCCCCC(=O)[O-] 7a_100102619762_200025704644 [2,0,0,0,0,0|1,0,1]=4 504 B9R0.2 [13CH3]SCCCCCC(=O)N 62a_100009817443_200025704644 [2,0,0,0,0,0|2,0,0]=4 505 B9R0.2 [13CH3]SCCCCCC(=O)N 62a_200025704644_100009817443 [2,0,0,0,0,0|2,0,0]=4 506 B9R0.55 CC(=O)CCCCC(C)C 1458a_100000070787_100011216152 [2,0,0,0,0,0|2,0,0]=4 507 B9R0.55 CC(=O)CCCCC(C)C 1458a_100011933920_200000210301 [2,0,0,0,0,0|2,0,0]=4 508 B9R0.55 CC(C)CCCCC(=O)[13CH3] 1458a_100011933920_200025704644 [2,0,0,0,0,0|2,0,0]=4 509 B9R0.55 CC(C)CCNCC(=O)O 269956a_100016091260_100000210312 [2,0,0,0,0,0|2,0,0]=4 510 B9R0.55 CC(O)CCNCC(=O)O 269956a_100016091260_100012276601 [2,0,0,0,0,0|1,1,0]=4 511 B11R0.4 CC(CCO)SCCCCC=O 62a_100000139335_100009893172 [1,1,0,0,0,0|1,1,0]=4 512 B11R0.4 CC(CCO)SCCCCC=O 62a_100009893172_100000139335 [1,1,0,0,0,0|1,1,0]=4 513 B11R0.4 CCCC(C)CCCOCC=O 34a_100011713154_200009817547 [1,1,0,0,0,0|2,0,0]=4 514 B11R0.4 CCCC(C)CCCOCC=O 7a_100011713154_200015260668 [1,1,0,0,0,0|2,0,0]=4 515 B11R0.4 CCCC(C)COCCCC=O 7a_100000688023_200011292268 [1,1,0,0,0,0|2,0,0]=4 516 B11R0.4 CCCC(C)CSCCCC=O 62a_100011216630_200011292268 [1,1,0,0,0,0|2,0,0]=4 517 B11R0.4 CCCC(C)CSCCCC=O 62a_200011292268_100011216630 [1,1,0,0,0,0|2,0,0]=4 518 B11R0.4 CCCC(C)NCCCCC=O 2230a_100000741246_100000139335 [1,1,0,0,0,0|2,0,0]=4 519 B11R0.4 CCCC(C)OCCCCC=O 7a_100000764384_100000139335 [1,1,0,0,0,0|2,0,0]=4 520 B11R0.4 CCCC(C)SCCCCC=O 62a_100000139335_100000766640 [1,1,0,0,0,0|2,0,0]=4 521 B11R0.4 CCCC(C)SCCCCC=O 62a_100000766640_100000139335 [1,1,0,0,0,0|2,0,0]=4 522 B11R0.4 C[C@H](CCO)NCCCCC=O 2230a_100000706166_100000139335 [1,1,0,0,0,0|1,1,0]=4 523 B11R0.81 CSCCN(C)CCCCC=O 2230a_100000686725_100000139335 [1,1,0,0,0,0|2,0,0]=4 524 B11R0.81 CSCCN(C)CCCCC=O 269982a_100000686725_100000139335 [1,1,0,0,0,0|2,0,0]=4 525 B11R0.161 CCCC(CCOCC=O)SC 34a_100000032865_200009817547 [1,1,0,0,0,0|2,0,0]=4 526 B11R0.161 CCCC(CCOCC=O)SC 7a_100000032865_200015260668 [1,1,0,0,0,0|2,0,0]=4 527 B11R0.30 CC(=O)CCCCCCC(C)C 1458a_100000040743_200000210301 [1,1,0,0,0,0|2,0,0]=4 528 B11R0.30 CC(C)CCCCCCC(=O)[13CH3] 1458a_100000040743_200025704644 [1,1,0,0,0,0|2,0,0]=4 529 B11R0.30 CC(C)CCCCNCC(=O)O 269956a_100016091260_100011216152 [1,1,0,0,0,0|2,0,0]=4 530 B11R0.40 C#CC(=O)CCCCCCCC 1458a_100000211873_100000210759 [1,1,0,0,0,0|2,0,0]=4 531 B11R0.40 C#CC(=O)CCCCCCCO 1458a_100000211873_100000760002 [1,1,0,0,0,0|1,1,0]=4 532 B11R0.40 C#CCCCCCCC(=O)CO 1458a_100000210174_100012276617 [1,1,0,0,0,0|1,0,1]=4 533 B11R0.40 C=CC(=O)CCCCCCCC 1458a_100000185746_100000210759 [1,1,0,0,0,0|2,0,0]=4 534 B11R0.40 C=CC(=O)CCCCCCCO 1458a_100000185746_100000760002 [1,1,0,0,0,0|1,1,0]=4 535 B11R0.40 C=CCCCCCCC(=O)CO 1458a_100000210174_100011215473 [1,1,0,0,0,0|1,0,1]=4 536 B11R0.40 CCC(=O)CCCCCCCO 1458a_100000210414_100000760002 [1,1,0,0,0,0|1,1,0]=4 537 B11R0.40 CCC(=O)CCCCCCCO 1458a_100011219782_100000210202 [1,1,0,0,0,0|1,1,0]=4 538 B11R0.40 CCCCCCCCC(=O)CC 1458a_100000210188_100000210202 [1,1,0,0,0,0|2,0,0]=4 539 B11R0.40 CCCCCCCCC(=O)CC 1458a_100000210414_100000210759 [1,1,0,0,0,0|2,0,0]=4 540 B11R0.40 CCCCCCCCC(=O)CF 1458a_100000210188_100015361967 [1,1,0,0,0,0|2,0,0]=4 541 B11R0.40 CCCCCCCCC(=O)CO 1458a_100000210174_100000210759 [1,1,0,0,0,0|1,0,0]=3 542 B11R0.40 CCCCCCCCC(=O)NC 11a_106832991635_100000210188 [1,1,0,0,0,0|2,0,0]=4 543 B11R0.40 CCCCCCCCC(=O)NC 1626a_100102657272_100000210188 [1,1,0,0,0,0|2,0,0]=4 544 B11R0.40 CCCCCCCCC(=O)NC 240690a_100102657272_100000210188 [1,1,0,0,0,0|2,0,0]=4 545 B11R0.40 CCCCCCCCC(=O)NC 527a_100102657272_100000210188 [1,1,0,0,0,0|2,0,0]=4 546 B11R0.40 CCCCCCCNC(=O)CO 240690a_100000229938_100000210174 [1,1,0,0,0,0|2,0,0]=4 547 B11R0.40 CCCCCCCNC(=O)CO 527a_100000229938_100000210174 [1,1,0,0,0,0|2,0,0]=4 548 B11R0.40 CCCCCCNCC(=O)OC 2230a_100000210581_100000747449 [1,1,0,0,0,0|2,0,0]=4 549 B11R0.40 CCCCCCOCC(=O)OC 34a_100000210259_100000747449 [1,1,0,0,0,0|2,0,0]=4 550 B11R0.40 CCCCCCOCC(=O)OC 7a_100000210259_100000747449 [1,1,0,0,0,0|2,0,0]=4 551 B11R0.40 CCCCCCSCC(=O)OC 62a_100000210314_100000747449 [1,1,0,0,0,0|2,0,0]=4 552 B11R0.40 CCCCCCSCC(=O)OC 62a_100000747449_100000210757 [1,1,0,0,0,0|2,0,0]=4 553 B11R0.40 CCCCCNCCC(=O)OC 2230a_100000209983_100000204255 [1,1,0,0,0,0|2,0,0]=4 554 B11R0.40 CCCCCOCCC(=O)OC 34a_100000210253_100000742370 [1,1,0,0,0,0|2,0,0]=4 555 B11R0.40 CCCCCOCCC(=O)OC 7a_100000210253_100000204255 [1,1,0,0,0,0|2,0,0]=4 556 B11R0.40 CCCCCSCCC(=O)OC 62a_100000204255_100000210326 [1,1,0,0,0,0|2,0,0]=4 557 B11R0.40 CCCCCSCCC(=O)OC 62a_100000210326_100000204255 [1,1,0,0,0,0|2,0,0]=4 558 B11R0.40 CCCCNCCCC(=O)OC 2230a_100000102301_100011218270 [1,1,0,0,0,0|2,0,0]=4 559 B11R0.40 CCCCNCCCC(=O)OC 7a_106832991798_100011218270 [1,1,0,0,0,0|2,0,0]=4 560 B11R0.40 CCCCOCCCC(=O)OC 34a_100000210227_100000742333 [1,1,0,0,0,0|2,0,0]=4 561 B11R0.40 CCCCOCCCC(=O)OC 7a_100000210227_100011218270 [1,1,0,0,0,0|2,0,0]=4 562 B11R0.40 CCCCSCCCC(=O)OC 62a_100000210211_100011218270 [1,1,0,0,0,0|2,0,0]=4 563 B11R0.40 CCCCSCCCC(=O)OC 62a_100011218270_100000210210 [1,1,0,0,0,0|2,0,0]=4 564 B11R0.40 CCCOCCCCC(=O)OC 34a_100000059025_100000210303 [1,1,0,0,0,0|2,0,0]=4 565 B11R0.40 CCCOCCCCC(=O)OC 34a_100000210258_100000204269 [1,1,0,0,0,0|2,0,0]=4 566 B11R0.40 CCCOCCCCC(=O)OC 7a_100000059025_100000210303 [1,1,0,0,0,0|2,0,0]=4 567 B11R0.40 CCCSCCCCC(=O)OC 62a_100000204269_100000210303 [1,1,0,0,0,0|2,0,0]=4 568 B11R0.40 