0 B11R0.148 C=C(Br)CCOCCCCCC 34a_100009813270_100000210314 [0,0,0,0,0,0|3,0,1]=4 1 B11R0.148 C=C(C)CCNCCCCCC 2230a_100000210581_100000730704 [0,0,0,0,0,0|3,0,1]=4 2 B11R0.148 C=C(C)CCOCCCCCC 34a_100000210259_100000730704 [0,0,0,0,0,0|3,0,1]=4 3 B11R0.148 C=C(C)CCOCCCCCC 34a_100000764851_100000210314 [0,0,0,0,0,0|3,0,1]=4 4 B11R0.148 C=C(C)CCOCCCCCC 7a_100000210259_100000730704 [0,0,0,0,0,0|3,0,1]=4 5 B11R0.148 C=C(C)CCSCCCCCC 62a_100000210314_100000730704 [0,0,0,0,0,0|3,0,1]=4 6 B11R0.148 C=C(C)CCSCCCCCC 62a_100000730704_100000210757 [0,0,0,0,0,0|3,0,1]=4 7 B11R0.148 CC(=O)CCCCCCCCO 1458a_100000070787_100000033203 [0,0,0,0,0,0|2,0,2]=4 8 B11R0.148 CC(=O)CCCNCCCCO 34a_100000750430_100000685027 [0,0,0,0,0,0|3,0,1]=4 9 B11R0.148 CC(=O)CCCOCCCCBr 34a_100011216708_100000685027 [0,0,0,0,0,0|3,0,1]=4 10 B11R0.148 CC(=O)CCCOCCCCCl 34a_100000210776_100000685027 [0,0,0,0,0,0|3,0,1]=4 11 B11R0.148 CC(=O)CCCOCCCCCl 7a_100000210776_100011215641 [0,0,0,0,0,0|3,0,1]=4 12 B11R0.148 CC(=O)CCCOCCCCF 34a_100000759063_100000729493 [0,0,0,0,0,0|3,0,1]=4 13 B11R0.148 CC(=O)CCCOCCCCF 34a_100011995726_100000685027 [0,0,0,0,0,0|3,0,1]=4 14 B11R0.148 CC(=O)CCCOCCCCF 7a_100000759063_100000729493 [0,0,0,0,0,0|3,0,1]=4 15 B11R0.148 CC(=O)CCCOCCCCF 7a_100011995726_100011215641 [0,0,0,0,0,0|3,0,1]=4 16 B11R0.148 CC(=O)CCCOCCCCI 34a_200012148704_100000685027 [0,0,0,0,0,0|3,0,1]=4 17 B11R0.148 CC(=O)CCCOCCCCN 34a_100000750430_100000685027 [0,0,0,0,0,0|3,0,1]=4 18 B11R0.148 CC(=O)CCCOCCCCO 34a_100000759063_100011216708 [0,0,0,0,0,0|3,0,1]=4 19 B11R0.148 CC(=O)CCCOCCCCO 7a_100000759063_100000210776 [0,0,0,0,0,0|3,0,1]=4 20 B11R0.148 CC(=O)CCCSCCCCF 62a_100000729493_100011215641 [0,0,0,0,0,0|3,0,1]=4 21 B11R0.148 CC(=O)CCCSCCCCF 62a_100011215641_100000729493 [0,0,0,0,0,0|3,0,1]=4 22 B11R0.148 CC(=O)CCCSCCCCO 62a_100000210776_100011215641 [0,0,0,0,0,0|3,0,1]=4 23 B11R0.148 CC(=O)CCCSCCCCO 62a_100011215641_100000210776 [0,0,0,0,0,0|3,0,1]=4 24 B11R0.148 CC(=O)CCOCCCCCBr 7a_100000746331_100000053229 [0,0,0,0,0,0|3,0,1]=4 25 B11R0.148 CC(=O)CCOCCCCCCl 7a_100000746330_100000053229 [0,0,0,0,0,0|3,0,1]=4 26 B11R0.148 CC(=O)CCOCCCCCF 34a_100000759926_100000729378 [0,0,0,0,0,0|3,0,1]=4 27 B11R0.148 CC(=O)CCOCCCCCF 7a_100000759926_100000729378 [0,0,0,0,0,0|3,0,1]=4 28 B11R0.148 CC(=O)CCOCCCCCI 7a_200012148887_100000053229 [0,0,0,0,0,0|3,0,1]=4 29 B11R0.148 CC(=O)CCOCCCCCO 34a_100000759926_100000746330 [0,0,0,0,0,0|3,0,1]=4 30 B11R0.148 CC(=O)CCOCCCCCO 7a_100000759926_100000746330 [0,0,0,0,0,0|3,0,1]=4 31 B11R0.148 CC(=O)CCSCCCCCF 62a_100000053229_100000729378 [0,0,0,0,0,0|3,0,1]=4 32 B11R0.148 CC(=O)CCSCCCCCF 62a_100000729378_100000053229 [0,0,0,0,0,0|3,0,1]=4 33 B11R0.148 CC(=O)CCSCCCCCO 62a_100000053229_100000746330 [0,0,0,0,0,0|3,0,1]=4 34 B11R0.148 CC(=O)CCSCCCCCO 62a_100000746330_100000053229 [0,0,0,0,0,0|3,0,1]=4 35 B11R0.148 CCCC/C=C/COCC(=O)N 34a_200016272032_100000187820 [0,0,0,0,0,0|2,0,2]=4 36 B11R0.148 CCCC/C=C/COCC(=O)N 7a_200016272032_100000187820 [0,0,0,0,0,0|2,0,2]=4 37 B11R0.148 CCCC/C=C/COCC(=O)[O-] 34a_200016272032_100020667443 [0,0,0,0,0,0|1,0,3]=4 38 B11R0.148 CCCCC#CCCCC(=O)C 1458a_100000070787_200000047210 [0,0,0,0,0,0|1,0,3]=4 39 B11R0.148 CCCCC/C=C/CCC(=O)C 1458a_200015255902_200000210301 [0,0,0,0,0,0|1,0,0]=1 40 B11R0.148 CCCCC/C=C/CCC(=O)[13CH3] 1458a_200015255902_200025704644 [0,0,0,0,0,0|1,0,0]=1 41 B11R0.148 CCCCC/C=C/COC(C)C 34a_100016258190_100000210206 [0,0,0,0,0,0|3,0,1]=4 42 B11R0.148 CCCCC/C=C/COC(C)C 7a_100016258190_100000210206 [0,0,0,0,0,0|3,0,1]=4 43 B11R0.148 CCCCC=CC=NNC(=O)C 4a_100000189765_100016268198 [0,0,0,0,0,0|3,0,1]=4 44 B11R0.148 CCCCCC/C=C/CC(=O)C 1458a_100020681715_200000210301 [0,0,0,0,0,0|1,0,2]=3 45 B11R0.148 CCCCCC/C=C/CC(=O)[13CH3] 1458a_100020681715_200025704644 [0,0,0,0,0,0|1,0,2]=3 46 B11R0.148 CCCCCC=NNCC(C)O 4a_200000730056_100000737632 [0,0,0,0,0,0|3,0,1]=4 47 B11R0.148 CCCCCCC=NNC(=O)C 4a_100000189765_100000234349 [0,0,0,0,0,0|3,0,1]=4 48 B11R0.148 CCCCCCCCCC(=O)C 1458a_100000070787_100000210670 [0,0,0,0,0,0|1,0,2]=3 49 B11R0.148 CCCCCCCCCC(=O)C 1458a_100000210558_200000210301 [0,0,0,0,0,0|1,0,2]=3 50 B11R0.148 CCCCCCCCCC(=O)[13CH3] 1458a_100000210558_200025704644 [0,0,0,0,0,0|1,0,2]=3 51 B11R0.148 CCCCCCCCNC(=O)C 11a_100000229939_100015343762 [0,0,0,0,0,0|2,0,2]=4 52 B11R0.148 CCCCCCCCNC(=O)C 1626a_100000229939_100015343762 [0,0,0,0,0,0|2,0,2]=4 53 B11R0.148 CCCCCCCCNC(=O)C 240690a_100000229939_100015343762 [0,0,0,0,0,0|2,0,2]=4 54 B11R0.148 CCCCCCCCNC(=O)C 527a_100000229939_100103153847 [0,0,0,0,0,0|2,0,2]=4 55 B11R0.148 CCCCCCCNCC(=O)N 2230a_100000229938_100000747473 [0,0,0,0,0,0|2,0,2]=4 56 B11R0.148 CCCCCCCNCC(=O)N 2230a_100000711301_100000210681 [0,0,0,0,0,0|2,0,2]=4 57 B11R0.148 CCCCCCCNCC(=O)O 269956a_100016091260_100000210614 [0,0,0,0,0,0|1,0,2]=3 58 B11R0.148 CCCCCCCOCC(=O)C 34a_100000211253_100000210614 [0,0,0,0,0,0|2,0,2]=4 59 B11R0.148 CCCCCCCOCC(=O)N 34a_100000210272_100000187820 [0,0,0,0,0,0|2,0,2]=4 60 B11R0.148 CCCCCCCOCC(=O)N 7a_100000210272_100000187820 [0,0,0,0,0,0|2,0,2]=4 61 B11R0.148 CCCCCCCOCC(=O)[O-] 34a_100000210272_100020667443 [0,0,0,0,0,0|1,0,3]=4 62 B11R0.148 CCCCCCCSCC(=O)N 62a_100000210614_100000747473 [0,0,0,0,0,0|2,0,2]=4 63 B11R0.148 CCCCCCCSCC(=O)N 62a_100000747473_100000210316 [0,0,0,0,0,0|2,0,2]=4 64 B11R0.148 CCCCCCCSCC(=O)[O-] 62a_100000210614_100020667443 [0,0,0,0,0,0|1,0,3]=4 65 B11R0.148 CCCCCCCSCC(=O)[O-] 62a_100020667443_100000210316 [0,0,0,0,0,0|1,0,3]=4 66 B11R0.148 CCCCCCNCCC(=O)N 2230a_100000210581_100000744528 [0,0,0,0,0,0|2,0,1]=3 67 B11R0.148 CCCCCCNCCC(C)O 2230a_100000210581_100012276601 [0,0,0,0,0,0|2,0,2]=4 68 B11R0.148 CCCCCCNCCC(C)O 2230a_200000755665_100000210314 [0,0,0,0,0,0|2,0,2]=4 69 B11R0.148 CCCCCCNOCC(=O)O 269956a_100000106656_100000210757 [0,0,0,0,0,0|2,0,1]=3 70 B11R0.148 CCCCCCOCCC(=O)C 34a_100000759926_100000210314 [0,0,0,0,0,0|2,0,1]=3 71 B11R0.148 CCCCCCOCCC(=O)C 7a_100000210259_100000053229 [0,0,0,0,0,0|2,0,1]=3 72 B11R0.148 CCCCCCOCCC(=O)C 7a_100000759926_100000210314 [0,0,0,0,0,0|2,0,1]=3 73 B11R0.148 CCCCCCOCCC(=O)N 34a_100000210259_100000731001 [0,0,0,0,0,0|2,0,1]=3 74 B11R0.148 CCCCCCOCCC(=O)N 34a_100000757172_100000210314 [0,0,0,0,0,0|2,0,1]=3 75 B11R0.148 CCCCCCOCCC(=O)N 7a_100000210259_100000744528 [0,0,0,0,0,0|2,0,1]=3 76 B11R0.148 CCCCCCOCCC(=O)N 7a_100000757172_100000210314 [0,0,0,0,0,0|2,0,1]=3 77 B11R0.148 CCCCCCOCCC(C)O 34a_100000210259_100012276601 [0,0,0,0,0,0|2,0,2]=4 78 B11R0.148 CCCCCCOCCC(C)O 7a_100000210259_100012276601 [0,0,0,0,0,0|2,0,2]=4 79 B11R0.148 CCCCCCOCOC(=O)C 34a_100000210259_100009813279 [0,0,0,0,0,0|3,0,1]=4 80 B11R0.148 CCCCCCSCCC(=O)C 62a_100000053229_100000210757 [0,0,0,0,0,0|2,0,1]=3 81 B11R0.148 CCCCCCSCCC(=O)C 62a_100000210314_100000053229 [0,0,0,0,0,0|2,0,1]=3 82 B11R0.148 CCCCCCSCCC(=O)N 62a_100000210314_100000744528 [0,0,0,0,0,0|2,0,1]=3 83 B11R0.148 CCCCCCSCCC(=O)N 62a_100000744528_100000210757 [0,0,0,0,0,0|2,0,1]=3 84 B11R0.148 CCCCCCSCCC(C)O 62a_100000210314_100012276601 [0,0,0,0,0,0|2,0,2]=4 85 B11R0.148 CCCCCCSCCC(C)O 62a_100012276601_100000210757 [0,0,0,0,0,0|2,0,2]=4 86 B11R0.148 CCCCCCSCOC(=O)C 62a_100000076356_100000210757 [0,0,0,0,0,0|3,0,1]=4 87 B11R0.148 CCCCCCSCOC(=O)C 62a_100000210314_100000076356 [0,0,0,0,0,0|3,0,1]=4 88 B11R0.148 CCCCCNCCCC(=O)N 