CCCSCCCCC(=O)OC 62a_100000210303_100000204269 [1,1,0,0,0,0|2,0,0]=4 569 B11R0.40 CCNCCCCCC(=O)OC 2230a_100015525214_100009816466 [1,1,0,0,0,0|2,0,0]=4 570 B11R0.40 CCOCCCCCC(=O)OC 34a_100000074720_100000210202 [1,1,0,0,0,0|2,0,0]=4 571 B11R0.40 CCOCCCCCC(=O)OC 34a_100121572206_100009816466 [1,1,0,0,0,0|2,0,0]=4 572 B11R0.40 CCOCCCCCC(=O)OC 7a_100000074720_100000210202 [1,1,0,0,0,0|2,0,0]=4 573 B11R0.40 CCSCCCCCC(=O)OC 62a_100000210202_100009816466 [1,1,0,0,0,0|2,0,0]=4 574 B11R0.40 CCSCCCCCC(=O)OC 62a_100009816466_100000210202 [1,1,0,0,0,0|2,0,0]=4 575 B11R0.40 CNC(=O)CCCCCCCO 240690a_100102657272_100011219782 [1,1,0,0,0,0|1,1,0]=4 576 B11R0.40 CNCCCCCCC(=O)OC 2230a_106832991635_100009815986 [1,1,0,0,0,0|2,0,0]=4 577 B11R0.40 CNCCCCCCC(=O)OC 34a_100102657272_100009815986 [1,1,0,0,0,0|2,0,0]=4 578 B11R0.40 CNCCCCCCC(=O)OC 7a_106832991635_100009815986 [1,1,0,0,0,0|2,0,0]=4 579 B11R0.40 COC(=O)CCCCCCO[13CH3] 34a_100009863599_200025704644 [1,1,0,0,0,0|2,0,0]=4 580 B11R0.40 COC(=O)CCCCCCO[13CH3] 7a_100009863599_200025704644 [1,1,0,0,0,0|2,0,0]=4 581 B11R0.40 COC(=O)CCCCCCSC 62a_100009815986_200000210301 [1,1,0,0,0,0|2,0,0]=4 582 B11R0.40 COC(=O)CCCCCCSC 62a_200000210301_100009815986 [1,1,0,0,0,0|2,0,0]=4 583 B11R0.40 COC(=O)CCCCCCS[13CH3] 62a_100009815986_200025704644 [1,1,0,0,0,0|2,0,0]=4 584 B11R0.40 COC(=O)CCCCCCS[13CH3] 62a_200025704644_100009815986 [1,1,0,0,0,0|2,0,0]=4 585 B11R0.40 COC(=O)CCCCCOCF 34a_100000074720_100015361967 [1,1,0,0,0,0|2,0,0]=4 586 B11R0.40 COC(=O)CCCCCOCF 7a_100000074720_100015361967 [1,1,0,0,0,0|2,0,0]=4 587 B11R0.40 COC(=O)CCCCCSCF 62a_100009816466_100015361967 [1,1,0,0,0,0|2,0,0]=4 588 B11R0.40 COC(=O)CCCCCSCF 62a_100015361967_100009816466 [1,1,0,0,0,0|2,0,0]=4 589 B11R0.40 COC(=O)CCCCNCCF 34a_100000724931_100000204269 [1,1,0,0,0,0|2,0,0]=4 590 B11R0.40 COC(=O)CCCCNCCO 2230a_100016997473_100000204269 [1,1,0,0,0,0|1,1,0]=4 591 B11R0.40 COC(=O)CCCCNCCO 34a_100016990907_100000204269 [1,1,0,0,0,0|1,1,0]=4 592 B11R0.40 COC(=O)CCCCOCCBr 34a_100000211926_100000204269 [1,1,0,0,0,0|2,0,0]=4 593 B11R0.40 COC(=O)CCCCOCCF 34a_100000059025_100011217306 [1,1,0,0,0,0|2,0,0]=4 594 B11R0.40 COC(=O)CCCCOCCF 7a_100000059025_100011217306 [1,1,0,0,0,0|2,0,0]=4 595 B11R0.40 COC(=O)CCCCOCCN 34a_100000210304_100000204269 [1,1,0,0,0,0|2,0,0]=4 596 B11R0.40 COC(=O)CCCCOCCO 34a_100000059025_100000211926 [1,1,0,0,0,0|1,1,0]=4 597 B11R0.40 COC(=O)CCCCOCCO 7a_100000059025_100000211926 [1,1,0,0,0,0|1,1,0]=4 598 B11R0.40 COC(=O)CCCCSCCF 62a_100000204269_100011217306 [1,1,0,0,0,0|2,0,0]=4 599 B11R0.40 COC(=O)CCCCSCCF 62a_100011217306_100000204269 [1,1,0,0,0,0|2,0,0]=4 600 B11R0.40 COC(=O)CCCCSCCO 62a_100000204269_100000211926 [1,1,0,0,0,0|1,1,0]=4 601 B11R0.40 COC(=O)CCCCSCCO 62a_100000211926_100000204269 [1,1,0,0,0,0|1,1,0]=4 602 B11R0.40 COC(=O)CCCNCCCF 2230a_100015189416_100011218270 [1,1,0,0,0,0|2,0,0]=4 603 B11R0.40 COC(=O)CCCNCCCF 34a_100015189416_100000742333 [1,1,0,0,0,0|2,0,0]=4 604 B11R0.40 COC(=O)CCCOCCCBr 34a_100011217188_100000742333 [1,1,0,0,0,0|2,0,0]=4 605 B11R0.40 COC(=O)CCCOCCCCl 34a_100000230001_100000742333 [1,1,0,0,0,0|2,0,0]=4 606 B11R0.40 COC(=O)CCCOCCCF 34a_100000759539_100000742333 [1,1,0,0,0,0|2,0,0]=4 607 B11R0.40 COC(=O)CCCOCCCN 34a_100000182051_100000742333 [1,1,0,0,0,0|2,0,0]=4 608 B11R0.40 COC(=O)CCCSCCCF 62a_100011218270_100011934791 [1,1,0,0,0,0|2,0,0]=4 609 B11R0.40 COC(=O)CCCSCCCF 62a_100011934791_100011218270 [1,1,0,0,0,0|2,0,0]=4 610 B11R0.40 COC(=O)CCCSCCCO 62a_100011215043_100011218270 [1,1,0,0,0,0|1,1,0]=4 611 B11R0.40 COC(=O)CCCSCCCO 62a_100011218270_100011215043 [1,1,0,0,0,0|1,1,0]=4 612 B11R0.40 COC(=O)CCNCCCCO 2230a_100000750430_100000204255 [1,1,0,0,0,0|1,1,0]=4 613 B11R0.40 COC(=O)CCNCCCCO 34a_100000750430_100000742370 [1,1,0,0,0,0|1,1,0]=4 614 B11R0.40 COC(=O)CCOCCCCBr 34a_100011216708_100000742370 [1,1,0,0,0,0|2,0,0]=4 615 B11R0.40 COC(=O)CCOCCCCCl 34a_100000210776_100000742370 [1,1,0,0,0,0|2,0,0]=4 616 B11R0.40 COC(=O)CCOCCCCCl 7a_100000210776_100000204255 [1,1,0,0,0,0|2,0,0]=4 617 B11R0.40 COC(=O)CCOCCCCF 34a_100011995726_100000742370 [1,1,0,0,0,0|2,0,0]=4 618 B11R0.40 COC(=O)CCOCCCCF 7a_100011995726_100000204255 [1,1,0,0,0,0|2,0,0]=4 619 B11R0.40 COC(=O)CCOCCCCI 34a_200012148704_100000742370 [1,1,0,0,0,0|2,0,0]=4 620 B11R0.40 COC(=O)CCOCCCCN 34a_100000750430_100000742370 [1,1,0,0,0,0|2,0,0]=4 621 B11R0.40 COC(=O)CCSCCCCF 62a_100000204255_100000729493 [1,1,0,0,0,0|2,0,0]=4 622 B11R0.40 COC(=O)CCSCCCCF 62a_100000729493_100000204255 [1,1,0,0,0,0|2,0,0]=4 623 B11R0.40 COC(=O)CCSCCCCO 62a_100000204255_100000210776 [1,1,0,0,0,0|1,1,0]=4 624 B11R0.40 COC(=O)CCSCCCCO 62a_100000210776_100000204255 [1,1,0,0,0,0|1,1,0]=4 625 B11R0.40 COC(=O)CNCCCCCO 2230a_100000762737_100000747449 [1,1,0,0,0,0|1,1,0]=4 626 B11R0.40 COC(=O)CNCCCCCO 34a_100000762737_100000747449 [1,1,0,0,0,0|1,1,0]=4 627 B11R0.40 COC(=O)COCCCCCBr 34a_100000746331_100000747449 [1,1,0,0,0,0|2,0,0]=4 628 B11R0.40 COC(=O)COCCCCCBr 7a_100000746331_100000747449 [1,1,0,0,0,0|2,0,0]=4 629 B11R0.40 COC(=O)COCCCCCCl 34a_100000746330_100000747449 [1,1,0,0,0,0|2,0,0]=4 630 B11R0.40 COC(=O)COCCCCCCl 7a_100000746330_100000747449 [1,1,0,0,0,0|2,0,0]=4 631 B11R0.40 COC(=O)COCCCCCI 34a_200012148887_100000747449 [1,1,0,0,0,0|2,0,0]=4 632 B11R0.40 COC(=O)COCCCCCI 7a_200012148887_100000747449 [1,1,0,0,0,0|2,0,0]=4 633 B11R0.40 COC(=O)COCCCCCN 34a_100000762737_100000747449 [1,1,0,0,0,0|2,0,0]=4 634 B11R0.40 COC(=O)CSCCCCCF 62a_100000729378_100000747449 [1,1,0,0,0,0|2,0,0]=4 635 B11R0.40 COC(=O)CSCCCCCF 62a_100000747449_100000729378 [1,1,0,0,0,0|2,0,0]=4 636 B11R0.40 COC(=O)CSCCCCCO 62a_100000746330_100000747449 [1,1,0,0,0,0|1,1,0]=4 637 B11R0.40 COC(=O)CSCCCCCO 62a_100000747449_100000746330 [1,1,0,0,0,0|1,1,0]=4 638 B11R0.40 COCCCCCCC(=O)CO 1458a_100000210174_100011998445 [1,1,0,0,0,0|2,0,0]=4 639 B11R0.40 COCCCCCCC(=O)OC 34a_100009863599_200000210301 [1,1,0,0,0,0|2,0,0]=4 640 B11R0.40 COCCCCCCC(=O)OC 34a_100138415774_100009815986 [1,1,0,0,0,0|2,0,0]=4 641 B11R0.40 COCCCCCCC(=O)OC 7a_100009863599_200000210301 [1,1,0,0,0,0|2,0,0]=4 642 B11R0.40 N#CCCCCCCC(=O)CO 1458a_100000210174_100009813337 [1,1,0,0,0,0|1,0,1]=4 643 B11R0.40 O=C(CF)CCCCCCCO 1458a_100011219782_100015361967 [1,1,0,0,0,0|1,1,0]=4 644 B11R0.40 O=C(CO)CCCCCCCO 1458a_100000210174_100000760002 [1,1,0,0,0,0|0,1,0]=3 645 B11R0.40 O=C(CO)NCCCCCCO 240690a_100000686447_100000210174 [1,1,0,0,0,0|1,1,0]=4 646 B11R0.40 O=C(CO)NCCCCCCO 527a_100000686447_100000210174 [1,1,0,0,0,0|1,1,0]=4 647 B11R0.42 CC(CNCCCCF)C(=O)O 269956a_100000749485_100000729493 [1,1,0,0,0,0|2,0,0]=4 648 B11R0.42 CC(CNCCCCO)C(=O)O 269956a_100000749485_100000210776 [1,1,0,0,0,0|1,1,0]=4 649 B11R0.42 CCCCCCCC(C)C(=O)C 1458a_100000070787_200011218727 [1,1,0,0,0,0|2,0,0]=4 650 B11R0.42 CCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210757 [1,1,0,0,0,0|2,0,0]=4 651 B11R0.42 CCCCCNCC(C)C(=O)O 269956a_100000749485_100000210326 [1,1,0,0,0,0|2,0,0]=4 652 B11R0.42 CCCCCNCC(F)C(=O)O 269956a_100000084737_100000210326 [1,1,0,0,0,0|2,0,0]=4 653 B11R0.42 C[C@H](NCCCCCF)C(=O)O 269956a_100000743915_100000729378 [1,1,0,0,0,0|2,0,0]=4 654 B11R0.42 C[C@H](NCCCCCO)C(=O)O 269956a_100000743915_100000746330 [1,1,0,0,0,0|1,1,0]=4 655 B11R0.42 O=C(O)C(F)CNCCCCF 269956a_100000084737_100000729493 [1,1,0,0,0,0|2,0,0]=4 656 B11R0.42 O=C(O)C(F)CNCCCCO 269956a_100000084737_100000210776 [1,1,0,0,0,0|1,1,0]=4 657 B11R0.46 CCCCCC(C)CCC(=O)C 1458a_100000034243_200000210301 [1,1,0,0,0,0|2,0,0]=4 658 B11R0.46 CCCCCC(C)CCC(=O)[13CH3] 1458a_100000034243_200025704644 [1,1,0,0,0,0|2,0,0]=4 659 B11R0.46 CCCCCC(C)NCC(=O)O 269956a_100016091260_200011218191 [1,1,0,0,0,0|2,0,0]=4 660 B11R0.147 CCCCN(C)CCCC(=O)O 269956a_100000719178_100000210211 [1,1,0,0,0,0|2,0,0]=4 661 B11R0.147 CN(CCCF)CCCC(=O)O 269956a_100000719178_100011934791 [1,1,0,0,0,0|2,0,0]=4 662 B11R0.147 CN(CCCO)CCCC(=O)O 269956a_100000719178_100011215043 [1,1,0,0,0,0|1,1,0]=4 663 B11R0.148 C#CCCCCCCCC(=O)C 1458a_100000070787_100153394163 [1,1,0,0,0,0|2,0,0]=4 664 B11R0.148 C#CCCCCCCCC(=O)C 1458a_100000087357_200000210301 [1,1,0,0,0,0|2,0,0]=4 665 B11R0.148 C#CCCCCCCCC(=O)[13CH3] 1458a_100000087357_200025704644 [1,1,0,0,0,0|2,0,0]=4 666 B11R0.148 C#CCCCCCNCC(=O)O 269956a_100016091260_100012094781 [1,1,0,0,0,0|1,0,1]=4 667 B11R0.148 C=CCCCCCCCC(=O)C 1458a_100000070787_100012355270 [1,1,0,0,0,0|2,0,0]=4 668 B11R0.148 C=CCCCCCCCC(=O)C 1458a_100011216160_200000210301 [1,1,0,0,0,0|2,0,0]=4 669 B11R0.148 C=CCCCCCCCC(=O)[13CH3] 1458a_100011216160_200025704644 [1,1,0,0,0,0|2,0,0]=4 670 B11R0.148 C=CCCCCCNCC(=O)O 269956a_100016091260_100000700193 [1,1,0,0,0,0|1,0,1]=4 671 B11R0.148 CC(=O)CCCCCCCCO 1458a_100000070787_100000033203 [1,1,0,0,0,0|1,1,0]=4 672 B11R0.148 CC(=O)CCCCNCCCF 34a_100015189416_100009817362 [1,1,0,0,0,0|2,0,0]=4 673 B11R0.148 CC(=O)CCCCOCCCBr 34a_100011217188_100009817362 [1,1,0,0,0,0|2,0,0]=4 674 B11R0.148 CC(=O)CCCCOCCCCl 34a_100000230001_100009817362 [1,1,0,0,0,0|2,0,0]=4 675 B11R0.148 CC(=O)CCCCOCCCF 34a_100000759539_100009817362 [1,1,0,0,0,0|2,0,0]=4 676 B11R0.148 CC(=O)CCCCOCCCN 34a_100000182051_100009817362 [1,1,0,0,0,0|2,0,0]=4 677 B11R0.148 CC(=O)CCCCSCCCF 62a_100000735457_100011934791 [1,1,0,0,0,0|2,0,0]=4 678 B11R0.148 CC(=O)CCCCSCCCF 62a_100011934791_100000735457 [1,1,0,0,0,0|2,0,0]=4 679 B11R0.148 CC(=O)CCCCSCCCO 62a_100000735457_100011215043 [1,1,0,0,0,0|1,1,0]=4 680 B11R0.148 CC(=O)CCCCSCCCO 62a_100011215043_100000735457 [1,1,0,0,0,0|1,1,0]=4 681 B11R0.148 CC(=O)CCCNCCCCO 34a_100000750430_100000685027 [1,1,0,0,0,0|1,1,0]=4 682 B11R0.148 CC(=O)CCCOCCCCBr 34a_100011216708_100000685027 [1,1,0,0,0,0|2,0,0]=4 683 B11R0.148 CC(=O)CCCOCCCCCl 34a_100000210776_100000685027 [1,1,0,0,0,0|2,0,0]=4 684 B11R0.148 CC(=O)CCCOCCCCCl 7a_100000210776_100011215641 [1,1,0,0,0,0|2,0,0]=4 685 B11R0.148 CC(=O)CCCOCCCCF 34a_100000759063_100000729493 [1,1,0,0,0,0|2,0,0]=4 686 B11R0.148 CC(=O)CCCOCCCCF 34a_100011995726_100000685027 [1,1,0,0,0,0|2,0,0]=4 687 B11R0.148 CC(=O)CCCOCCCCF 7a_100000759063_100000729493 [1,1,0,0,0,0|2,0,0]=4 688 B11R0.148 CC(=O)CCCOCCCCF 7a_100011995726_100011215641 [1,1,0,0,0,0|2,0,0]=4 689 B11R0.148 CC(=O)CCCOCCCCI 34a_200012148704_100000685027 [1,1,0,0,0,0|2,0,0]=4 690 B11R0.148 CC(=O)CCCOCCCCN 34a_100000750430_100000685027 [1,1,0,0,0,0|2,0,0]=4 691 B11R0.148 CC(=O)CCCOCCCCO 34a_100000759063_100011216708 [1,1,0,0,0,0|1,1,0]=4 692 B11R0.148 CC(=O)CCCOCCCCO 7a_100000759063_100000210776 [1,1,0,0,0,0|1,1,0]=4 693 B11R0.148 CC(=O)CCCSCCCCF 62a_100000729493_100011215641 [1,1,0,0,0,0|2,0,0]=4 694 B11R0.148 CC(=O)CCCSCCCCF 62a_100011215641_100000729493 [1,1,0,0,0,0|2,0,0]=4 695 B11R0.148 CC(=O)CCCSCCCCO 62a_100000210776_100011215641 [1,1,0,0,0,0|1,1,0]=4 696 B11R0.148 CC(=O)CCCSCCCCO 62a_100011215641_100000210776 [1,1,0,0,0,0|1,1,0]=4 697 