34a_100000739312_100000718602 [0,0,0,0,0,0|2,0,1]=3 89 B11R0.148 CCCCCNCCCC(C)O 2230a_100000209983_200000718107 [0,0,0,0,0,0|2,0,2]=4 90 B11R0.148 CCCCCNCCCS(=O)C 2230a_200000753449_100000210326 [0,0,0,0,0,0|3,0,1]=4 91 B11R0.148 CCCCCNCCNC(=O)C 2230a_100000209853_100000210326 [0,0,0,0,0,0|3,0,1]=4 92 B11R0.148 CCCCCNCCNC(=O)C 2230a_100000209983_100000189650 [0,0,0,0,0,0|3,0,1]=4 93 B11R0.148 CCCCCNCCNC(=O)N 2230a_100000209983_200000034859 [0,0,0,0,0,0|3,0,1]=4 94 B11R0.148 CCCCCNCCNC(=O)N 34a_100020590234_100000718602 [0,0,0,0,0,0|3,0,1]=4 95 B11R0.148 CCCCCOCCCC(=O)C 34a_100000210253_100000685027 [0,0,0,0,0,0|2,0,1]=3 96 B11R0.148 CCCCCOCCCC(=O)C 34a_100000759063_100000718602 [0,0,0,0,0,0|2,0,1]=3 97 B11R0.148 CCCCCOCCCC(=O)C 7a_100000210253_100011215641 [0,0,0,0,0,0|2,0,1]=3 98 B11R0.148 CCCCCOCCCC(=O)C 7a_100000759063_100000210326 [0,0,0,0,0,0|2,0,1]=3 99 B11R0.148 CCCCCOCCCC(=O)N 34a_100000210253_100102525003 [0,0,0,0,0,0|2,0,1]=3 100 B11R0.148 CCCCCOCCCC(=O)N 7a_100000210253_100102525003 [0,0,0,0,0,0|2,0,1]=3 101 B11R0.148 CCCCCOCCCC(C)O 34a_100000210253_200000718107 [0,0,0,0,0,0|2,0,2]=4 102 B11R0.148 CCCCCOCCCC(C)O 7a_100000210253_200000718107 [0,0,0,0,0,0|2,0,2]=4 103 B11R0.148 CCCCCOCCC[N+](=O)[O-] 34a_200000037920_100000718602 [0,0,0,0,0,0|2,0,2]=4 104 B11R0.148 CCCCCOCCNC(=O)C 34a_100000158858_100000718602 [0,0,0,0,0,0|3,0,1]=4 105 B11R0.148 CCCCCOCCNC(=O)C 7a_100000210253_100000189650 [0,0,0,0,0,0|3,0,1]=4 106 B11R0.148 CCCCCOCCNC(=O)N 34a_100000181757_100000718602 [0,0,0,0,0,0|3,0,1]=4 107 B11R0.148 CCCCCOCCNC(=O)N 7a_100000210253_200000034859 [0,0,0,0,0,0|3,0,1]=4 108 B11R0.148 CCCCCOCCOC(=O)C 34a_100000210253_100009814007 [0,0,0,0,0,0|3,0,1]=4 109 B11R0.148 CCCCCOCCOC(=O)C 7a_100000210253_100009814007 [0,0,0,0,0,0|3,0,1]=4 110 B11R0.148 CCCCCOCCOC(=O)N 34a_100000210253_200011214921 [0,0,0,0,0,0|3,0,1]=4 111 B11R0.148 CCCCCOCCOC(=O)N 7a_100000210253_200011214921 [0,0,0,0,0,0|3,0,1]=4 112 B11R0.148 CCCCCOCCOC(=O)N 7a_100000766696_100000210326 [0,0,0,0,0,0|3,0,1]=4 113 B11R0.148 CCCCCSCCCC(=O)C 62a_100000210326_100011215641 [0,0,0,0,0,0|2,0,1]=3 114 B11R0.148 CCCCCSCCCC(=O)C 62a_100011215641_100000210326 [0,0,0,0,0,0|2,0,1]=3 115 B11R0.148 CCCCCSCCCC(=O)N 62a_100000210326_100102525003 [0,0,0,0,0,0|2,0,1]=3 116 B11R0.148 CCCCCSCCCC(=O)N 62a_100102525003_100000210326 [0,0,0,0,0,0|2,0,1]=3 117 B11R0.148 CCCCCSCCCC(C)O 62a_100000210326_200000718107 [0,0,0,0,0,0|2,0,2]=4 118 B11R0.148 CCCCCSCCCC(C)O 62a_200000718107_100000210326 [0,0,0,0,0,0|2,0,2]=4 119 B11R0.148 CCCCCSCCNC(=O)C 62a_100000189650_100000210326 [0,0,0,0,0,0|3,0,1]=4 120 B11R0.148 CCCCCSCCNC(=O)C 62a_100000210326_100000189650 [0,0,0,0,0,0|3,0,1]=4 121 B11R0.148 CCCCCSCCNC(=O)N 62a_100000210326_200000034859 [0,0,0,0,0,0|3,0,1]=4 122 B11R0.148 CCCCCSCCNC(=O)N 62a_200000034859_100000210326 [0,0,0,0,0,0|3,0,1]=4 123 B11R0.148 CCCCCSCCOC(=O)C 62a_100000210326_100009814007 [0,0,0,0,0,0|3,0,1]=4 124 B11R0.148 CCCCCSCCOC(=O)C 62a_100009814007_100000210326 [0,0,0,0,0,0|3,0,1]=4 125 B11R0.148 CCCCCSCCOC(=O)N 62a_100000210326_200011214921 [0,0,0,0,0,0|3,0,1]=4 126 B11R0.148 CCCCCSCCOC(=O)N 62a_200011214921_100000210326 [0,0,0,0,0,0|3,0,1]=4 127 B11R0.148 CCCCNCCCCC(=O)C 7a_106832991798_100000735457 [0,0,0,0,0,0|2,0,2]=4 128 B11R0.148 CCCCNCCCCC(=O)N 34a_100000696515_100000210210 [0,0,0,0,0,0|2,0,2]=4 129 B11R0.148 CCCCNCCOCC(=O)O 269956a_100000700818_100000210211 [0,0,0,0,0,0|2,0,2]=4 130 B11R0.148 CCCCOCCCCC(=O)C 34a_100000210227_100009817362 [0,0,0,0,0,0|2,0,2]=4 131 B11R0.148 CCCCOCCCCC(=O)C 7a_100000210227_100000735457 [0,0,0,0,0,0|2,0,2]=4 132 B11R0.148 CCCCOCCCCC(=O)N 34a_100012022536_100000210210 [0,0,0,0,0,0|2,0,2]=4 133 B11R0.148 CCCCOCCCCC(=O)N 7a_100012022536_100000210211 [0,0,0,0,0,0|2,0,2]=4 134 B11R0.148 CCCCOCCNCC(=O)O 269956a_100016091260_100000743108 [0,0,0,0,0,0|2,0,2]=4 135 B11R0.148 CCCCOCNOCC(=O)O 269956a_100000106656_100011995733 [0,0,0,0,0,0|3,0,1]=4 136 B11R0.148 CCCCOCOCCC(=O)C 34a_100000759926_100011995733 [0,0,0,0,0,0|3,0,1]=4 137 B11R0.148 CCCCOCOCCC(=O)N 34a_100000757172_100011995733 [0,0,0,0,0,0|3,0,1]=4 138 B11R0.148 CCCCOCSCCC(=O)C 62a_100000053229_100011995733 [0,0,0,0,0,0|3,0,1]=4 139 B11R0.148 CCCCOCSCCC(=O)C 62a_100011995733_100000053229 [0,0,0,0,0,0|3,0,1]=4 140 B11R0.148 CCCCOCSCCC(=O)N 62a_100000744528_100011995733 [0,0,0,0,0,0|3,0,1]=4 141 B11R0.148 CCCCOCSCCC(=O)N 62a_100011995733_100000744528 [0,0,0,0,0,0|3,0,1]=4 142 B11R0.148 CCCCSCCCCC(=O)C 62a_100000210211_100000735457 [0,0,0,0,0,0|2,0,2]=4 143 B11R0.148 CCCCSCCCCC(=O)C 62a_100000735457_100000210210 [0,0,0,0,0,0|2,0,2]=4 144 B11R0.148 CCCOCCCCCC(=O)N 34a_100000123541_100000210303 [0,0,0,0,0,0|2,0,2]=4 145 B11R0.148 CCCOCCCCCC(=O)N 34a_100000210258_100009817443 [0,0,0,0,0,0|2,0,2]=4 146 B11R0.148 CCCOCCCCCC(=O)N 7a_100000123541_100000210303 [0,0,0,0,0,0|2,0,2]=4 147 B11R0.148 CCCOCCCCCC(=O)[O-] 7a_100102619762_100000210303 [0,0,0,0,0,0|1,0,3]=4 148 B11R0.148 CCCOCCNCCC(=O)N 2230a_100161115042_100000744528 [0,0,0,0,0,0|3,0,1]=4 149 B11R0.148 CCCOCCNCCC(=O)N 34a_100161115042_100000731001 [0,0,0,0,0,0|3,0,1]=4 150 B11R0.148 CCCOCCNOCC(=O)O 269956a_100000106656_100011215938 [0,0,0,0,0,0|3,0,1]=4 151 B11R0.148 CCCOCCOCCC(=O)C 34a_100000759926_100011215938 [0,0,0,0,0,0|3,0,1]=4 152 B11R0.148 CCCOCCOCCC(=O)C 7a_100000752267_100000053229 [0,0,0,0,0,0|3,0,1]=4 153 B11R0.148 CCCOCCOCCC(=O)C 7a_100000759926_100011215938 [0,0,0,0,0,0|3,0,1]=4 154 B11R0.148 CCCOCCOCCC(=O)N 34a_100000752267_100000731001 [0,0,0,0,0,0|3,0,1]=4 155 B11R0.148 CCCOCCOCCC(=O)N 34a_100000757172_100011215938 [0,0,0,0,0,0|3,0,1]=4 156 B11R0.148 CCCOCCOCCC(=O)N 7a_100000752267_100000744528 [0,0,0,0,0,0|3,0,1]=4 157 B11R0.148 CCCOCCOCCC(=O)N 7a_100000757172_100011215938 [0,0,0,0,0,0|3,0,1]=4 158 B11R0.148 CCCOCCSCCC(=O)C 62a_100000053229_100011215938 [0,0,0,0,0,0|3,0,1]=4 159 B11R0.148 CCCOCCSCCC(=O)C 62a_100011215938_100000053229 [0,0,0,0,0,0|3,0,1]=4 160 B11R0.148 CCCOCCSCCC(=O)N 62a_100000744528_100011215938 [0,0,0,0,0,0|3,0,1]=4 161 B11R0.148 CCCOCCSCCC(=O)N 62a_100011215938_100000744528 [0,0,0,0,0,0|3,0,1]=4 162 B11R0.148 CCCSCCCCCC(=O)N 62a_100000210303_100009817443 [0,0,0,0,0,0|2,0,2]=4 163 B11R0.148 CCCSCCCCCC(=O)N 62a_100009817443_100000210303 [0,0,0,0,0,0|2,0,2]=4 164 B11R0.148 CCCSCCNCCC(=O)N 2230a_100020603323_100000744528 [0,0,0,0,0,0|3,0,1]=4 165 B11R0.148 CCCSCCOCCC(=O)C 7a_200000230433_100000053229 [0,0,0,0,0,0|3,0,1]=4 166 B11R0.148 CCCSCCOCCC(=O)N 34a_200000230433_100000731001 [0,0,0,0,0,0|3,0,1]=4 167 B11R0.148 CCCSCCOCCC(=O)N 7a_200000230433_100000744528 [0,0,0,0,0,0|3,0,1]=4 168 B11R0.148 CCOCCCNCCC(=O)N 2230a_100000210961_100000744528 [0,0,0,0,0,0|3,0,1]=4 169 B11R0.148 CCOCCCNCCC(=O)N 34a_100000210961_100000731001 [0,0,0,0,0,0|3,0,1]=4 170 B11R0.148 CCOCCCNOCC(=O)O 269956a_100000106656_100012232248 [0,0,0,0,0,0|3,0,1]=4 171 B11R0.148 CCOCCCOCCC(=O)C 34a_100000759926_100012232248 [0,0,0,0,0,0|3,0,1]=4 172 B11R0.148 CCOCCCOCCC(=O)C 7a_100000757476_100000053229 [0,0,0,0,0,0|3,0,1]=4 173 B11R0.148 CCOCCCOCCC(=O)C 7a_100000759926_100012232248 [0,0,0,0,0,0|3,0,1]=4 174 B11R0.148 CCOCCCOCCC(=O)N 34a_100000757172_100012232248 [0,0,0,0,0,0|3,0,1]=4 175 B11R0.148 CCOCCCOCCC(=O)N 34a_100000757476_100000731001 [0,0,0,0,0,0|3,0,1]=4 176 B11R0.148 CCOCCCOCCC(=O)N 