B11R0.148 CC(=O)CCOCCCCCBr 7a_100000746331_100000053229 [1,1,0,0,0,0|2,0,0]=4 698 B11R0.148 CC(=O)CCOCCCCCCl 7a_100000746330_100000053229 [1,1,0,0,0,0|2,0,0]=4 699 B11R0.148 CC(=O)CCOCCCCCF 34a_100000759926_100000729378 [1,1,0,0,0,0|2,0,0]=4 700 B11R0.148 CC(=O)CCOCCCCCF 7a_100000759926_100000729378 [1,1,0,0,0,0|2,0,0]=4 701 B11R0.148 CC(=O)CCOCCCCCI 7a_200012148887_100000053229 [1,1,0,0,0,0|2,0,0]=4 702 B11R0.148 CC(=O)CCOCCCCCO 34a_100000759926_100000746330 [1,1,0,0,0,0|1,1,0]=4 703 B11R0.148 CC(=O)CCOCCCCCO 7a_100000759926_100000746330 [1,1,0,0,0,0|1,1,0]=4 704 B11R0.148 CC(=O)CCSCCCCCF 62a_100000053229_100000729378 [1,1,0,0,0,0|2,0,0]=4 705 B11R0.148 CC(=O)CCSCCCCCF 62a_100000729378_100000053229 [1,1,0,0,0,0|2,0,0]=4 706 B11R0.148 CC(=O)CCSCCCCCO 62a_100000053229_100000746330 [1,1,0,0,0,0|1,1,0]=4 707 B11R0.148 CC(=O)CCSCCCCCO 62a_100000746330_100000053229 [1,1,0,0,0,0|1,1,0]=4 708 B11R0.148 CC(=O)COCCCCCCF 34a_100000211253_100015922095 [1,1,0,0,0,0|2,0,0]=4 709 B11R0.148 CC(=O)COCCCCCCO 34a_100000211253_100000766143 [1,1,0,0,0,0|1,1,0]=4 710 B11R0.148 CC(=O)NCCCCCCCO 240690a_100011996573_100015343762 [1,1,0,0,0,0|1,1,0]=4 711 B11R0.148 CCCCCCCCCC(=O)C 1458a_100000070787_100000210670 [1,1,0,0,0,0|2,0,0]=4 712 B11R0.148 CCCCCCCCCC(=O)C 1458a_100000210558_200000210301 [1,1,0,0,0,0|2,0,0]=4 713 B11R0.148 CCCCCCCCCC(=O)[13CH3] 1458a_100000210558_200025704644 [1,1,0,0,0,0|2,0,0]=4 714 B11R0.148 CCCCCCCCNC(=O)C 11a_100000229939_100015343762 [1,1,0,0,0,0|2,0,0]=4 715 B11R0.148 CCCCCCCCNC(=O)C 1626a_100000229939_100015343762 [1,1,0,0,0,0|2,0,0]=4 716 B11R0.148 CCCCCCCCNC(=O)C 240690a_100000229939_100015343762 [1,1,0,0,0,0|2,0,0]=4 717 B11R0.148 CCCCCCCCNC(=O)C 527a_100000229939_100103153847 [1,1,0,0,0,0|2,0,0]=4 718 B11R0.148 CCCCCCCNCC(=O)N 2230a_100000229938_100000747473 [1,1,0,0,0,0|2,0,0]=4 719 B11R0.148 CCCCCCCNCC(=O)N 2230a_100000711301_100000210681 [1,1,0,0,0,0|2,0,0]=4 720 B11R0.148 CCCCCCCNCC(=O)O 269956a_100016091260_100000210614 [1,1,0,0,0,0|1,0,0]=3 721 B11R0.148 CCCCCCCOCC(=O)C 34a_100000211253_100000210614 [1,1,0,0,0,0|2,0,0]=4 722 B11R0.148 CCCCCCCOCC(=O)N 34a_100000210272_100000187820 [1,1,0,0,0,0|2,0,0]=4 723 B11R0.148 CCCCCCCOCC(=O)N 7a_100000210272_100000187820 [1,1,0,0,0,0|2,0,0]=4 724 B11R0.148 CCCCCCCOCC(=O)[O-] 34a_100000210272_100020667443 [1,1,0,0,0,0|1,0,1]=4 725 B11R0.148 CCCCCCCSCC(=O)N 62a_100000210614_100000747473 [1,1,0,0,0,0|2,0,0]=4 726 B11R0.148 CCCCCCCSCC(=O)N 62a_100000747473_100000210316 [1,1,0,0,0,0|2,0,0]=4 727 B11R0.148 CCCCCCCSCC(=O)[O-] 62a_100000210614_100020667443 [1,1,0,0,0,0|1,0,1]=4 728 B11R0.148 CCCCCCCSCC(=O)[O-] 62a_100020667443_100000210316 [1,1,0,0,0,0|1,0,1]=4 729 B11R0.148 CCCCCCNCCC(=O)N 2230a_100000210581_100000744528 [1,1,0,0,0,0|2,0,0]=4 730 B11R0.148 CCCCCCNOCC(=O)O 269956a_100000106656_100000210757 [1,1,0,0,0,0|2,0,0]=4 731 B11R0.148 CCCCCCOCCC(=O)C 34a_100000759926_100000210314 [1,1,0,0,0,0|2,0,0]=4 732 B11R0.148 CCCCCCOCCC(=O)C 7a_100000210259_100000053229 [1,1,0,0,0,0|2,0,0]=4 733 B11R0.148 CCCCCCOCCC(=O)C 7a_100000759926_100000210314 [1,1,0,0,0,0|2,0,0]=4 734 B11R0.148 CCCCCCOCCC(=O)N 34a_100000210259_100000731001 [1,1,0,0,0,0|2,0,0]=4 735 B11R0.148 CCCCCCOCCC(=O)N 34a_100000757172_100000210314 [1,1,0,0,0,0|2,0,0]=4 736 B11R0.148 CCCCCCOCCC(=O)N 7a_100000210259_100000744528 [1,1,0,0,0,0|2,0,0]=4 737 B11R0.148 CCCCCCOCCC(=O)N 7a_100000757172_100000210314 [1,1,0,0,0,0|2,0,0]=4 738 B11R0.148 CCCCCCSCCC(=O)C 62a_100000053229_100000210757 [1,1,0,0,0,0|2,0,0]=4 739 B11R0.148 CCCCCCSCCC(=O)C 62a_100000210314_100000053229 [1,1,0,0,0,0|2,0,0]=4 740 B11R0.148 CCCCCCSCCC(=O)N 62a_100000210314_100000744528 [1,1,0,0,0,0|2,0,0]=4 741 B11R0.148 CCCCCCSCCC(=O)N 62a_100000744528_100000210757 [1,1,0,0,0,0|2,0,0]=4 742 B11R0.148 CCCCCNCCCC(=O)N 34a_100000739312_100000718602 [1,1,0,0,0,0|2,0,0]=4 743 B11R0.148 CCCCCOCCCC(=O)C 34a_100000210253_100000685027 [1,1,0,0,0,0|2,0,0]=4 744 B11R0.148 CCCCCOCCCC(=O)C 34a_100000759063_100000718602 [1,1,0,0,0,0|2,0,0]=4 745 B11R0.148 CCCCCOCCCC(=O)C 7a_100000210253_100011215641 [1,1,0,0,0,0|2,0,0]=4 746 B11R0.148 CCCCCOCCCC(=O)C 7a_100000759063_100000210326 [1,1,0,0,0,0|2,0,0]=4 747 B11R0.148 CCCCCOCCCC(=O)N 34a_100000210253_100102525003 [1,1,0,0,0,0|2,0,0]=4 748 B11R0.148 CCCCCOCCCC(=O)N 7a_100000210253_100102525003 [1,1,0,0,0,0|2,0,0]=4 749 B11R0.148 CCCCCSCCCC(=O)C 62a_100000210326_100011215641 [1,1,0,0,0,0|2,0,0]=4 750 B11R0.148 CCCCCSCCCC(=O)C 62a_100011215641_100000210326 [1,1,0,0,0,0|2,0,0]=4 751 B11R0.148 CCCCCSCCCC(=O)N 62a_100000210326_100102525003 [1,1,0,0,0,0|2,0,0]=4 752 B11R0.148 CCCCCSCCCC(=O)N 62a_100102525003_100000210326 [1,1,0,0,0,0|2,0,0]=4 753 B11R0.148 CCCCNCCCCC(=O)C 7a_106832991798_100000735457 [1,1,0,0,0,0|2,0,0]=4 754 B11R0.148 CCCCNCCCCC(=O)N 34a_100000696515_100000210210 [1,1,0,0,0,0|2,0,0]=4 755 B11R0.148 CCCCNCCOCC(=O)O 269956a_100000700818_100000210211 [1,1,0,0,0,0|2,0,0]=4 756 B11R0.148 CCCCOCCCCC(=O)C 34a_100000210227_100009817362 [1,1,0,0,0,0|2,0,0]=4 757 B11R0.148 CCCCOCCCCC(=O)C 7a_100000210227_100000735457 [1,1,0,0,0,0|2,0,0]=4 758 B11R0.148 CCCCOCCCCC(=O)N 34a_100012022536_100000210210 [1,1,0,0,0,0|2,0,0]=4 759 B11R0.148 CCCCOCCCCC(=O)N 7a_100012022536_100000210211 [1,1,0,0,0,0|2,0,0]=4 760 B11R0.148 CCCCOCCNCC(=O)O 269956a_100016091260_100000743108 [1,1,0,0,0,0|2,0,0]=4 761 B11R0.148 CCCCSCCCCC(=O)C 62a_100000210211_100000735457 [1,1,0,0,0,0|2,0,0]=4 762 B11R0.148 CCCCSCCCCC(=O)C 62a_100000735457_100000210210 [1,1,0,0,0,0|2,0,0]=4 763 B11R0.148 CCCOCCCCCC(=O)N 34a_100000123541_100000210303 [1,1,0,0,0,0|2,0,0]=4 764 B11R0.148 CCCOCCCCCC(=O)N 34a_100000210258_100009817443 [1,1,0,0,0,0|2,0,0]=4 765 B11R0.148 CCCOCCCCCC(=O)N 7a_100000123541_100000210303 [1,1,0,0,0,0|2,0,0]=4 766 B11R0.148 CCCOCCCCCC(=O)[O-] 7a_100102619762_100000210303 [1,1,0,0,0,0|1,0,1]=4 767 B11R0.148 CCCSCCCCCC(=O)N 62a_100000210303_100009817443 [1,1,0,0,0,0|2,0,0]=4 768 B11R0.148 CCCSCCCCCC(=O)N 62a_100009817443_100000210303 [1,1,0,0,0,0|2,0,0]=4 769 B11R0.148 CSCCCCOCCC(=O)C 7a_100011217163_100000053229 [1,1,0,0,0,0|2,0,0]=4 770 B11R0.148 CSCCCCOCCC(=O)N 34a_100011217163_100000731001 [1,1,0,0,0,0|2,0,0]=4 771 B11R0.148 CSCCCCOCCC(=O)N 7a_100011217163_100000744528 [1,1,0,0,0,0|2,0,0]=4 772 B11R0.148 CSCCCOCCCC(=O)C 34a_100000690336_100000685027 [1,1,0,0,0,0|2,0,0]=4 773 B11R0.148 CSCCCOCCCC(=O)C 7a_100000690336_100011215641 [1,1,0,0,0,0|2,0,0]=4 774 B11R0.148 CSCCCOCCCC(=O)N 34a_100000690336_100102525003 [1,1,0,0,0,0|2,0,0]=4 775 B11R0.148 CSCCCOCCCC(=O)N 7a_100000690336_100102525003 [1,1,0,0,0,0|2,0,0]=4 776 B11R0.148 CSCCNCCCCC(=O)N 34a_100000696515_100000212216 [1,1,0,0,0,0|2,0,0]=4 777 B11R0.148 CSCCNCCOCC(=O)O 269956a_100000700818_100000212216 [1,1,0,0,0,0|2,0,0]=4 778 B11R0.148 CSCCOCCCCC(=O)C 34a_100000230434_100009817362 [1,1,0,0,0,0|2,0,0]=4 779 B11R0.148 CSCCOCCCCC(=O)C 7a_100000230434_100000735457 [1,1,0,0,0,0|2,0,0]=4 780 B11R0.148 CSCCOCCCCC(=O)N 34a_100012022536_100000212216 [1,1,0,0,0,0|2,0,0]=4 781 B11R0.148 CSCCOCCCCC(=O)N 7a_100012022536_100000212216 [1,1,0,0,0,0|2,0,0]=4 782 B11R0.148 CSCCSCCCCC(=O)C 62a_100000212216_100000735457 [1,1,0,0,0,0|2,0,0]=4 783 B11R0.148 CSCCSCCCCC(=O)C 62a_100000735457_100000751147 [1,1,0,0,0,0|2,0,0]=4 784 B11R0.148 CSCOCCCCCC(=O)N 34a_100000123541_100011218213 [1,1,0,0,0,0|2,0,0]=4 785 B11R0.148 CSCSCCCCCC(=O)N 62a_100009817443_100011218213 [1,1,0,0,0,0|2,0,0]=4 786 B11R0.148 CSCSCCCCCC(=O)N 62a_100011218213_100009817443 [1,1,0,0,0,0|2,0,0]=4 787 B11R0.148 N#CCCCCCNCC(=O)O 269956a_100016091260_100009813376 [1,1,0,0,0,0|1,0,1]=4 788 B11R0.148 NC(=O)CCCCCNCCF 34a_100000724931_100009817443 [1,1,0,0,0,0|2,0,0]=4 789 B11R0.148 NC(=O)CCCCCNCCO 2230a_100016997473_100009817443 [1,1,0,0,0,0|1,1,0]=4 790 B11R0.148 NC(=O)CCCCCNCCO 34a_100016990907_100009817443 [1,1,0,0,0,0|1,1,0]=4 791 B11R0.148 NC(=O)CCCCCOCCBr 34a_100000211926_100009817443 [1,1,0,0,0,0|2,0,0]=4 792 B11R0.148 NC(=O)CCCCCOCCF 34a_100000123541_100011217306 [1,1,0,0,0,0|2,0,0]=4 793 B11R0.148 NC(=O)CCCCCOCCF 7a_100000123541_100011217306 [1,1,0,0,0,0|2,0,0]=4 794 B11R0.148 NC(=O)CCCCCOCCO 34a_100000123541_100000211926 [1,1,0,0,0,0|1,1,0]=4 795 B11R0.148 NC(=O)CCCCCOCCO 7a_100000123541_100000211926 [1,1,0,0,0,0|1,1,0]=4 796 B11R0.148 NC(=O)CCCCCSCCF 62a_100009817443_100011217306 [1,1,0,0,0,0|2,0,0]=4 797 B11R0.148 NC(=O)CCCCCSCCF 62a_100011217306_100009817443 [1,1,0,0,0,0|2,0,0]=4 798 B11R0.148 NC(=O)CCCCCSCCO 62a_100000211926_100009817443 [1,1,0,0,0,0|1,1,0]=4 799 B11R0.148 NC(=O)CCCCCSCCO 62a_100009817443_100000211926 [1,1,0,0,0,0|1,1,0]=4 800 B11R0.148 NC(=O)CCCCNCCCF 34a_100000696515_100011934791 [1,1,0,0,0,0|2,0,0]=4 801 B11R0.148 NC(=O)CCCCNCCCO 34a_100000696515_100000230001 [1,1,0,0,0,0|1,1,0]=4 802 B11R0.148 NC(=O)CCCCOCCCF 34a_100012022536_100011934791 [1,1,0,0,0,0|2,0,0]=4 803 B11R0.148 NC(=O)CCCCOCCCF 7a_100012022536_100011934791 [1,1,0,0,0,0|2,0,0]=4 804 B11R0.148 NC(=O)CCCCOCCCO 34a_100012022536_100000230001 [1,1,0,0,0,0|1,1,0]=4 805 B11R0.148 NC(=O)CCCCOCCCO 7a_100012022536_100011215043 [1,1,0,0,0,0|1,1,0]=4 806 B11R0.148 NC(=O)CCCNCCCCF 34a_100000739312_100000729493 [1,1,0,0,0,0|2,0,0]=4 807 B11R0.148 NC(=O)CCCNCCCCO 34a_100000739312_100011216708 [1,1,0,0,0,0|1,1,0]=4 808 B11R0.148 NC(=O)CCCNCCCCO 34a_100000750430_100102525003 [1,1,0,0,0,0|1,1,0]=4 809 B11R0.148 NC(=O)CCCOCCCCBr 34a_100011216708_100102525003 [1,1,0,0,0,0|2,0,0]=4 810 B11R0.148 NC(=O)CCCOCCCCCl 34a_100000210776_100102525003 [1,1,0,0,0,0|2,0,0]=4 811 B11R0.148 NC(=O)CCCOCCCCCl 7a_100000210776_100102525003 [1,1,0,0,0,0|2,0,0]=4 812 B11R0.148 NC(=O)CCCOCCCCF 34a_100011995726_100102525003 [1,1,0,0,0,0|2,0,0]=4 813 B11R0.148 NC(=O)CCCOCCCCF 7a_100011995726_100102525003 [1,1,0,0,0,0|2,0,0]=4 814 B11R0.148 NC(=O)CCCOCCCCI 34a_200012148704_100102525003 [1,1,0,0,0,0|2,0,0]=4 815 B11R0.148 NC(=O)CCCSCCCCF 62a_100000729493_100102525003 [1,1,0,0,0,0|2,0,0]=4 816 B11R0.148 NC(=O)CCCSCCCCF 62a_100102525003_100000729493 [1,1,0,0,0,0|2,0,0]=4 817 B11R0.148 NC(=O)CCCSCCCCO 62a_100000210776_100102525003 [1,1,0,0,0,0|1,1,0]=4 818 B11R0.148 NC(=O)CCCSCCCCO 62a_100102525003_100000210776 [1,1,0,0,0,0|1,1,0]=4 819 B11R0.148 NC(=O)CCNCCCCCO 2230a_100000762737_100000744528 [1,1,0,0,0,0|1,1,0]=4 820 B11R0.148 NC(=O)CCNCCCCCO 34a_100000762737_100000731001 [1,1,0,0,0,0|1,1,0]=4 821 B11R0.148 NC(=O)CCOCCCCCBr 34a_100000746331_100000731001 [1,1,0,0,0,0|2,0,0]=4 822 B11R0.148 NC(=O)CCOCCCCCBr 7a_100000746331_100000744528 [1,1,0,0,0,0|2,0,0]=4 823 B11R0.148 NC(=O)CCOCCCCCCl 34a_100000746330_100000731001 [1,1,0,0,0,0|2,0,0]=4 824 B11R0.148 NC(=O)CCOCCCCCCl 7a_100000746330_100000744528 [1,1,0,0,0,0|2,0,0]=4 825 B11R0.148 NC(=O)CCOCCCCCF 34a_100000757172_100000729378 [1,1,0,0,0,0|2,0,0]=4 826 B11R0.148 NC(=O)CCOCCCCCF 7a_100000757172_100000729378 [1,1,0,0,0,0|2,0,0]=4 827 B11R0.148 NC(=O)CCOCCCCCI 34a_200012148887_100000731001 [1,1,0,0,0,0|2,0,0]=4 828 B11R0.148 NC(=O)CCOCCCCCI 7a_200012148887_100000744528 [1,1,0,0,0,0|2,0,0]=4 829 B11R0.148 NC(=O)CCOCCCCCO 34a_100000757172_100000746330 [1,1,0,0,0,0|1,1,0]=4 830 B11R0.148 NC(=O)CCOCCCCCO 7a_100000757172_100000746330 [1,1,0,0,0,0|1,1,0]=4 831 B11R0.148 NC(=O)CCSCCCCCF 62a_100000729378_100000744528 [1,1,0,0,0,0|2,0,0]=4 832 B11R0.148 NC(=O)CCSCCCCCF 62a_100000744528_100000729378 [1,1,0,0,0,0|2,0,0]=4 833 B11R0.148 NC(=O)CCSCCCCCO 62a_100000744528_100000746330 [1,1,0,0,0,0|1,1,0]=4 834 B11R0.148 NC(=O)CCSCCCCCO 62a_100000746330_100000744528 [1,1,0,0,0,0|1,1,0]=4 835 B11R0.148 NC(=O)CNCCCCCCF 2230a_100000711301_100015922095 [1,1,0,0,0,0|2,0,0]=4 836 B11R0.148 NC(=O)CNCCCCCCO 2230a_100000686447_100000747473 [1,1,0,0,0,0|1,1,0]=4 837 B11R0.148 NC(=O)CNCCCCCCO 2230a_100000711301_100000766143 [1,1,0,0,0,0|1,1,0]=4 838 B11R0.148 NC(=O)CNCCCCCCO 34a_100000686447_100000187820 [1,1,0,0,0,0|1,1,0]=4 839 B11R0.148 NC(=O)COCCCCCCBr 34a_100011215345_100000187820 [1,1,0,0,0,0|2,0,0]=4 840 B11R0.148 NC(=O)COCCCCCCBr 7a_100011215345_100000187820 [1,1,0,0,0,0|2,0,0]=4 841 B11R0.148 NC(=O)COCCCCCCCl 34a_100000766143_100000187820 [1,1,0,0,0,0|2,0,0]=4 842 B11R0.148 NC(=O)COCCCCCCCl 7a_100000766143_100000187820 [1,1,0,0,0,0|2,0,0]=4 843 B11R0.148 NC(=O)COCCCCCCF 34a_100000732779_100000187820 [1,1,0,0,0,0|2,0,0]=4 844 B11R0.148 NC(=O)COCCCCCCF 7a_100000732779_100000187820 [1,1,0,0,0,0|2,0,0]=4 845 B11R0.148 NC(=O)CSCCCCCCF 62a_100000747473_100015922095 [1,1,0,0,0,0|2,0,0]=4 846 B11R0.148 NC(=O)CSCCCCCCF 62a_100015922095_100000747473 [1,1,0,0,0,0|2,0,0]=4 847 B11R0.148 NC(=O)CSCCCCCCO 62a_100000747473_100000766143 [1,1,0,0,0,0|1,1,0]=4 848 B11R0.148 NC(=O)CSCCCCCCO 62a_100000766143_100000747473 [1,1,0,0,0,0|1,1,0]=4 849 B11R0.148 NCCCCCCOCC(=O)N 34a_100000686447_100000187820 [1,1,0,0,0,0|2,0,0]=4 850 B11R0.148 NCCCCCCOCC(=O)[O-] 34a_100000686447_100020667443 [1,1,0,0,0,0|1,0,1]=4 851 B11R0.148 NCCCCCOCCC(=O)N 34a_100000762737_100000731001 [1,1,0,0,0,0|2,0,0]=4 852 B11R0.148 NCCCCOCCCC(=O)N 34a_100000750430_100102525003 [1,1,0,0,0,0|2,0,0]=4 853 B11R0.148 NCCOCCCCCC(=O)N 34a_100000210304_100009817443 [1,1,0,0,0,0|2,0,0]=4 854 B11R0.148 O=C(O)CNCCCCCCF 269956a_100016091260_100015922095 [1,1,0,0,0,0|1,0,0]=3 855 B11R0.148 O=C(O)CNCCCCCCO 269956a_100016091260_100000766143 [1,1,0,0,0,0|0,1,0]=3 856 B11R0.148 O=C(O)COCCNCCCF 269956a_100000700818_100011934791 [1,1,0,0,0,0|2,0,0]=4 857 B11R0.148 O=C(O)COCCNCCCO 269956a_100000700818_100011215043 [1,1,0,0,0,0|1,1,0]=4 858 B11R0.148 O=C(O)CONCCCCCF 269956a_100000106656_100000729378 [1,1,0,0,0,0|2,0,0]=4 859 B11R0.148 O=C(O)CONCCCCCO 269956a_100000106656_100000746330 [1,1,0,0,0,0|1,1,0]=4 860 B11R0.148 O=C([O-])CCCCCOCCF 7a_100102619762_100011217306 [1,1,0,0,0,0|1,0,1]=4 861 B11R0.148 O=C([O-])CCCCCOCCO 7a_100102619762_100000211926 [1,1,0,0,0,0|0,1,1]=4 862 B11R0.148 O=C([O-])CNCCCCCCO 34a_100000686447_100020667443 [1,1,0,0,0,0|0,1,1]=4 863 B11R0.148 O=C([O-])COCCCCCCBr 34a_100011215345_100020667443 [1,1,0,0,0,0|1,0,1]=4 864 B11R0.148 O=C([O-])COCCCCCCCl 34a_100000766143_100020667443 [1,1,0,0,0,0|1,0,1]=4 865 B11R0.148 O=C([O-])COCCCCCCF 34a_100000732779_100020667443 [1,1,0,0,0,0|1,0,1]=4 866 B11R0.148 O=C([O-])CSCCCCCCF 62a_100015922095_100020667443 [1,1,0,0,0,0|1,0,1]=4 867 B11R0.148 O=C([O-])CSCCCCCCF 62a_100020667443_100015922095 [1,1,0,0,0,0|1,0,1]=4 868 B11R0.148 O=C([O-])CSCCCCCCO 62a_100000766143_100020667443 [1,1,0,0,0,0|0,1,1]=4 869 B11R0.148 O=C([O-])CSCCCCCCO 62a_100020667443_100000766143 [1,1,0,0,0,0|0,1,1]=4 870 B11R0.148 O=CCCCCCNCC(=O)O 269956a_100016091260_100000139337 [1,1,0,0,0,0|0,1,1]=4 871 B11R0.106 CCC(=O)CCCCC(=O)OC 1458a_100000210414_100000204269 [1,1,0,0,0,0|0,1,1]=4 872 B11R0.106 CCC(=O)CCCCC(=O)OC 1458a_100000695723_100000210202 [1,1,0,0,0,0|0,1,1]=4 873 B11R0.106 CCC(C)CCNCC(=O)OC 2230a_100020591266_100000747449 [1,1,0,0,0,0|2,0,0]=4 874 B11R0.106 CCC(C)CCOCC(=O)OC 7a_100011215188_100000747449 [1,1,0,0,0,0|2,0,0]=4 875 B11R0.106 CCC(C)CNCCC(=O)OC 2230a_100020588543_100000204255 [1,1,0,0,0,0|2,0,0]=4 876 B11R0.106 CCC(C)CSCCC(=O)OC 62a_100000204255_100000748023 [1,1,0,0,0,0|2,0,0]=4 877 B11R0.106 CCC(C)CSCCC(=O)OC 62a_100000748023_100000204255 [1,1,0,0,0,0|2,0,0]=4 878 B11R0.106 CCC(C)NCCCC(=O)OC 2230a_100000209981_100011218270 [1,1,0,0,0,0|2,0,0]=4 879 B11R0.106 CCC(C)OCCCC(=O)OC 7a_100000210228_100011218270 [1,1,0,0,0,0|2,0,0]=4 880 B11R0.106 CCC(C)SCCCC(=O)OC 62a_100000758301_100011218270 [1,1,0,0,0,0|2,0,0]=4 881 B11R0.106 CCC(C)SCCCC(=O)OC 62a_100011218270_100000758301 [1,1,0,0,0,0|2,0,0]=4 882 B11R0.106 CCC(O)CNCCC(=O)OC 2230a_100011218483_100000204255 [1,1,0,0,0,0|1,1,0]=4 883 B11R0.106 CCC(O)CSCCC(=O)OC 62a_100000204255_100011218378 [1,1,0,0,0,0|1,1,0]=4 884 B11R0.106 CCC(O)CSCCC(=O)OC 62a_100011218378_100000204255 [1,1,0,0,0,0|1,1,0]=4 885 B11R0.106 CCN(C)CCCCC(=O)OC 2230a_100000225621_100000204269 [1,1,0,0,0,0|2,0,0]=4 886 B11R0.106 CCN(C)CCCCC(=O)OC 269982a_100000225621_100000204269 [1,1,0,0,0,0|2,0,0]=4 887 B11R0.106 CC[C@H](C)COCCC(=O)OC 7a_100009816381_100000204255 [1,1,0,0,0,0|2,0,0]=4 888 B11R0.106 CC[C@H](C)CSCCC(=O)OC 62a_100000204255_100009816398 [1,1,0,0,0,0|2,0,0]=4 889 B11R0.106 CC[C@H](C)CSCCC(=O)OC 62a_100009816398_100000204255 [1,1,0,0,0,0|2,0,0]=4 890 B11R0.107 CCC(C)NCC(O)CC(=O)O 269956a_100011218706_100000758301 [1,1,0,0,0,0|2,0,0]=4 891 B11R0.109 CCC(C)CNCC(C)C(=O)O 269956a_100000749485_100000748023 [1,1,0,0,0,0|2,0,0]=4 892 B11R0.109 CCC(C)CNCC(F)C(=O)O 269956a_100000084737_100000748023 [1,1,0,0,0,0|2,0,0]=4 893 B11R0.109 CCC(O)CNCC(C)C(=O)O 269956a_100000749485_100011218378 [1,1,0,0,0,0|1,1,0]=4 894 B11R0.109 CCC(O)CNCC(F)C(=O)O 269956a_100000084737_100011218378 [1,1,0,0,0,0|1,1,0]=4 895 B11R0.109 CC[C@H](C)CNCC(C)C(=O)O 269956a_100000749485_100009816398 [1,1,0,0,0,0|2,0,0]=4 896 B11R0.109 CC[C@H](C)CNCC(F)C(=O)O 269956a_100000084737_100009816398 [1,1,0,0,0,0|2,0,0]=4 897 B11R0.145 CCC(C)N(C)CCCC(=O)O 269956a_100000719178_100000758301 [1,1,0,0,0,0|2,0,0]=4 898 B13R0.87 CCCC(C)CCCOCC(=O)OC 34a_100011713154_100000747449 [0,1,0,0,0,1|2,0,0]=4 899 B13R0.87 CCCC(C)CCCOCC(=O)OC 7a_100011713154_100000747449 [0,1,0,0,0,1|2,0,0]=4 900 B13R0.87 CCCC(C)CCOCCC(=O)OC 34a_100011217855_100000742370 [0,1,0,0,0,1|2,0,0]=4 901 B13R0.87 CCCC(C)CCOCCC(=O)OC 7a_100011217855_100000204255 [0,1,0,0,0,1|2,0,0]=4 902 B13R0.87 CCCC(C)COCCCC(=O)OC 34a_100000688023_100000742333 [0,1,0,0,0,1|2,0,0]=4 903 B13R0.87 CCCC(C)COCCCC(=O)OC 7a_100000688023_100011218270 [0,1,0,0,0,1|2,0,0]=4 904 B13R0.87 CCCC(C)CSCCCC(=O)OC 62a_100011216630_100011218270 [0,1,0,0,0,1|2,0,0]=4 905 B13R0.87 CCCC(C)CSCCCC(=O)OC 62a_100011218270_100011216630 [0,1,0,0,0,1|2,0,0]=4 906 B13R0.87 CCCC(C)NCCCCC(=O)OC 2230a_100000741246_100000204269 [0,1,0,0,0,1|2,0,0]=4 907 B13R0.87 CCCC(C)OCCCCC(=O)OC 34a_100000059025_100000766640 [0,1,0,0,0,1|2,0,0]=4 908 B13R0.87 CCCC(C)OCCCCC(=O)OC 34a_100000764384_100000204269 [0,1,0,0,0,1|2,0,0]=4 909 B13R0.87 CCCC(C)OCCCCC(=O)OC 7a_100000059025_100000766640 [0,1,0,0,0,1|2,0,0]=4 910 B13R0.87 CCCC(C)OCCCCC(=O)OC 7a_100000764384_100000204269 [0,1,0,0,0,1|2,0,0]=4 911 B13R0.87 CCCC(C)SCCCCC(=O)OC 62a_100000204269_100000766640 [0,1,0,0,0,1|2,0,0]=4 912 B13R0.87 CCCC(C)SCCCCC(=O)OC 62a_100000766640_100000204269 [0,1,0,0,0,1|2,0,0]=4 913 B13R0.87 CCC[C@H](N)CCOCCC(=O)OC 34a_100015193777_100000742370 [0,1,0,0,0,1|2,0,0]=4 914 B13R0.87 CCC[C@H](N)COCCCC(=O)OC 34a_100000732646_100000742333 [0,1,0,0,0,1|2,0,0]=4 915 B13R0.87 COC(=O)CCCCN[C@H](C)CCO 2230a_100000706166_100000204269 [0,1,0,0,0,1|1,1,0]=4 916 B13R0.87 COC(=O)CCCCN[C@H](C)CCO 34a_100000706166_100000204269 [0,1,0,0,0,1|1,1,0]=4 917 B13R0.87 COC(=O)CCCCOC(C)CCBr 34a_100012276601_100000204269 [0,1,0,0,0,1|2,0,0]=4 918 B13R0.87 COC(=O)CCCCOC(C)CCO 34a_100000059025_100009893172 [0,1,0,0,0,1|1,1,0]=4 919 B13R0.87 COC(=O)CCCCOC(C)CCO 7a_100000059025_100009893172 [0,1,0,0,0,1|1,1,0]=4 920 B13R0.87 COC(=O)CCCCSC(C)CCO 62a_100000204269_100009893172 [0,1,0,0,0,1|1,1,0]=4 921 B13R0.87 COC(=O)CCCCSC(C)CCO 62a_100009893172_100000204269 [0,1,0,0,0,1|1,1,0]=4 922 B13R0.87 COC(=O)CCCOCC(C)CCN 34a_106354213184_100000742333 [0,1,0,0,0,1|2,0,0]=4 923 B13R0.119 CSCCC(C)NCCCCC(=O)N 270004a_100000696515_100011217047 [0,1,0,0,0,1|2,0,0]=4 924 B13R0.119 CSCC[C@H](N)COCCCC(=O)C 34a_100011827619_100000685027 [0,1,0,0,0,1|2,0,0]=4 925 B13R0.119 CSCC[C@H](N)COCCCC(=O)N 34a_100011827619_100102525003 [0,1,0,0,0,1|2,0,0]=4 926 B13R0.313 CCCC(CCOCCC(=O)C)SC 7a_100000032865_100000053229 [0,1,0,0,0,1|2,0,0]=4 927 B13R0.313 CCCC(CCOCCC(=O)N)SC 34a_100000032865_100000731001 [0,1,0,0,0,1|2,0,0]=4 928 B13R0.313 CCCC(CCOCCC(=O)N)SC 7a_100000032865_100000744528 [0,1,0,0,0,1|2,0,0]=4 929 B13R0.331 CCCC(C)CN(C)CCCC(=O)O 269956a_100000719178_100011216630 [0,1,0,0,0,1|2,0,0]=4 930 B13R0.332 CCCC(C)CNCC(O)CC(=O)O 269956a_100011218706_100011216630 [0,1,0,0,0,1|2,0,0]=4 931 B13R0.113 COC(=O)CCCCC(=O)CCSC 1458a_100000174002_100000204269 [0,2,0,0,0,0|0,1,1]=4 932 B13R0.113 COC(=O)CCCCC(=O)CCSC 1458a_100000695723_100000751147 [0,2,0,0,0,0|0,1,1]=4 933 B13R0.113 COC(=O)CCCCN(C)CCSC 2230a_100000686725_100000204269 [0,2,0,0,0,0|2,0,0]=4 934 B13R0.113 COC(=O)CCCCN(C)CCSC 269982a_100000686725_100000204269 [0,2,0,0,0,0|2,0,0]=4 935 B13R0.113 COC(=O)CCOC[C@@H](N)CCSC 34a_100011827619_100000742370 [0,2,0,0,0,0|2,0,0]=4 936 B13R0.308 CCCC(CCOCC(=O)OC)SC 34a_100000032865_100000747449 [0,2,0,0,0,0|2,0,0]=4 937 B13R0.308 CCCC(CCOCC(=O)OC)SC 7a_100000032865_100000747449 [0,2,0,0,0,0|2,0,0]=4 938 B11R1.4 O=CCCCCN1CCSC1 2230a_100011215254_100000139335 [1,0,0,1,0,0|2,0,0]=4 939 B11R1.4 O=CCCCCN1CCSC1 269982a_100011215254_100000139335 [1,0,0,1,0,0|2,0,0]=4 940 B11R1.4 O=CCCCOC1CCSC1 7a_100011232664_200011292268 [1,0,0,1,0,0|2,0,0]=4 941 B11R1.53 CCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210202 [1,0,0,1,0,0|2,0,0]=4 942 B11R1.53 CN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_200000210301 [1,0,0,1,0,0|2,0,0]=4 943 B11R1.53 O=C(O)[C@H]1CCCCN1CF 269956a_100000763471_100015361967 [1,0,0,1,0,0|2,0,0]=4 944 B11R1.53 [13CH3]N[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_200025704644 [1,0,0,1,0,0|2,0,0]=4 945 B11R1.90 O=C(O)CN[C@@H]1CCC[C@H]1O 269956a_100016091260_200016002552 [1,0,0,1,0,0|1,1,0]=4 946 B11R1.91 CC(=O)CCC1CCCCC1 1458a_100000070787_100011273959 [1,0,0,1,0,0|2,0,0]=4 947 B11R1.91 CC(=O)CCC1CCCCC1 1458a_100000211375_200000210301 [1,0,0,1,0,0|2,0,0]=4 948 B11R1.91 O=C(O)CNC1CCCCC1 269956a_100016091260_100000210327 [1,0,0,1,0,0|2,0,0]=4 949 B11R1.91 [13CH3]C(=O)CCC1CCCCC1 1458a_100000211375_200025704644 [1,0,0,1,0,0|2,0,0]=4 950 B11R1.143 CN1CCCCCC1C(=O)O 269956a_100000758484_200000210301 [1,0,0,1,0,0|2,0,0]=4 951 B11R1.143 [13CH3]N1CCCCCC1C(=O)O 269956a_100000758484_200025704644 [1,0,0,1,0,0|2,0,0]=4 952 B11R1.172 CC(=O)CCCC1CCCC1 1458a_100000070787_100011713738 [1,0,0,1,0,0|2,0,0]=4 953 B11R1.172 O=C(O)CNCC1CCCC1 269956a_100016091260_100000740388 [1,0,0,1,0,0|2,0,0]=4 954 B11R1.172 O=C(O)CNCC1CCCO1 269956a_100016091260_100000183445 [1,0,0,1,0,0|1,1,0]=4 955 B11R1.176 CC(=O)CCCOCC1CS1 7a_100000759063_100000031435 [1,0,0,1,0,0|2,0,0]=4 956 B11R1.176 CC(=O)CCCSCC1CS1 62a_100000031435_100011215641 [1,0,0,1,0,0|2,0,0]=4 957 B11R1.176 CC(=O)CCCSCC1CS1 62a_100011215641_100000031435 [1,0,0,1,0,0|2,0,0]=4 958 B11R1.176 NC(=O)CCCSCC1CS1 62a_100000031435_100102525003 [1,0,0,1,0,0|2,0,0]=4 959 B11R1.176 NC(=O)CCCSCC1CS1 62a_100102525003_100000031435 [1,0,0,1,0,0|2,0,0]=4 960 B11R1.176 O=C(O)CNCCCC1CO1 269956a_100016091260_100000733510 [1,0,0,1,0,0|1,1,0]=4 961 B11R1.193 CCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210207 [1,0,0,1,0,0|2,0,0]=4 962 B11R1.193 O=C(O)[C@@H]1CCCN1CCF 269956a_100000743916_100011217306 [1,0,0,1,0,0|2,0,0]=4 963 B11R1.193 O=C(O)[C@@H]1CCCN1CCO 269956a_100000743916_100000211926 [1,0,0,1,0,0|1,1,0]=4 964 B11R1.204 CCCCN1CCC1C(=O)O 269956a_100000021838_100000210211 [1,0,0,1,0,0|2,0,0]=4 965 B11R1.204 O=C(O)C1CCN1CCCF 269956a_100000021838_100011934791 [1,0,0,1,0,0|2,0,0]=4 966 B11R1.204 O=C(O)C1CCN1CCCO 269956a_100000021838_100011215043 [1,0,0,1,0,0|1,1,0]=4 967 B11R1.742 CC(=O)CC1CCCCCC1 1458a_100000070787_200000696569 [1,0,0,1,0,0|2,0,0]=4 968 B11R1.742 CC(=O)CC1CCCCCC1 1458a_100000685095_200000210301 [1,0,0,1,0,0|2,0,0]=4 969 B11R1.742 [13CH3]C(=O)CC1CCCCCC1 1458a_100000685095_200025704644 [1,0,0,1,0,0|2,0,0]=4 970 B11R1.20 CC(=O)CC1CCC(CC1)C 1458a_100011215564_200000210301 [1,0,0,1,0,0|2,0,0]=4 971 B11R1.20 CC(=O)CC1CCC(CC1)O 1458a_100012184027_200000210301 [1,0,0,1,0,0|1,1,0]=4 972 B11R1.20 CC1CCC(CC1)CC(=O)[13CH3] 1458a_100011215564_200025704644 [1,0,0,1,0,0|2,0,0]=4 973 B11R1.20 [13CH3]C(=O)CC1CCC(CC1)O 1458a_100012184027_200025704644 [1,0,0,1,0,0|1,1,0]=4 974 B11R1.43 CCN1CCC(C1)CC(=O)O 269956a_100000719201_100000210202 [1,0,0,1,0,0|2,0,0]=4 975 B11R1.159 CC1CCCC(N1C)C(=O)O 269956a_100000704260_200000210301 [1,0,0,1,0,0|2,0,0]=4 976 B11R1.159 CC1CCCC(N1[13CH3])C(=O)O 269956a_100000704260_200025704644 [1,0,0,1,0,0|2,0,0]=4 977 B11R1.266 CNC1CCCC(C1)C(=O)O 269956a_100011216634_200000210301 [1,0,0,1,0,0|2,0,0]=4 978 B11R1.266 [13CH3]NC1CCCC(C1)C(=O)O 269956a_100011216634_200025704644 [1,0,0,1,0,0|2,0,0]=4 979 B11R1.565 CN1CCCC(CC1)C(=O)O 269956a_100000134118_200000210301 [1,0,0,1,0,0|2,0,0]=4 980 B11R1.565 [13CH3]N1CCCC(CC1)C(=O)O 269956a_100000134118_200025704644 [1,0,0,1,0,0|2,0,0]=4 981 B11R1.870 CCC(C)N1CCC1C(=O)O 269956a_100000021838_100000758301 [1,0,0,1,0,0|2,0,0]=4 982 B13R1.343 CC(=O)CCCCOC1CCSC1 7a_100011232664_100000735457 [0,0,0,1,0,1|2,0,0]=4 983 B13R1.343 NC(=O)CCCCNC1CCSC1 270004a_100000696515_100000212027 [0,0,0,1,0,1|2,0,0]=4 984 B13R1.343 O=C(O)CNCCCC1CCCC1 269956a_100016091260_100011713738 [0,0,0,1,0,1|2,0,0]=4 985 B13R1.467 CC(CCO)N1CCC[C@H]1C(=O)O 269956a_100000743916_100009893172 [0,0,0,1,0,1|1,1,0]=4 986 B13R1.467 CCCC(C)N1CCC[C@H]1C(=O)O 269956a_100000743916_100000766640 [0,0,0,1,0,1|2,0,0]=4 987 B13R1.1474 CCCC(C)CN1CCC1C(=O)O 269956a_100000021838_100011216630 [0,0,0,1,0,1|2,0,0]=4 988 B13R1.498 CSCCN1CCC(C1)CC(=O)O 269956a_100000719201_100000212216 [0,1,0,1,0,0|2,0,0]=4 989 B13R1.568 CCCNC1CCCC(C1)C(=O)O 269956a_100011216634_100000210207 [0,1,0,1,0,0|2,0,0]=4 990 B13R1.568 CSCNC1CCCC(C1)C(=O)O 269956a_100011216634_100011218213 [0,1,0,1,0,0|2,0,0]=4 991 B13R1.568 O=C(O)C1CCCC(C1)NCCF 269956a_100011216634_100011217306 [0,1,0,1,0,0|2,0,0]=4 992 B13R1.568 O=C(O)C1CCCC(C1)NCCO 269956a_100011216634_100000211926 [0,1,0,1,0,0|1,1,0]=4 993 B13R1.4012 CC1CCCC(N1CCF)C(=O)O 269956a_100000704260_100011217306 [0,1,0,1,0,0|2,0,0]=4 994 B13R1.4012 CC1CCCC(N1CCO)C(=O)O 269956a_100000704260_100000211926 [0,1,0,1,0,0|1,1,0]=4 995 B13R1.4012 CCCN1C(CCCC1C(=O)O)C 269956a_100000704260_100000210207 [0,1,0,1,0,0|2,0,0]=4 996 B13R1.4012 CSCN1C(CCCC1C(=O)O)C 269956a_100000704260_100011218213 [0,1,0,1,0,0|2,0,0]=4 997 B13R1.536 CCC(=O)CCCC[C@@H]1CCSS1 1458a_100009816572_100000210202 [0,1,0,1,0,0|1,0,0]=3 998 B13R1.536 CNC(=O)CCCC[C@@H]1CCSS1 11a_106832991635_100009816572 [0,1,0,1,0,0|1,0,0]=3 999 B13R1.536 CNC(=O)CCCC[C@@H]1CCSS1 1626a_100102657272_100009816572 [0,1,0,1,0,0|1,0,0]=3 1000 B13R1.536 CNC(=O)CCCC[C@@H]1CCSS1 240690a_100102657272_100009816572 [0,1,0,1,0,0|1,0,0]=3 1001 B13R1.536 CNC(=O)CCCC[C@@H]1CCSS1 527a_100102657272_100009816572 [0,1,0,1,0,0|1,0,0]=3 1002 B13R1.536 COC(=O)CCCCN1CCSC1 2230a_100011215254_100000204269 [0,1,0,1,0,0|2,0,0]=4 1003 B13R1.536 COC(=O)CCCCN1CCSC1 269982a_100011215254_100000204269 [0,1,0,1,0,0|2,0,0]=4 1004 B13R1.536 COC(=O)CCCOC1CCSC1 7a_100011232664_100011218270 [0,1,0,1,0,0|2,0,0]=4 1005 B13R1.536 O=C(CF)CCCC[C@@H]1CCSS1 1458a_100009816572_100015361967 [0,1,0,1,0,0|1,0,0]=3 1006 B9R0.1 CCC(C)CNCC(=O)O 269956a_100016091260_100000748023 [1,0,0,0,1,0|2,0,0]=4 1007 B9R0.1 CCC(O)CNCC(=O)O 269956a_100016091260_100011218378 [1,0,0,0,1,0|1,1,0]=4 1008 B9R0.1 CCN(C)CCCC(=O)O 269956a_100000719178_100000210202 [1,0,0,0,1,0|2,0,0]=4 1009 B9R0.1 CC[C@H](C)CNCC(=O)O 269956a_100016091260_100009816398 [1,0,0,0,1,0|2,0,0]=4 1010 B13R0.88 CCCC(C)CNCCOCC(=O)O 269956a_100000700818_100011216630 [0,0,0,0,0,2|2,0,0]=4