7a_100000757172_100012232248 [0,0,0,0,0,0|3,0,1]=4 177 B11R0.148 CCOCCCOCCC(=O)N 7a_100000757476_100000744528 [0,0,0,0,0,0|3,0,1]=4 178 B11R0.148 CCOCCCSCCC(=O)C 62a_100000053229_100012232248 [0,0,0,0,0,0|3,0,1]=4 179 B11R0.148 CCOCCCSCCC(=O)C 62a_100012232248_100000053229 [0,0,0,0,0,0|3,0,1]=4 180 B11R0.148 CCOCCCSCCC(=O)N 62a_100000744528_100012232248 [0,0,0,0,0,0|3,0,1]=4 181 B11R0.148 CCOCCCSCCC(=O)N 62a_100012232248_100000744528 [0,0,0,0,0,0|3,0,1]=4 182 B11R0.148 CCOCCNCCCC(=O)C 34a_102516460346_100000685027 [0,0,0,0,0,0|3,0,1]=4 183 B11R0.148 CCOCCNCCCC(=O)N 34a_100000739312_100000210147 [0,0,0,0,0,0|3,0,1]=4 184 B11R0.148 CCOCCNCCCC(=O)N 34a_102516460346_100102525003 [0,0,0,0,0,0|3,0,1]=4 185 B11R0.148 CCOCCOCCCC(=O)C 34a_100000210136_100000685027 [0,0,0,0,0,0|3,0,1]=4 186 B11R0.148 CCOCCOCCCC(=O)C 34a_100000759063_100000210147 [0,0,0,0,0,0|3,0,1]=4 187 B11R0.148 CCOCCOCCCC(=O)C 7a_100000210136_100011215641 [0,0,0,0,0,0|3,0,1]=4 188 B11R0.148 CCOCCOCCCC(=O)C 7a_100000759063_100011215890 [0,0,0,0,0,0|3,0,1]=4 189 B11R0.148 CCOCCOCCCC(=O)N 34a_100000210136_100102525003 [0,0,0,0,0,0|3,0,1]=4 190 B11R0.148 CCOCCOCCCC(=O)N 7a_100000210136_100102525003 [0,0,0,0,0,0|3,0,1]=4 191 B11R0.148 CCOCCSCCCC(=O)C 62a_100000210147_100011215641 [0,0,0,0,0,0|3,0,1]=4 192 B11R0.148 CCOCCSCCCC(=O)C 62a_100011215641_100011215890 [0,0,0,0,0,0|3,0,1]=4 193 B11R0.148 CCOCCSCCCC(=O)N 62a_100000210147_100102525003 [0,0,0,0,0,0|3,0,1]=4 194 B11R0.148 CCOCCSCCCC(=O)N 62a_100102525003_100011215890 [0,0,0,0,0,0|3,0,1]=4 195 B11R0.148 CCSCCCOCCC(=O)C 7a_100011216438_100000053229 [0,0,0,0,0,0|3,0,1]=4 196 B11R0.148 CCSCCCOCCC(=O)N 34a_100011216438_100000731001 [0,0,0,0,0,0|3,0,1]=4 197 B11R0.148 CCSCCCOCCC(=O)N 7a_100011216438_100000744528 [0,0,0,0,0,0|3,0,1]=4 198 B11R0.148 CCSCCNCCCC(=O)N 34a_100000739312_100000757381 [0,0,0,0,0,0|3,0,1]=4 199 B11R0.148 CCSCCOCCCC(=O)C 34a_100000212035_100000685027 [0,0,0,0,0,0|3,0,1]=4 200 B11R0.148 CCSCCOCCCC(=O)C 34a_100000759063_100000757381 [0,0,0,0,0,0|3,0,1]=4 201 B11R0.148 CCSCCOCCCC(=O)C 7a_100000212035_100011215641 [0,0,0,0,0,0|3,0,1]=4 202 B11R0.148 CCSCCOCCCC(=O)C 7a_100000759063_100000757381 [0,0,0,0,0,0|3,0,1]=4 203 B11R0.148 CCSCCOCCCC(=O)N 34a_100000212035_100102525003 [0,0,0,0,0,0|3,0,1]=4 204 B11R0.148 CCSCCOCCCC(=O)N 7a_100000212035_100102525003 [0,0,0,0,0,0|3,0,1]=4 205 B11R0.148 CCSCCSCCCC(=O)C 62a_100000757381_100011215641 [0,0,0,0,0,0|3,0,1]=4 206 B11R0.148 CCSCCSCCCC(=O)C 62a_100011215641_100000757381 [0,0,0,0,0,0|3,0,1]=4 207 B11R0.148 CCSCCSCCCC(=O)N 62a_100000757381_100102525003 [0,0,0,0,0,0|3,0,1]=4 208 B11R0.148 CCSCCSCCCC(=O)N 62a_100102525003_100000757381 [0,0,0,0,0,0|3,0,1]=4 209 B11R0.148 CNCCCOCCCC(=O)C 34a_100000213112_100000685027 [0,0,0,0,0,0|3,0,1]=4 210 B11R0.148 CNCCCOCCCC(=O)N 34a_100000213112_100102525003 [0,0,0,0,0,0|3,0,1]=4 211 B11R0.148 COCCCCNOCC(=O)O 269956a_100000106656_100000730899 [0,0,0,0,0,0|3,0,1]=4 212 B11R0.148 COCCCCOCCC(=O)C 34a_100000759926_100000755781 [0,0,0,0,0,0|3,0,1]=4 213 B11R0.148 COCCCCOCCC(=O)C 7a_100000759926_100000730899 [0,0,0,0,0,0|3,0,1]=4 214 B11R0.148 COCCCCOCCC(=O)N 34a_100000740925_100000731001 [0,0,0,0,0,0|3,0,1]=4 215 B11R0.148 COCCCCOCCC(=O)N 34a_100000757172_100000755781 [0,0,0,0,0,0|3,0,1]=4 216 B11R0.148 COCCCCOCCC(=O)N 7a_100000757172_100000730899 [0,0,0,0,0,0|3,0,1]=4 217 B11R0.148 COCCCCSCCC(=O)C 62a_100000053229_100000730899 [0,0,0,0,0,0|3,0,1]=4 218 B11R0.148 COCCCCSCCC(=O)C 62a_100000730899_100000053229 [0,0,0,0,0,0|3,0,1]=4 219 B11R0.148 COCCCCSCCC(=O)N 62a_100000730899_100000744528 [0,0,0,0,0,0|3,0,1]=4 220 B11R0.148 COCCCCSCCC(=O)N 62a_100000744528_100000730899 [0,0,0,0,0,0|3,0,1]=4 221 B11R0.148 COCCCNCCCC(=O)C 34a_100150723488_100000685027 [0,0,0,0,0,0|3,0,1]=4 222 B11R0.148 COCCCNCCCC(=O)N 34a_100000739312_100000740836 [0,0,0,0,0,0|3,0,1]=4 223 B11R0.148 COCCCNCCCC(=O)N 34a_100150723488_100102525003 [0,0,0,0,0,0|3,0,1]=4 224 B11R0.148 COCCCOCCCC(=O)C 34a_100000740835_100000685027 [0,0,0,0,0,0|3,0,1]=4 225 B11R0.148 COCCCOCCCC(=O)C 34a_100000759063_100000740836 [0,0,0,0,0,0|3,0,1]=4 226 B11R0.148 COCCCOCCCC(=O)C 7a_100000759063_100000740836 [0,0,0,0,0,0|3,0,1]=4 227 B11R0.148 COCCCOCCCC(=O)N 34a_100000740835_100102525003 [0,0,0,0,0,0|3,0,1]=4 228 B11R0.148 COCCCSCCCC(=O)C 62a_100000709357_100011215641 [0,0,0,0,0,0|3,0,1]=4 229 B11R0.148 COCCCSCCCC(=O)C 62a_100011215641_100000709357 [0,0,0,0,0,0|3,0,1]=4 230 B11R0.148 COCCCSCCCC(=O)N 62a_100000709357_100102525003 [0,0,0,0,0,0|3,0,1]=4 231 B11R0.148 COCCCSCCCC(=O)N 62a_100102525003_100000709357 [0,0,0,0,0,0|3,0,1]=4 232 B11R0.148 CSCCCCOCCC(=O)C 7a_100011217163_100000053229 [0,0,0,0,0,0|3,0,1]=4 233 B11R0.148 CSCCCCOCCC(=O)N 34a_100011217163_100000731001 [0,0,0,0,0,0|3,0,1]=4 234 B11R0.148 CSCCCCOCCC(=O)N 7a_100011217163_100000744528 [0,0,0,0,0,0|3,0,1]=4 235 B11R0.148 CSCCCOCCCC(=O)C 34a_100000690336_100000685027 [0,0,0,0,0,0|3,0,1]=4 236 B11R0.148 CSCCCOCCCC(=O)C 7a_100000690336_100011215641 [0,0,0,0,0,0|3,0,1]=4 237 B11R0.148 CSCCCOCCCC(=O)N 34a_100000690336_100102525003 [0,0,0,0,0,0|3,0,1]=4 238 B11R0.148 CSCCCOCCCC(=O)N 7a_100000690336_100102525003 [0,0,0,0,0,0|3,0,1]=4 239 B11R0.148 NC(=O)CCCNCCCCF 34a_100000739312_100000729493 [0,0,0,0,0,0|3,0,1]=4 240 B11R0.148 NC(=O)CCCNCCCCO 34a_100000739312_100011216708 [0,0,0,0,0,0|3,0,1]=4 241 B11R0.148 NC(=O)CCCNCCCCO 34a_100000750430_100102525003 [0,0,0,0,0,0|3,0,1]=4 242 B11R0.148 NC(=O)CCCOCCCCBr 34a_100011216708_100102525003 [0,0,0,0,0,0|3,0,1]=4 243 B11R0.148 NC(=O)CCCOCCCCCl 34a_100000210776_100102525003 [0,0,0,0,0,0|3,0,1]=4 244 B11R0.148 NC(=O)CCCOCCCCCl 7a_100000210776_100102525003 [0,0,0,0,0,0|3,0,1]=4 245 B11R0.148 NC(=O)CCCOCCCCF 34a_100011995726_100102525003 [0,0,0,0,0,0|3,0,1]=4 246 B11R0.148 NC(=O)CCCOCCCCF 7a_100011995726_100102525003 [0,0,0,0,0,0|3,0,1]=4 247 B11R0.148 NC(=O)CCCOCCCCI 34a_200012148704_100102525003 [0,0,0,0,0,0|3,0,1]=4 248 B11R0.148 NC(=O)CCCSCCCCF 62a_100000729493_100102525003 [0,0,0,0,0,0|3,0,1]=4 249 B11R0.148 NC(=O)CCCSCCCCF 62a_100102525003_100000729493 [0,0,0,0,0,0|3,0,1]=4 250 B11R0.148 NC(=O)CCCSCCCCO 62a_100000210776_100102525003 [0,0,0,0,0,0|3,0,1]=4 251 B11R0.148 NC(=O)CCCSCCCCO 62a_100102525003_100000210776 [0,0,0,0,0,0|3,0,1]=4 252 B11R0.148 NC(=O)CCNCCCCCO 2230a_100000762737_100000744528 [0,0,0,0,0,0|3,0,1]=4 253 B11R0.148 NC(=O)CCNCCCCCO 34a_100000762737_100000731001 [0,0,0,0,0,0|3,0,1]=4 254 B11R0.148 NC(=O)CCOCCCCCBr 34a_100000746331_100000731001 [0,0,0,0,0,0|3,0,1]=4 255 B11R0.148 NC(=O)CCOCCCCCBr 7a_100000746331_100000744528 [0,0,0,0,0,0|3,0,1]=4 256 B11R0.148 NC(=O)CCOCCCCCCl 34a_100000746330_100000731001 [0,0,0,0,0,0|3,0,1]=4 257 B11R0.148 NC(=O)CCOCCCCCCl 7a_100000746330_100000744528 [0,0,0,0,0,0|3,0,1]=4 258 B11R0.148 NC(=O)CCOCCCCCF 34a_100000757172_100000729378 [0,0,0,0,0,0|3,0,1]=4 259 B11R0.148 NC(=O)CCOCCCCCF 7a_100000757172_100000729378 [0,0,0,0,0,0|3,0,1]=4 260 B11R0.148 NC(=O)CCOCCCCCI 34a_200012148887_100000731001 [0,0,0,0,0,0|3,0,1]=4 261 B11R0.148 NC(=O)CCOCCCCCI 7a_200012148887_100000744528 [0,0,0,0,0,0|3,0,1]=4 262 B11R0.148 NC(=O)CCOCCCCCO 34a_100000757172_100000746330 [0,0,0,0,0,0|3,0,1]=4 263 B11R0.148 NC(=O)CCOCCCCCO 7a_100000757172_100000746330 [0,0,0,0,0,0|3,0,1]=4 264 B11R0.148 NC(=O)CCSCCCCCF 62a_100000729378_100000744528 [0,0,0,0,0,0|3,0,1]=4 265 B11R0.148 NC(=O)CCSCCCCCF 62a_100000744528_100000729378 [0,0,0,0,0,0|3,0,1]=4 266 B11R0.148 NC(=O)CCSCCCCCO 62a_100000744528_100000746330 [0,0,0,0,0,0|3,0,1]=4 267 B11R0.148 NC(=O)CCSCCCCCO 62a_100000746330_100000744528 [0,0,0,0,0,0|3,0,1]=4 268 B11R0.148 NCCCCCOCCC(=O)N 34a_100000762737_100000731001 [0,0,0,0,0,0|3,0,1]=4 269 B11R0.148 NCCCCOCCCC(=O)N 34a_100000750430_100102525003 [0,0,0,0,0,0|3,0,1]=4 270 B11R0.148 O=C(O)CNCCCCCCF 269956a_100016091260_100015922095 [0,0,0,0,0,0|2,0,2]=4 271 B11R0.148 O=C(O)CNCCCCCCO 269956a_100016091260_100000766143 [0,0,0,0,0,0|2,0,2]=4 272 B11R0.148 O=C(O)CONCCCCCF 269956a_100000106656_100000729378 [0,0,0,0,0,0|3,0,1]=4 273 B11R0.148 O=C(O)CONCCCCCO 269956a_100000106656_100000746330 [0,0,0,0,0,0|3,0,1]=4 274 B10R0.4 C=C(Br)CCOCCCCC 34a_100009813270_100000718602 [1,0,0,0,0,0|3,0,0]=4 275 B10R0.4 C=C(C)CCNCCCCC 2230a_100000209983_100000730704 [1,0,0,0,0,0|3,0,0]=4 276 B10R0.4 C=C(C)CCOCCCCC 34a_100000210253_100000730704 [1,0,0,0,0,0|3,0,0]=4 277 B10R0.4 C=C(C)CCOCCCCC 34a_100000764851_100000718602 [1,0,0,0,0,0|3,0,0]=4 278 B10R0.4 C=C(C)CCOCCCCC 7a_100000210253_100000730704 [1,0,0,0,0,0|3,0,0]=4 279 B10R0.4 C=C(C)CCSCCCCC 62a_100000210326_100000730704 [1,0,0,0,0,0|3,0,0]=4 280 B10R0.4 C=C(C)CCSCCCCC 62a_100000730704_100000210326 [1,0,0,0,0,0|3,0,0]=4 281 B10R0.4 CC(=O)CCCCCCCO 1458a_100000070787_100000760002 [1,0,0,0,0,0|2,0,1]=4 282 B10R0.4 CC(=O)CCCCCCCO 1458a_100011219782_200000210301 [1,0,0,0,0,0|2,0,1]=4 283 B10R0.4 CC(=O)CCOCCCCCl 7a_100000210776_100000053229 [1,0,0,0,0,0|3,0,0]=4 284 B10R0.4 CC(=O)CCOCCCCF 34a_100000759926_100000729493 [1,0,0,0,0,0|3,0,0]=4 285 B10R0.4 CC(=O)CCOCCCCF 7a_100000759926_100000729493 [1,0,0,0,0,0|3,0,0]=4 286 B10R0.4 CC(=O)CCOCCCCF 7a_100011995726_100000053229 [1,0,0,0,0,0|3,0,0]=4 287 B10R0.4 CC(=O)CCOCCCCO 34a_100000759926_100011216708 [1,0,0,0,0,0|3,0,0]=4 288 B10R0.4 CC(=O)CCOCCCCO 7a_100000759926_100000210776 [1,0,0,0,0,0|3,0,0]=4 289 B10R0.4 CC(=O)CCSCCCCF 62a_100000053229_100000729493 [1,0,0,0,0,0|3,0,0]=4 290 B10R0.4 CC(=O)CCSCCCCF 62a_100000729493_100000053229 [1,0,0,0,0,0|3,0,0]=4 291 B10R0.4 CC(=O)CCSCCCCO 62a_100000053229_100000210776 [1,0,0,0,0,0|3,0,0]=4 292 B10R0.4 CC(=O)CCSCCCCO 62a_100000210776_100000053229 [1,0,0,0,0,0|3,0,0]=4 293 B10R0.4 CCCCC/C=C/CC(=O)C 1458a_100020675968_200000210301 [1,0,0,0,0,0|1,0,0]=2 294 B10R0.4 CCCCC/C=C/CC(=O)[13CH3] 1458a_100020675968_200025704644 [1,0,0,0,0,0|1,0,0]=2 295 B10R0.4 CCCCCC#CCC(=O)C 1458a_100000070787_100009816472 [1,0,0,0,0,0|1,0,2]=4 296 B10R0.4 CCCCCC=NNC(=O)C 4a_100000189765_100000737632 [1,0,0,0,0,0|3,0,0]=4 297 B10R0.4 CCCCCCC=CC(=O)C 1458a_200015324643_200000210301 [1,0,0,0,0,0|1,0,2]=4 298 B10R0.4 CCCCCCC=CC(=O)[13CH3] 1458a_200015324643_200025704644 [1,0,0,0,0,0|1,0,2]=4 299 B10R0.4 CCCCCCCCC(=O)C 1458a_100000070787_100000210759 [1,0,0,0,0,0|1,0,1]=3 300 B10R0.4 CCCCCCCCC(=O)C 1458a_100000210188_200000210301 [1,0,0,0,0,0|1,0,1]=3 301 B10R0.4 CCCCCCCCC(=O)[13CH3] 1458a_100000210188_200025704644 [1,0,0,0,0,0|1,0,1]=3 302 B10R0.4 CCCCCCCNC(=O)C 11a_100000229938_100015343762 [1,0,0,0,0,0|2,0,1]=4 303 B10R0.4 CCCCCCCNC(=O)C 1626a_100000229938_100015343762 [1,0,0,0,0,0|2,0,1]=4 304 B10R0.4 CCCCCCCNC(=O)C 240690a_100000229938_100015343762 [1,0,0,0,0,0|2,0,1]=4 305 B10R0.4 CCCCCCCNC(=O)C 527a_100000229938_100103153847 [1,0,0,0,0,0|2,0,1]=4 306 B10R0.4 CCCCCCNCC(=O)N 2230a_100000210581_100000747473 [1,0,0,0,0,0|2,0,1]=4 307 B10R0.4 CCCCCCNCC(=O)N 2230a_100000711301_100000210314 [1,0,0,0,0,0|2,0,1]=4 308 B10R0.4 CCCCCCNCC(=O)O 269956a_100016091260_100000210757 [1,0,0,0,0,0|1,0,1]=3 309 B10R0.4 CCCCCCOCC(=O)C 34a_100000211253_100000210314 [1,0,0,0,0,0|2,0,1]=4 310 B10R0.4 CCCCCCOCC(=O)N 34a_100000210259_100000187820 [1,0,0,0,0,0|2,0,1]=4 311 B10R0.4 CCCCCCOCC(=O)N 7a_100000210259_100000187820 [1,0,0,0,0,0|2,0,1]=4 312 B10R0.4 CCCCCCOCC(=O)[O-] 34a_100000210259_100020667443 [1,0,0,0,0,0|1,0,2]=4 313 B10R0.4 CCCCCCSCC(=O)N 62a_100000210314_100000747473 [1,0,0,0,0,0|2,0,1]=4 314 B10R0.4 CCCCCCSCC(=O)N 62a_100000747473_100000210757 [1,0,0,0,0,0|2,0,1]=4 315 B10R0.4 CCCCCCSCC(=O)[O-] 62a_100000210314_100020667443 [1,0,0,0,0,0|1,0,2]=4 316 B10R0.4 CCCCCCSCC(=O)[O-] 62a_100020667443_100000210757 [1,0,0,0,0,0|1,0,2]=4 317 B10R0.4 CCCCCNCCC(=O)N 2230a_100000209983_100000744528 [1,0,0,0,0,0|2,0,0]=3 318 B10R0.4 CCCCCNCCC(C)O 2230a_100000209983_100012276601 [1,0,0,0,0,0|2,0,1]=4 319 B10R0.4 CCCCCNCCC(C)O 2230a_200000755665_100000210326 [1,0,0,0,0,0|2,0,1]=4 320 B10R0.4 CCCCCNOCC(=O)O 269956a_100000106656_100000210326 [1,0,0,0,0,0|2,0,0]=3 321 B10R0.4 CCCCCOCCC(=O)C 34a_100000759926_100000718602 [1,0,0,0,0,0|2,0,0]=3 322 B10R0.4 CCCCCOCCC(=O)C 7a_100000210253_100000053229 [1,0,0,0,0,0|2,0,0]=3 323 B10R0.4 CCCCCOCCC(=O)C 7a_100000759926_100000210326 [1,0,0,0,0,0|2,0,0]=3 324 B10R0.4 CCCCCOCCC(=O)N 34a_100000210253_100000731001 [1,0,0,0,0,0|2,0,0]=3 325 B10R0.4 CCCCCOCCC(=O)N 34a_100000757172_100000718602 [1,0,0,0,0,0|2,0,0]=3 326 B10R0.4 CCCCCOCCC(=O)N 7a_100000210253_100000744528 [1,0,0,0,0,0|2,0,0]=3 327 B10R0.4 CCCCCOCCC(=O)N 7a_100000757172_100000210326 [1,0,0,0,0,0|2,0,0]=3 328 B10R0.4 CCCCCOCCC(C)O 34a_100000210253_100012276601 [1,0,0,0,0,0|2,0,1]=4 329 B10R0.4 CCCCCOCCC(C)O 7a_100000210253_100012276601 [1,0,0,0,0,0|2,0,1]=4 330 B10R0.4 CCCCCOCOC(=O)C 34a_100000210253_100009813279 [1,0,0,0,0,0|3,0,0]=4 331 B10R0.4 CCCCCSCCC(=O)C 62a_100000053229_100000210326 [1,0,0,0,0,0|2,0,0]=3 332 B10R0.4 CCCCCSCCC(=O)C 62a_100000210326_100000053229 [1,0,0,0,0,0|2,0,0]=3 333 B10R0.4 CCCCCSCCC(=O)N 62a_100000210326_100000744528 [1,0,0,0,0,0|2,0,0]=3 334 B10R0.4 CCCCCSCCC(=O)N 62a_100000744528_100000210326 [1,0,0,0,0,0|2,0,0]=3 335 B10R0.4 CCCCCSCCC(C)O 62a_100000210326_100012276601 [1,0,0,0,0,0|2,0,1]=4 336 B10R0.4 CCCCCSCCC(C)O 62a_100012276601_100000210326 [1,0,0,0,0,0|2,0,1]=4 337 B10R0.4 CCCCCSCOC(=O)C 62a_100000076356_100000210326 [1,0,0,0,0,0|3,0,0]=4 338 B10R0.4 CCCCCSCOC(=O)C 62a_100000210326_100000076356 [1,0,0,0,0,0|3,0,0]=4 339 B10R0.4 CCCCNCCCC(=O)C 7a_106832991798_100011215641 [1,0,0,0,0,0|2,0,1]=4 340 B10R0.4 CCCCNCCCC(=O)N 34a_100000739312_100000210210 [1,0,0,0,0,0|2,0,1]=4 341 B10R0.4 CCCCNCCCC(=O)N 7a_106832991798_100102525003 [1,0,0,0,0,0|2,0,1]=4 342 B10R0.4 CCCCOCCCC(=O)C 34a_100000210227_100000685027 [1,0,0,0,0,0|2,0,1]=4 343 B10R0.4 CCCCOCCCC(=O)C 34a_100000759063_100000210210 [1,0,0,0,0,0|2,0,1]=4 344 B10R0.4 CCCCOCCCC(=O)C 7a_100000210227_100011215641 [1,0,0,0,0,0|2,0,1]=4 345 B10R0.4 CCCCOCCCC(=O)C 7a_100000759063_100000210211 [1,0,0,0,0,0|2,0,1]=4 346 B10R0.4 CCCCOCCCC(=O)N 34a_100000210227_100102525003 [1,0,0,0,0,0|2,0,1]=4 347 B10R0.4 CCCCOCCCC(=O)N 7a_100000210227_100102525003 [1,0,0,0,0,0|2,0,1]=4 348 B10R0.4 CCCCOCNCC(=O)O 269956a_100016091260_100011995733 [1,0,0,0,0,0|2,0,1]=4 349 B10R0.4 CCCCSCCCC(=O)C 62a_100000210211_100011215641 [1,0,0,0,0,0|2,0,1]=4 350 B10R0.4 CCCCSCCCC(=O)C 62a_100011215641_100000210210 [1,0,0,0,0,0|2,0,1]=4 351 B10R0.4 CCCCSCCCC(=O)N 62a_100000210211_100102525003 [1,0,0,0,0,0|2,0,1]=4 352 B10R0.4 CCCCSCCCC(=O)N 62a_100102525003_100000210210 [1,0,0,0,0,0|2,0,1]=4 353 B10R0.4 CCCNCCCCC(=O)N 34a_100000696515_100000210303 [1,0,0,0,0,0|2,0,1]=4 354 B10R0.4 CCCNCCOCC(=O)O 269956a_100000700818_100000210207 [1,0,0,0,0,0|2,0,1]=4 355 B10R0.4 CCCOCCCCC(=O)C 34a_100000210258_100009817362 [1,0,0,0,0,0|2,0,1]=4 356 B10R0.4 CCCOCCCCC(=O)N 34a_100012022536_100000210303 [1,0,0,0,0,0|2,0,1]=4 357 B10R0.4 CCCOCCCCC(=O)N 7a_100012022536_100000210303 [1,0,0,0,0,0|2,0,1]=4 358 B10R0.4 CCCOCCNCC(=O)O 269956a_100016091260_100011215938 [1,0,0,0,0,0|2,0,1]=4 359 B10R0.4 CCCSCCCCC(=O)C 62a_100000210303_100000735457 [1,0,0,0,0,0|2,0,1]=4 360 B10R0.4 CCCSCCCCC(=O)C 62a_100000735457_100000210303 [1,0,0,0,0,0|2,0,1]=4 361 B10R0.4 CCNCCCCCC(=O)N 2230a_100015525214_100009817443 [1,0,0,0,0,0|2,0,1]=4 362 B10R0.4 CCOCCCCCC(=O)N 34a_100000123541_100000210202 [1,0,0,0,0,0|2,0,1]=4 363 B10R0.4 CCOCCCCCC(=O)N 34a_100121572206_100009817443 [1,0,0,0,0,0|2,0,1]=4 364 B10R0.4 CCOCCCCCC(=O)N 7a_100000123541_100000210202 [1,0,0,0,0,0|2,0,1]=4 365 B10R0.4 CCOCCCCCC(=O)[O-] 7a_100102619762_100000210202 [1,0,0,0,0,0|1,0,2]=4 366 B10R0.4 CCOCCCNCC(=O)O 269956a_100016091260_100012232248 [1,0,0,0,0,0|2,0,1]=4 367 B10R0.4 CCOCCNCCC(=O)N 2230a_102516460346_100000744528 [1,0,0,0,0,0|3,0,0]=4 368 B10R0.4 CCOCCNCCC(=O)N 34a_102516460346_100000731001 [1,0,0,0,0,0|3,0,0]=4 369 B10R0.4 CCOCCNOCC(=O)O 269956a_100000106656_100000210147 [1,0,0,0,0,0|3,0,0]=4 370 B10R0.4 CCOCCOCCC(=O)C 1458a_100000070787_100011211534 [1,0,0,0,0,0|3,0,0]=4 371 B10R0.4 CCOCCOCCC(=O)C 34a_100000759926_100000210147 [1,0,0,0,0,0|3,0,0]=4 372 B10R0.4 CCOCCOCCC(=O)C 7a_100000210136_100000053229 [1,0,0,0,0,0|3,0,0]=4 373 B10R0.4 CCOCCOCCC(=O)C 7a_100000759926_100011215890 [1,0,0,0,0,0|3,0,0]=4 374 B10R0.4 CCOCCOCCC(=O)N 34a_100000210136_100000731001 [1,0,0,0,0,0|3,0,0]=4 375 B10R0.4 CCOCCOCCC(=O)N 34a_100000757172_100000210147 [1,0,0,0,0,0|3,0,0]=4 376 B10R0.4 CCOCCOCCC(=O)N 7a_100000210136_100000744528 [1,0,0,0,0,0|3,0,0]=4 377 B10R0.4 CCOCCOCCC(=O)N 7a_100000757172_100011215890 [1,0,0,0,0,0|3,0,0]=4 378 B10R0.4 CCOCCSCCC(=O)C 62a_100000053229_100011215890 [1,0,0,0,0,0|3,0,0]=4 379 B10R0.4 CCOCCSCCC(=O)C 62a_100000210147_100000053229 [1,0,0,0,0,0|3,0,0]=4 380 B10R0.4 CCOCCSCCC(=O)N 62a_100000210147_100000744528 [1,0,0,0,0,0|3,0,0]=4 381 B10R0.4 CCOCCSCCC(=O)N 62a_100000744528_100011215890 [1,0,0,0,0,0|3,0,0]=4 382 B10R0.4 CCSCCCCCC(=O)N 62a_100000210202_100009817443 [1,0,0,0,0,0|2,0,1]=4 383 B10R0.4 CCSCCCCCC(=O)N 62a_100009817443_100000210202 [1,0,0,0,0,0|2,0,1]=4 384 B10R0.4 CCSCCNCCC(=O)N 2230a_100000106463_100000744528 [1,0,0,0,0,0|3,0,0]=4 385 B10R0.4 CCSCCNOCC(=O)O 269956a_100000106656_100000757381 [1,0,0,0,0,0|3,0,0]=4 386 B10R0.4 CCSCCOCCC(=O)C 34a_100000759926_100000757381 [1,0,0,0,0,0|3,0,0]=4 387 B10R0.4 CCSCCOCCC(=O)C 7a_100000212035_100000053229 [1,0,0,0,0,0|3,0,0]=4 388 B10R0.4 CCSCCOCCC(=O)C 7a_100000759926_100000757381 [1,0,0,0,0,0|3,0,0]=4 389 B10R0.4 CCSCCOCCC(=O)N 34a_100000212035_100000731001 [1,0,0,0,0,0|3,0,0]=4 390 B10R0.4 CCSCCOCCC(=O)N 34a_100000757172_100000757381 [1,0,0,0,0,0|3,0,0]=4 391 B10R0.4 CCSCCOCCC(=O)N 7a_100000212035_100000744528 [1,0,0,0,0,0|3,0,0]=4 392 B10R0.4 CCSCCOCCC(=O)N 7a_100000757172_100000757381 [1,0,0,0,0,0|3,0,0]=4 393 B10R0.4 CCSCCSCCC(=O)C 62a_100000053229_100000757381 [1,0,0,0,0,0|3,0,0]=4 394 B10R0.4 CCSCCSCCC(=O)C 62a_100000757381_100000053229 [1,0,0,0,0,0|3,0,0]=4 395 B10R0.4 CCSCCSCCC(=O)N 62a_100000744528_100000757381 [1,0,0,0,0,0|3,0,0]=4 396 B10R0.4 CCSCCSCCC(=O)N 62a_100000757381_100000744528 [1,0,0,0,0,0|3,0,0]=4 397 B10R0.4 CNCCCOCCC(=O)N 34a_100000213112_100000731001 [1,0,0,0,0,0|3,0,0]=4 398 B10R0.4 COCCCCCCC(=O)C 1458a_100000070787_100011998445 [1,0,0,0,0,0|2,0,1]=4 399 B10R0.4 COCCCCNCC(=O)O 269956a_100016091260_100000730899 [1,0,0,0,0,0|2,0,1]=4 400 B10R0.4 COCCCNCCC(=O)N 34a_100150723488_100000731001 [1,0,0,0,0,0|3,0,0]=4 401 B10R0.4 COCCCNOCC(=O)O 269956a_100000106656_100000740836 [1,0,0,0,0,0|3,0,0]=4 402 B10R0.4 COCCCOCCC(=O)C 34a_100000759926_100000740836 [1,0,0,0,0,0|3,0,0]=4 403 B10R0.4 COCCCOCCC(=O)C 7a_100000759926_100000740836 [1,0,0,0,0,0|3,0,0]=4 404 B10R0.4 COCCCOCCC(=O)N 34a_100000740835_100000731001 [1,0,0,0,0,0|3,0,0]=4 405 B10R0.4 COCCCOCCC(=O)N 34a_100000757172_100000740836 [1,0,0,0,0,0|3,0,0]=4 406 B10R0.4 COCCCOCCC(=O)N 7a_100000757172_100000740836 [1,0,0,0,0,0|3,0,0]=4 407 B10R0.4 COCCCSCCC(=O)C 62a_100000053229_100000709357 [1,0,0,0,0,0|3,0,0]=4 408 B10R0.4 COCCCSCCC(=O)C 62a_100000709357_100000053229 [1,0,0,0,0,0|3,0,0]=4 409 B10R0.4 COCCCSCCC(=O)N 62a_100000709357_100000744528 [1,0,0,0,0,0|3,0,0]=4 410 B10R0.4 COCCCSCCC(=O)N 62a_100000744528_100000709357 [1,0,0,0,0,0|3,0,0]=4 411 B10R0.4 CSCCCNCCC(=O)N 2230a_100000749238_100000744528 [1,0,0,0,0,0|3,0,0]=4 412 B10R0.4 CSCCCOCCC(=O)C 7a_100000690336_100000053229 [1,0,0,0,0,0|3,0,0]=4 413 B10R0.4 CSCCCOCCC(=O)N 34a_100000690336_100000731001 [1,0,0,0,0,0|3,0,0]=4 414 B10R0.4 CSCCCOCCC(=O)N 7a_100000690336_100000744528 [1,0,0,0,0,0|3,0,0]=4 415 B10R0.4 NC(=O)CCNCCCCO 2230a_100000750430_100000744528 [1,0,0,0,0,0|3,0,0]=4 416 B10R0.4 NC(=O)CCNCCCCO 34a_100000750430_100000731001 [1,0,0,0,0,0|3,0,0]=4 417 B10R0.4 NC(=O)CCOCCCCBr 34a_100011216708_100000731001 [1,0,0,0,0,0|3,0,0]=4 418 B10R0.4 NC(=O)CCOCCCCCl 34a_100000210776_100000731001 [1,0,0,0,0,0|3,0,0]=4 419 B10R0.4 NC(=O)CCOCCCCCl 7a_100000210776_100000744528 [1,0,0,0,0,0|3,0,0]=4 420 B10R0.4 NC(=O)CCOCCCCF 34a_100000757172_100000729493 [1,0,0,0,0,0|3,0,0]=4 421 B10R0.4 NC(=O)CCOCCCCF 34a_100011995726_100000731001 [1,0,0,0,0,0|3,0,0]=4 422 B10R0.4 NC(=O)CCOCCCCF 7a_100000757172_100000729493 [1,0,0,0,0,0|3,0,0]=4 423 B10R0.4 NC(=O)CCOCCCCF 7a_100011995726_100000744528 [1,0,0,0,0,0|3,0,0]=4 424 B10R0.4 NC(=O)CCOCCCCI 34a_200012148704_100000731001 [1,0,0,0,0,0|3,0,0]=4 425 B10R0.4 NC(=O)CCOCCCCO 34a_100000757172_100011216708 [1,0,0,0,0,0|3,0,0]=4 426 B10R0.4 NC(=O)CCOCCCCO 7a_100000757172_100000210776 [1,0,0,0,0,0|3,0,0]=4 427 B10R0.4 NC(=O)CCSCCCCF 62a_100000729493_100000744528 [1,0,0,0,0,0|3,0,0]=4 428 B10R0.4 NC(=O)CCSCCCCF 62a_100000744528_100000729493 [1,0,0,0,0,0|3,0,0]=4 429 B10R0.4 NC(=O)CCSCCCCO 62a_100000210776_100000744528 [1,0,0,0,0,0|3,0,0]=4 430 B10R0.4 NC(=O)CCSCCCCO 62a_100000744528_100000210776 [1,0,0,0,0,0|3,0,0]=4 431 B10R0.4 NCCCCOCCC(=O)N 34a_100000750430_100000731001 [1,0,0,0,0,0|3,0,0]=4 432 B10R0.4 O=C(O)CNCCCCCF 269956a_100016091260_100000729378 [1,0,0,0,0,0|2,0,1]=4 433 B10R0.4 O=C(O)CNCCCCCO 269956a_100016091260_100000746330 [1,0,0,0,0,0|2,0,1]=4 434 B10R0.4 O=C(O)CONCCCCF 269956a_100000106656_100000729493 [1,0,0,0,0,0|3,0,0]=4 435 B10R0.4 O=C(O)CONCCCCO 269956a_100000106656_100000210776 [1,0,0,0,0,0|3,0,0]=4 436 B10R0.4 [13CH3]C(=O)CCCCCCCO 1458a_100011219782_200025704644 [1,0,0,0,0,0|2,0,1]=4 437 B10R0.71 C=CCCC=NNCCCC 4a_100025702795_100011216789 [1,0,0,0,0,0|3,0,0]=4 438 B10R0.71 C=CCCCNCCCCC 2230a_100000209983_100011713584 [1,0,0,0,0,0|2,0,1]=4 439 B10R0.71 C=CCCCNCCCCC 2230a_100000700776_100000210326 [1,0,0,0,0,0|2,0,1]=4 440 B10R0.71 C=CCCCNCCCCC 34a_100000700776_100000718602 [1,0,0,0,0,0|2,0,1]=4 441 B10R0.71 C=CCCCOCCCCC 34a_100000210253_100000757094 [1,0,0,0,0,0|2,0,1]=4 442 B10R0.71 C=CCCCOCCCCC 34a_100000758997_100000718602 [1,0,0,0,0,0|2,0,1]=4 443 B10R0.71 C=CCCCOCCCCC 7a_100000210253_100000757094 [1,0,0,0,0,0|2,0,1]=4 444 B10R0.71 C=CCCCOCCCCC 7a_100000758997_100000210326 [1,0,0,0,0,0|2,0,1]=4 445 B10R0.71 C=CCCCSCCCCC 62a_100000210326_100000757094 [1,0,0,0,0,0|2,0,1]=4 446 B10R0.71 C=CCCCSCCCCC 62a_100011713584_100000210326 [1,0,0,0,0,0|2,0,1]=4 447 B10R0.71 C=CCCNCCCCCC 2230a_100000210581_100000754431 [1,0,0,0,0,0|2,0,1]=4 448 B10R0.71 C=CCCNCCCCCC 2230a_100015191253_100000210314 [1,0,0,0,0,0|2,0,1]=4 449 B10R0.71 C=CCCOCCCCCC 34a_100000210259_100000754431 [1,0,0,0,0,0|2,0,1]=4 450 B10R0.71 C=CCCOCCCCCC 34a_100011205117_100000210314 [1,0,0,0,0,0|2,0,1]=4 451 B10R0.71 C=CCCOCCCCCC 7a_100000210259_100000754431 [1,0,0,0,0,0|2,0,1]=4 452 B10R0.71 C=CCCSCCCCCC 62a_100000210314_100000754431 [1,0,0,0,0,0|2,0,1]=4 453 B10R0.71 C=CCCSCCCCCC 62a_100000754431_100000210757 [1,0,0,0,0,0|2,0,1]=4 454 B10R0.71 CCCC/C=C/COCC=O 34a_200016272032_200009817547 [1,0,0,0,0,0|1,0,2]=4 455 B10R0.71 CCCC/C=C/COCC=O 7a_200016272032_200015260668 [1,0,0,0,0,0|1,0,2]=4 456 B10R0.71 CCCC/C=C/COCCC 34a_200016272032_100000210303 [1,0,0,0,0,0|2,0,1]=4 457 B10R0.71 CCCC/C=C/COCCC 7a_200016272032_100000210303 [1,0,0,0,0,0|2,0,1]=4 458 B10R0.71 CCCC/C=C\CCOCC 34a_200016286491_100000210202 [1,0,0,0,0,0|2,0,1]=4 459 B10R0.71 CCCC/C=C\CCOCC 7a_200016286491_100000210202 [1,0,0,0,0,0|2,0,1]=4 460 B10R0.71 CCCCC/C=C/COCC 34a_100016258190_100000210202 [1,0,0,0,0,0|2,0,1]=4 461 B10R0.71 CCCCC/C=C/COCC 7a_100016258190_100000210202 [1,0,0,0,0,0|2,0,1]=4 462 B10R0.71 CCCCC/C=C/COCF 34a_100016258190_100015361967 [1,0,0,0,0,0|2,0,1]=4 463 B10R0.71 CCCCC/C=C/COCF 7a_100016258190_100015361967 [1,0,0,0,0,0|2,0,1]=4 464 B10R0.71 CCCCC/C=C\CCOC 34a_100016277358_200000210301 [1,0,0,0,0,0|2,0,0]=3 465 B10R0.71 CCCCC/C=C\CCOC 7a_100016277358_200000210301 [1,0,0,0,0,0|2,0,0]=3 466 B10R0.71 CCCCC/C=C\CCO[13CH3] 34a_100016277358_200025704644 [1,0,0,0,0,0|2,0,0]=3 467 B10R0.71 CCCCC/C=C\CCO[13CH3] 7a_100016277358_200025704644 [1,0,0,0,0,0|2,0,0]=3 468 B10R0.71 CCCCCC=NNCCO 4a_100000210001_100000737632 [1,0,0,0,0,0|2,0,1]=4 469 B10R0.71 CCCCCCCNCC=O 2230a_100000229938_200015260668 [1,0,0,0,0,0|1,0,2]=4 470 B10R0.71 CCCCCCCOCC=O 34a_100000210272_200009817547 [1,0,0,0,0,0|1,0,2]=4 471 B10R0.71 CCCCCCCOCC=O 7a_100000210272_200015260668 [1,0,0,0,0,0|1,0,2]=4 472 B10R0.71 CCCCCCCSCC=O 62a_100000210614_200015260668 [1,0,0,0,0,0|1,0,2]=4 473 B10R0.71 CCCCCCCSCC=O 62a_200015260668_100000210316 [1,0,0,0,0,0|1,0,2]=4 474 B10R0.71 CCCCCCNCCCO 2230a_100000210581_100000230001 [1,0,0,0,0,0|1,0,2]=4 475 B10R0.71 CCCCCCOCCCO 34a_100000210259_100000230001 [1,0,0,0,0,0|1,0,2]=4 476 B10R0.71 CCCCCCOCCCO 7a_100000210259_100011215043 [1,0,0,0,0,0|1,0,2]=4 477 B10R0.71 CCCCCCSCCCO 62a_100000210314_100011215043 [1,0,0,0,0,0|1,0,2]=4 478 B10R0.71 CCCCCCSCCCO 62a_100011215043_100000210757 [1,0,0,0,0,0|1,0,2]=4 479 B10R0.71 CCCCCNCCCC=O 2230a_100000209983_200011292268 [1,0,0,0,0,0|1,0,1]=3 480 B10R0.71 CCCCCNCCCCO 2230a_100000209983_100000210776 [1,0,0,0,0,0|1,0,2]=4 481 B10R0.71 CCCCCNCCCCO 2230a_100000750430_100000210326 [1,0,0,0,0,0|1,0,2]=4 482 B10R0.71 CCCCCNCCCCO 34a_100000750430_100000718602 [1,0,0,0,0,0|1,0,2]=4 483 B10R0.71 CCCCCOCCCC=O 7a_100000210253_200011292268 [1,0,0,0,0,0|1,0,1]=3 484 B10R0.71 CCCCCOCCCCO 34a_100000210253_100011216708 [1,0,0,0,0,0|1,0,2]=4 485 B10R0.71 CCCCCOCCCCO 7a_100000210253_100000210776 [1,0,0,0,0,0|1,0,2]=4 486 B10R0.71 CCCCCSCCCC=O 62a_100000210326_200011292268 [1,0,0,0,0,0|1,0,1]=3 487 B10R0.71 CCCCCSCCCC=O 62a_200011292268_100000210326 [1,0,0,0,0,0|1,0,1]=3 488 B10R0.71 CCCCCSCCCCO 62a_100000210326_100000210776 [1,0,0,0,0,0|1,0,2]=4 489 B10R0.71 CCCCCSCCCCO 62a_100000210776_100000210326 [1,0,0,0,0,0|1,0,2]=4 490 B10R0.71 CCCCNCCCCC=O 2230a_100000102301_100000139335 [1,0,0,0,0,0|1,0,2]=4 491 B10R0.71 CCCCNCCCCC=O 7a_106832991798_100000139335 [1,0,0,0,0,0|1,0,2]=4 492 B10R0.71 CCCCOCCCCC=O 7a_100000210227_100000139335 [1,0,0,0,0,0|1,0,2]=4 493 B10R0.71 CCCCSCCCCC=O 62a_100000139335_100000210210 [1,0,0,0,0,0|1,0,2]=4 494 B10R0.71 CCCCSCCCCC=O 62a_100000210211_100000139335 [1,0,0,0,0,0|1,0,2]=4 495 B10R0.71 CCCSCCCCCC=O 62a_100000139337_100000210303 [1,0,0,0,0,0|1,0,2]=4 496 B10R0.71 CCCSCCCCCC=O 62a_100000210303_100000139337 [1,0,0,0,0,0|1,0,2]=4 497 B10R0.71 CCOCCNCCCC=O 2230a_102516460346_200011292268 [1,0,0,0,0,0|2,0,1]=4 498 B10R0.71 CCOCCOCCCC=O 7a_100000210136_200011292268 [1,0,0,0,0,0|2,0,1]=4 499 B10R0.71 CCOCCSCCCC=O 62a_100000210147_200011292268 [1,0,0,0,0,0|2,0,1]=4 500 B10R0.71 CCOCCSCCCC=O 62a_200011292268_100011215890 [1,0,0,0,0,0|2,0,1]=4 501 B10R0.71 CCSCCNCCCC=O 2230a_100000106463_200011292268 [1,0,0,0,0,0|2,0,1]=4 502 B10R0.71 CCSCCOCCCC=O 7a_100000212035_200011292268 [1,0,0,0,0,0|2,0,1]=4 503 B10R0.71 CCSCCSCCCC=O 62a_100000757381_200011292268 [1,0,0,0,0,0|2,0,1]=4 504 B10R0.71 CCSCCSCCCC=O 62a_200011292268_100000757381 [1,0,0,0,0,0|2,0,1]=4 505 B10R0.71 COCCCSCCCC=O 62a_100000709357_200011292268 [1,0,0,0,0,0|2,0,1]=4 506 B10R0.71 COCCCSCCCC=O 62a_200011292268_100000709357 [1,0,0,0,0,0|2,0,1]=4 507 B10R0.71 CSCCCNCCCC=O 2230a_100000749238_200011292268 [1,0,0,0,0,0|2,0,1]=4 508 B10R0.71 CSCCCOCCCC=O 7a_100000690336_200011292268 [1,0,0,0,0,0|2,0,1]=4 509 B10R0.71 O=CCCCNCCCCO 2230a_100000750430_200011292268 [1,0,0,0,0,0|2,0,1]=4 510 B10R0.71 O=CCCCOCCCCCl 7a_100000210776_200011292268 [1,0,0,0,0,0|2,0,1]=4 511 B10R0.71 O=CCCCOCCCCF 7a_100011995726_200011292268 [1,0,0,0,0,0|2,0,1]=4 512 B10R0.71 O=CCCCSCCCCF 62a_100000729493_200011292268 [1,0,0,0,0,0|2,0,1]=4 513 B10R0.71 O=CCCCSCCCCF 62a_200011292268_100000729493 [1,0,0,0,0,0|2,0,1]=4 514 B10R0.71 O=CCCCSCCCCO 62a_100000210776_200011292268 [1,0,0,0,0,0|2,0,1]=4 515 B10R0.71 O=CCCCSCCCCO 62a_200011292268_100000210776 [1,0,0,0,0,0|2,0,1]=4 516 B12R0.4 C=C(C)CC(=O)C=CCCCCC 1458a_100016263427_100000748629 [0,1,0,0,0,0|2,0,1]=4 517 B12R0.4 C=C(F)CC(=O)C=CCCCCC 1458a_100016263427_100009893438 [0,1,0,0,0,0|2,0,1]=4 518 B12R0.4 CCCCCC=CC(=O)CC(=O)N 1458a_100016263427_100000187820 [0,1,0,0,0,0|1,0,1]=3 519 B12R0.4 CCCCCC=CC(=O)CC(=O)[O-] 1458a_100016263427_100020667443 [0,1,0,0,0,0|0,0,2]=3 520 B12R0.4 CCCCCC=CC(=O)CC(C)O 1458a_100016263427_100011218427 [0,1,0,0,0,0|1,0,2]=4 521 B12R0.4 CCCCCC=CC(=O)C[N+](=O)[O-] 1458a_100016263427_100000761209 [0,1,0,0,0,0|1,0,2]=4 522 B12R0.4 CCCCCCCC(O)CC(=O)C 1458a_200011667753_200000210301 [0,1,0,0,0,0|1,0,2]=4 523 B12R0.4 CCCCCCCC(O)CC(=O)[13CH3] 1458a_200011667753_200025704644 [0,1,0,0,0,0|1,0,2]=4 524 B12R0.4 CCCCCCCN(C)CC(=O)O 269956a_100000746989_100000210614 [0,1,0,0,0,0|1,0,2]=4 525 B12R0.4 CCCCCNCC(O)CC(=O)O 269956a_100011218706_100000210326 [0,1,0,0,0,0|1,0,1]=3 526 B12R0.4 CCOCCNCC(O)CC(=O)O 269956a_100011218706_100000210147 [0,1,0,0,0,0|2,0,1]=4 527 B12R0.4 CCSCCNCC(O)CC(=O)O 269956a_100011218706_100000757381 [0,1,0,0,0,0|2,0,1]=4 528 B12R0.4 COCCCNCC(O)CC(=O)O 269956a_100011218706_100000740836 [0,1,0,0,0,0|2,0,1]=4 529 B12R0.4 O=C(O)CC(O)CNCCCCF 269956a_100011218706_100000729493 [0,1,0,0,0,0|2,0,1]=4 530 B12R0.4 O=C(O)CC(O)CNCCCCO 269956a_100011218706_100000210776 [0,1,0,0,0,0|2,0,1]=4 531 B12R0.95 CCCCC(C)COCCC(=O)C 7a_100011995851_100000053229 [0,1,0,0,0,0|2,0,1]=4 532 B12R0.95 CCCCC(C)COCCC(=O)N 34a_100011995851_100000731001 [0,1,0,0,0,0|2,0,1]=4 533 B12R0.95 CCCCC(C)COCCC(=O)N 7a_100011995851_100000744528 [0,1,0,0,0,0|2,0,1]=4 534 B12R0.95 CCCCC(C)NCCCC(=O)N 34a_100000739312_200011215066 [0,1,0,0,0,0|2,0,1]=4 535 B12R0.95 CCCCC(C)OCCCC(=O)C 34a_100000687866_100000685027 [0,1,0,0,0,0|2,0,1]=4 536 B12R0.95 CCCCC(C)OCCCC(=O)C 34a_100000759063_200011215066 [0,1,0,0,0,0|2,0,1]=4 537 B12R0.95 CCCCC(C)OCCCC(=O)C 7a_100000687866_100011215641 [0,1,0,0,0,0|2,0,1]=4 538 B12R0.95 CCCCC(C)OCCCC(=O)C 7a_100000759063_200011215066 [0,1,0,0,0,0|2,0,1]=4 539 B12R0.95 CCCCC(C)OCCCC(=O)N 34a_100000687866_100102525003 [0,1,0,0,0,0|2,0,1]=4 540 B12R0.95 CCCCC(C)OCCCC(=O)N 7a_100000687866_100102525003 [0,1,0,0,0,0|2,0,1]=4 541 B12R0.95 CCCCC(C)SCCCC(=O)C 62a_100011215641_200011215066 [0,1,0,0,0,0|2,0,1]=4 542 B12R0.95 CCCCC(C)SCCCC(=O)C 62a_200011215066_100011215641 [0,1,0,0,0,0|2,0,1]=4 543 B12R0.95 CCCCC(C)SCCCC(=O)N 62a_100102525003_200011215066 [0,1,0,0,0,0|2,0,1]=4 544 B12R0.95 CCCCC(C)SCCCC(=O)N 62a_200011215066_100102525003 [0,1,0,0,0,0|2,0,1]=4 545 B12R0.95 CCCC[C@H](N)COCCC(=O)N 34a_100011934283_100000731001 [0,1,0,0,0,0|2,0,1]=4 546 B12R0.184 CCC(C)CCCOCCC(=O)C 7a_100011216074_100000053229 [0,1,0,0,0,0|2,0,1]=4 547 B12R0.184 CCC(C)CCCOCCC(=O)N 7a_100011216074_100000744528 [0,1,0,0,0,0|2,0,1]=4 548 B12R0.184 CCC(C)CCOCCCC(=O)C 7a_100011215188_100011215641 [0,1,0,0,0,0|2,0,1]=4 549 B12R0.184 CCC(C)CCOCCCC(=O)N 7a_100011215188_100102525003 [0,1,0,0,0,0|2,0,1]=4 550 B12R0.233 CC(=O)CCCC(=O)CCCCO 1458a_100000695505_100011215641 [0,1,0,0,0,0|2,0,1]=4 551 B12R0.233 CCCCCC(=O)CCCC(=O)C 1458a_100000212188_100011215641 [0,1,0,0,0,0|1,0,1]=3 552 B12R0.233 CCCCCC(=O)CCCC(=O)N 1458a_100000212188_100102525003 [0,1,0,0,0,0|1,0,1]=3 553 B12R0.233 CCCCCC(=O)CCCC(C)O 1458a_100000212188_200000718107 [0,1,0,0,0,0|1,0,2]=4 554 B12R0.233 CCCCCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000210326 [0,1,0,0,0,0|1,0,2]=4 555 B12R0.233 CCCCCC(=O)CCNC(=O)C 1458a_100000183196_100000210326 [0,1,0,0,0,0|2,0,1]=4 556 B12R0.233 CCCCCC(=O)CCNC(=O)C 1458a_100000212188_100000189650 [0,1,0,0,0,0|2,0,1]=4 557 B12R0.233 CCCCCC(=O)CCNC(=O)N 1458a_100000181464_100000210326 [0,1,0,0,0,0|2,0,1]=4 558 B12R0.233 CCCCCC(=O)CCNC(=O)N 1458a_100000212188_200000034859 [0,1,0,0,0,0|2,0,1]=4 559 B12R0.233 CCCCCC(=O)CCOC(=O)C 1458a_100000212188_100009814007 [0,1,0,0,0,0|2,0,1]=4 560 B12R0.233 CCCCCC(=O)CCOC(=O)N 1458a_100000212188_200011214921 [0,1,0,0,0,0|2,0,1]=4 561 B12R0.233 CCCCCC(=O)CCSC(=O)C 1458a_100000048949_100000210326 [0,1,0,0,0,0|2,0,1]=4 562 B12R0.233 CCCCCC(=O)CNCC(=O)N 2230a_100000711301_200012276598 [0,1,0,0,0,0|2,0,1]=4 563 B12R0.233 CCCCCC(=O)CNCC(=O)O 269956a_100016091260_200012276598 [0,1,0,0,0,0|1,0,1]=3 564 B12R0.233 CCCCCC(=O)COCC(=O)C 34a_100000211253_200012276598 [0,1,0,0,0,0|2,0,1]=4 565 B12R0.233 CCCCCC(=O)COCC(=O)N 1458a_100011219004_100000210326 [0,1,0,0,0,0|2,0,1]=4 566 B12R0.233 CCCCCC(=O)CSCC(=O)N 62a_100000747473_200012276598 [0,1,0,0,0,0|2,0,1]=4 567 B12R0.233 CCCCCC(=O)CSCC(=O)N 62a_200012276598_100000747473 [0,1,0,0,0,0|2,0,1]=4 568 B12R0.233 CCCCCC(=O)CSCC(=O)[O-] 62a_100020667443_200012276598 [0,1,0,0,0,0|1,0,2]=4 569 B12R0.233 CCCCCC(=O)CSCC(=O)[O-] 62a_200012276598_100020667443 [0,1,0,0,0,0|1,0,2]=4 570 B12R0.233 CCCCCC(=O)NCCC(=O)N 11a_100000740010_100000212188 [0,1,0,0,0,0|2,0,0]=3 571 B12R0.233 CCCCCC(=O)NCCC(=O)N 240690a_100000740010_100000212188 [0,1,0,0,0,0|2,0,0]=3 572 B12R0.233 CCCCCC(=O)NCCC(=O)N 527a_100000740010_100000212188 [0,1,0,0,0,0|2,0,0]=3 573 B12R0.233 CCCCCC(=O)NCCC(C)O 240690a_200000755665_100000212188 [0,1,0,0,0,0|2,0,1]=4 574 B12R0.233 CCCCCC(=O)NCCC(C)O 527a_200000755665_100000212188 [0,1,0,0,0,0|2,0,1]=4 575 B12R0.233 CCCCCC(C)NCCC(=O)N 2230a_100000211957_100000744528 [0,1,0,0,0,0|2,0,1]=4 576 B12R0.233 CCCCCC(C)NOCC(=O)O 269956a_100000106656_200011218191 [0,1,0,0,0,0|2,0,1]=4 577 B12R0.233 CCCCCC(C)OCCC(=O)C 34a_100000759926_200011218191 [0,1,0,0,0,0|2,0,1]=4 578 B12R0.233 CCCCCC(C)OCCC(=O)C 7a_100000759926_200011218191 [0,1,0,0,0,0|2,0,1]=4 579 B12R0.233 CCCCCC(C)OCCC(=O)C 7a_100011215632_100000053229 [0,1,0,0,0,0|2,0,1]=4 580 B12R0.233 CCCCCC(C)OCCC(=O)N 34a_100000757172_200011218191 [0,1,0,0,0,0|2,0,1]=4 581 B12R0.233 CCCCCC(C)OCCC(=O)N 34a_100011215632_100000731001 [0,1,0,0,0,0|2,0,1]=4 582 B12R0.233 CCCCCC(C)OCCC(=O)N 7a_100000757172_200011218191 [0,1,0,0,0,0|2,0,1]=4 583 B12R0.233 CCCCCC(C)OCCC(=O)N 7a_100011215632_100000744528 [0,1,0,0,0,0|2,0,1]=4 584 B12R0.233 CCCCCC(C)SCCC(=O)C 62a_100000053229_200011218191 [0,1,0,0,0,0|2,0,1]=4 585 B12R0.233 CCCCCC(C)SCCC(=O)C 62a_200011218191_100000053229 [0,1,0,0,0,0|2,0,1]=4 586 B12R0.233 CCCCCC(C)SCCC(=O)N 62a_100000744528_200011218191 [0,1,0,0,0,0|2,0,1]=4 587 B12R0.233 CCCCCC(C)SCCC(=O)N 62a_200011218191_100000744528 [0,1,0,0,0,0|2,0,1]=4 588 B12R0.233 CCCCCN(C)CCCC(=O)C 269982a_100000223495_100011215641 [0,1,0,0,0,0|2,0,1]=4 589 B12R0.233 CCCCCN(C)CCCC(=O)N 269982a_100000223495_100102525003 [0,1,0,0,0,0|2,0,1]=4 590 B12R0.233 CCCCCN(C)CCCC(=O)O 269956a_100000719178_100000210326 [0,1,0,0,0,0|1,0,1]=3 591 B12R0.233 CCCCNC(=O)CNCC(=O)O 269956a_100016091260_100000182744 [0,1,0,0,0,0|2,0,1]=4 592 B12R0.233 CCCCNC(=O)NCCC(=O)N 2708a_100000102301_100000740010 [0,1,0,0,0,0|3,0,0]=4 593 B12R0.233 CCCCNC(=O)NCCC(=O)N 273464a_100000102301_100000740010 [0,1,0,0,0,0|3,0,0]=4 594 B12R0.233 CCCCNC(=O)NCCC(=O)N 273464a_100000740010_100000102301 [0,1,0,0,0,0|3,0,0]=4 595 B12R0.233 CCCCNC(=O)NCCC(=O)N 512a_100000102301_100000740010 [0,1,0,0,0,0|3,0,0]=4 596 B12R0.233 CCCCOC(=O)CNCC(=O)O 269956a_100016091260_100000211628 [0,1,0,0,0,0|2,0,1]=4 597 B12R0.233 CCCNCC(=O)NCCC(=O)N 2230a_200138414118_100000210303 [0,1,0,0,0,0|3,0,0]=4 598 B12R0.233 CCCOCC(=O)CCCC(=O)C 1458a_100000745993_100011215641 [0,1,0,0,0,0|2,0,1]=4 599 B12R0.233 CCCOCC(=O)CCCC(=O)N 1458a_100000745993_100102525003 [0,1,0,0,0,0|2,0,1]=4 600 B12R0.233 CCCOCC(=O)NCCC(=O)N 11a_100000740010_100000745993 [0,1,0,0,0,0|3,0,0]=4 601 B12R0.233 CCCOCC(=O)NCCC(=O)N 240690a_100000740010_100000745993 [0,1,0,0,0,0|3,0,0]=4 602 B12R0.233 CCCOCC(=O)NCCC(=O)N 527a_100000740010_100000745993 [0,1,0,0,0,0|3,0,0]=4 603 B12R0.233 CCCSCC(=O)CCCC(=O)C 1458a_100000217233_100011215641 [0,1,0,0,0,0|2,0,1]=4 604 B12R0.233 CCCSCC(=O)CCCC(=O)N 1458a_100000217233_100102525003 [0,1,0,0,0,0|2,0,1]=4 605 B12R0.233 CCCSCC(=O)NCCC(=O)N 11a_100000740010_100000217233 [0,1,0,0,0,0|3,0,0]=4 606 B12R0.233 CCCSCC(=O)NCCC(=O)N 240690a_100000740010_100000217233 [0,1,0,0,0,0|3,0,0]=4 607 B12R0.233 CCCSCC(=O)NCCC(=O)N 527a_100000740010_100000217233 [0,1,0,0,0,0|3,0,0]=4 608 B12R0.233 CCOCCC(=O)CCCC(=O)C 1458a_100000749530_100011215641 [0,1,0,0,0,0|2,0,1]=4 609 B12R0.233 CCOCCC(=O)CCCC(=O)N 1458a_100000749530_100102525003 [0,1,0,0,0,0|2,0,1]=4 610 B12R0.233 CCOCCC(=O)NCCC(=O)N 11a_100000740010_100000749530 [0,1,0,0,0,0|3,0,0]=4 611 B12R0.233 CCOCCC(=O)NCCC(=O)N 240690a_100000740010_100000749530 [0,1,0,0,0,0|3,0,0]=4 612 B12R0.233 CCOCCC(=O)NCCC(=O)N 527a_100000740010_100000749530 [0,1,0,0,0,0|3,0,0]=4 613 B12R0.233 CCOCCN(C)CCCC(=O)O 269956a_100000719178_100000210147 [0,1,0,0,0,0|2,0,1]=4 614 B12R0.233 CCSCCC(=O)CCCC(=O)C 1458a_100000230768_100011215641 [0,1,0,0,0,0|2,0,1]=4 615 B12R0.233 CCSCCC(=O)CCCC(=O)N 1458a_100000230768_100102525003 [0,1,0,0,0,0|2,0,1]=4 616 B12R0.233 CCSCCC(=O)NCCC(=O)N 11a_100000740010_100000230768 [0,1,0,0,0,0|3,0,0]=4 617 B12R0.233 CCSCCC(=O)NCCC(=O)N 240690a_100000740010_100000230768 [0,1,0,0,0,0|3,0,0]=4 618 B12R0.233 CCSCCC(=O)NCCC(=O)N 527a_100000740010_100000230768 [0,1,0,0,0,0|3,0,0]=4 619 B12R0.233 CCSCCN(C)CCCC(=O)O 269956a_100000719178_100000757381 [0,1,0,0,0,0|2,0,1]=4 620 B12R0.233 CN(CCCCF)CCCC(=O)O 269956a_100000719178_100000729493 [0,1,0,0,0,0|2,0,1]=4 621 B12R0.233 CN(CCCCO)CCCC(=O)O 269956a_100000719178_100000210776 [0,1,0,0,0,0|2,0,1]=4 622 B12R0.233 COCCCC(=O)CCCC(=O)C 1458a_100000741012_100011215641 [0,1,0,0,0,0|2,0,1]=4 623 B12R0.233 COCCCC(=O)CCCC(=O)N 1458a_100000741012_100102525003 [0,1,0,0,0,0|2,0,1]=4 624 B12R0.233 COCCCC(=O)NCCC(=O)N 11a_100000740010_100000741012 [0,1,0,0,0,0|3,0,0]=4 625 B12R0.233 COCCCC(=O)NCCC(=O)N 240690a_100000740010_100000741012 [0,1,0,0,0,0|3,0,0]=4 626 B12R0.233 COCCCC(=O)NCCC(=O)N 527a_100000740010_100000741012 [0,1,0,0,0,0|3,0,0]=4 627 B12R0.233 COCCCN(C)CCCC(=O)O 269956a_100000719178_100000740836 [0,1,0,0,0,0|2,0,1]=4 628 B12R0.233 CSCCCC(=O)CCCC(=O)C 1458a_100000173376_100011215641 [0,1,0,0,0,0|2,0,1]=4 629 B12R0.233 CSCCCC(=O)CCCC(=O)N 1458a_100000173376_100102525003 [0,1,0,0,0,0|2,0,1]=4 630 B12R0.233 CSCCCC(=O)NCCC(=O)N 11a_100000740010_100000173376 [0,1,0,0,0,0|3,0,0]=4 631 B12R0.233 CSCCCC(=O)NCCC(=O)N 240690a_100000740010_100000173376 [0,1,0,0,0,0|3,0,0]=4 632 B12R0.233 CSCCCC(=O)NCCC(=O)N 527a_100000740010_100000173376 [0,1,0,0,0,0|3,0,0]=4 633 B12R0.233 NC(=O)CCCC(=O)CCCCO 1458a_100000695505_100102525003 [0,1,0,0,0,0|2,0,1]=4 634 B12R0.234 C=C(C)COC/C=C/CCCCC 34a_100016258190_100000748629 [0,1,0,0,0,0|2,0,0]=3 635 B12R0.234 C=C(C)COC/C=C/CCCCC 7a_100016258190_100000748629 [0,1,0,0,0,0|2,0,0]=3 636 B12R0.234 C=C(F)COC/C=C/CCCCC 34a_100016258190_100009893438 [0,1,0,0,0,0|2,0,0]=3 637 B12R0.234 C=C(F)COC/C=C/CCCCC 7a_100016258190_100000042424 [0,1,0,0,0,0|2,0,0]=3 638 B12R0.234 C=CCCC/C=C/COCC(=O)N 34a_200016268473_100000187820 [0,1,0,0,0,0|1,0,2]=4 639 B12R0.234 C=CCCC/C=C/COCC(=O)N 7a_200016268473_100000187820 [0,1,0,0,0,0|1,0,2]=4 640 B12R0.234 C=CCCC/C=C/COCC(=O)[O-] 34a_200016268473_100020667443 [0,1,0,0,0,0|0,0,3]=4 641 B12R0.234 CC(=O)CCCCCCCCCF 1458a_200009909015_200000210301 [0,1,0,0,0,0|1,0,2]=4 642 B12R0.234 CC(=O)CCCCCCCCCO 1458a_100000070787_100009813782 [0,1,0,0,0,0|1,0,2]=4 643 B12R0.234 CC(=O)CCCNCCCCCO 34a_100000762737_100000685027 [0,1,0,0,0,0|2,0,1]=4 644 B12R0.234 CC(=O)CCCOCCCCCBr 34a_100000746331_100000685027 [0,1,0,0,0,0|2,0,1]=4 645 B12R0.234 CC(=O)CCCOCCCCCBr 7a_100000746331_100011215641 [0,1,0,0,0,0|2,0,1]=4 646 B12R0.234 CC(=O)CCCOCCCCCCl 34a_100000746330_100000685027 [0,1,0,0,0,0|2,0,1]=4 647 B12R0.234 CC(=O)CCCOCCCCCCl 7a_100000746330_100011215641 [0,1,0,0,0,0|2,0,1]=4 648 B12R0.234 CC(=O)CCCOCCCCCF 34a_100000759063_100000729378 [0,1,0,0,0,0|2,0,1]=4 649 B12R0.234 CC(=O)CCCOCCCCCF 7a_100000759063_100000729378 [0,1,0,0,0,0|2,0,1]=4 650 B12R0.234 CC(=O)CCCOCCCCCI 34a_200012148887_100000685027 [0,1,0,0,0,0|2,0,1]=4 651 B12R0.234 CC(=O)CCCOCCCCCI 7a_200012148887_100011215641 [0,1,0,0,0,0|2,0,1]=4 652 B12R0.234 CC(=O)CCCOCCCCCN 34a_100000762737_100000685027 [0,1,0,0,0,0|2,0,1]=4 653 B12R0.234 CC(=O)CCCOCCCCCO 34a_100000759063_100000746330 [0,1,0,0,0,0|2,0,1]=4 654 B12R0.234 CC(=O)CCCOCCCCCO 7a_100000759063_100000746330 [0,1,0,0,0,0|2,0,1]=4 655 B12R0.234 CC(=O)CCCSCCCCCF 62a_100000729378_100011215641 [0,1,0,0,0,0|2,0,1]=4 656 B12R0.234 CC(=O)CCCSCCCCCF 62a_100011215641_100000729378 [0,1,0,0,0,0|2,0,1]=4 657 B12R0.234 CC(=O)CCCSCCCCCO 62a_100000746330_100011215641 [0,1,0,0,0,0|2,0,1]=4 658 B12R0.234 CC(=O)CCCSCCCCCO 62a_100011215641_100000746330 [0,1,0,0,0,0|2,0,1]=4 659 B12R0.234 CC(=O)CCOCCCCCCBr 7a_100011215345_100000053229 [0,1,0,0,0,0|2,0,1]=4 660 B12R0.234 CC(=O)CCOCCCCCCCl 7a_100000766143_100000053229 [0,1,0,0,0,0|2,0,1]=4 661 B12R0.234 CC(=O)CCOCCCCCCF 34a_100000759926_100015922095 [0,1,0,0,0,0|2,0,1]=4 662 B12R0.234 CC(=O)CCOCCCCCCF 7a_100000732779_100000053229 [0,1,0,0,0,0|2,0,1]=4 663 B12R0.234 CC(=O)CCOCCCCCCF 7a_100000759926_100015922095 [0,1,0,0,0,0|2,0,1]=4 664 B12R0.234 CC(=O)CCOCCCCCCO 34a_100000759926_100000766143 [0,1,0,0,0,0|2,0,1]=4 665 B12R0.234 CC(=O)CCOCCCCCCO 7a_100000759926_100000766143 [0,1,0,0,0,0|2,0,1]=4 666 B12R0.234 CC(=O)CCSCCCCCCF 62a_100000053229_100015922095 [0,1,0,0,0,0|2,0,1]=4 667 B12R0.234 CC(=O)CCSCCCCCCF 62a_100015922095_100000053229 [0,1,0,0,0,0|2,0,1]=4 668 B12R0.234 CC(=O)CCSCCCCCCO 62a_100000053229_100000766143 [0,1,0,0,0,0|2,0,1]=4 669 B12R0.234 CC(=O)CCSCCCCCCO 62a_100000766143_100000053229 [0,1,0,0,0,0|2,0,1]=4 670 B12R0.234 CCC/C=C/C=C/COCC(=O)N 34a_100016294078_100000187820 [0,1,0,0,0,0|1,0,2]=4 671 B12R0.234 CCC/C=C/C=C/COCC(=O)[O-] 34a_100016294078_100020667443 [0,1,0,0,0,0|0,0,3]=4 672 B12R0.234 CCCC/C=C/COCCC(=O)C 7a_200016272032_100000053229 [0,1,0,0,0,0|1,0,2]=4 673 B12R0.234 CCCC/C=C/COCCC(=O)N 34a_200016272032_100000731001 [0,1,0,0,0,0|1,0,2]=4 674 B12R0.234 CCCC/C=C/COCCC(=O)N 7a_200016272032_100000744528 [0,1,0,0,0,0|1,0,2]=4 675 B12R0.234 CCCC/C=C\CCOCC(=O)N 34a_200016286491_100000187820 [0,1,0,0,0,0|1,0,2]=4 676 B12R0.234 CCCC/C=C\CCOCC(=O)N 7a_200016286491_100000187820 [0,1,0,0,0,0|1,0,2]=4 677 B12R0.234 CCCC/C=C\CCOCC(=O)[O-] 34a_200016286491_100020667443 [0,1,0,0,0,0|0,0,3]=4 678 B12R0.234 CCCCC/C=C/COCC(=O)N 34a_100016258190_100000187820 [0,1,0,0,0,0|1,0,0]=2 679 B12R0.234 CCCCC/C=C/COCC(=O)N 7a_100016258190_100000187820 [0,1,0,0,0,0|1,0,0]=2 680 B12R0.234 CCCCC/C=C/COCC(=O)[O-] 34a_100016258190_100020667443 [0,1,0,0,0,0|0,0,1]=2 681 B12R0.234 CCCCC/C=C/COCC(C)C 34a_100016258190_100000210624 [0,1,0,0,0,0|2,0,1]=4 682 B12R0.234 CCCCC/C=C/COCC(C)C 7a_100016258190_100000210760 [0,1,0,0,0,0|2,0,1]=4 683 B12R0.234 CCCCC/C=C/COCC(C)O 34a_100016258190_100011218427 [0,1,0,0,0,0|1,0,1]=3 684 B12R0.234 CCCCC/C=C/COCC(C)O 7a_100016258190_100011218427 [0,1,0,0,0,0|1,0,1]=3 685 B12R0.234 CCCCC/C=C/COCC(F)F 34a_100016258190_100011934356 [0,1,0,0,0,0|2,0,1]=4 686 B12R0.234 CCCCC/C=C/COCC(F)F 7a_100016258190_100011934356 [0,1,0,0,0,0|2,0,1]=4 687 B12R0.234 CCCCC/C=C/COC[C@@H](C)O 34a_100016258190_100009817552 [0,1,0,0,0,0|1,0,1]=3 688 B12R0.234 CCCCC/C=C/COC[C@@H](C)O 7a_100016258190_100009817552 [0,1,0,0,0,0|1,0,1]=3 689 B12R0.234 CCCCC/C=C/COC[N+](=O)[O-] 34a_100016258190_100000761209 [0,1,0,0,0,0|1,0,1]=3 690 B12R0.234 CCCCC/C=C\CCOC(C)C 34a_100016277358_100000210206 [0,1,0,0,0,0|2,0,1]=4 691 B12R0.234 CCCCC/C=C\CCOC(C)C 7a_100016277358_100000210206 [0,1,0,0,0,0|2,0,1]=4 692 B12R0.234 CCCCCC#CCNCC(=O)N 2230a_100000711301_100009816472 [0,1,0,0,0,0|1,0,2]=4 693 B12R0.234 CCCCCC#CCNCC(=O)O 269956a_100016091260_100009816472 [0,1,0,0,0,0|0,0,2]=3 694 B12R0.234 CCCCCC#CCOCC(=O)C 34a_100000211253_100009816472 [0,1,0,0,0,0|1,0,2]=4 695 B12R0.234 CCCCCC#CCOCC(=O)N 34a_200000033628_100000187820 [0,1,0,0,0,0|1,0,2]=4 696 B12R0.234 CCCCCC#CCOCC(=O)N 7a_200000033628_100000187820 [0,1,0,0,0,0|1,0,2]=4 697 B12R0.234 CCCCCC#CCOCC(=O)[O-] 34a_200000033628_100020667443 [0,1,0,0,0,0|0,0,3]=4 698 B12R0.234 CCCCCC#CCSCC(=O)N 62a_100000747473_100009816472 [0,1,0,0,0,0|1,0,2]=4 699 B12R0.234 CCCCCC#CCSCC(=O)N 62a_100009816472_100000747473 [0,1,0,0,0,0|1,0,2]=4 700 B12R0.234 CCCCCC#CCSCC(=O)[O-] 62a_100009816472_100020667443 [0,1,0,0,0,0|0,0,3]=4 701 B12R0.234 CCCCCC#CCSCC(=O)[O-] 62a_100020667443_100009816472 [0,1,0,0,0,0|0,0,3]=4 702 B12R0.234 CCCCCC=CC=NNC(=O)C 4a_100000189765_100016268540 [0,1,0,0,0,0|2,0,1]=4 703 B12R0.234 CCCCCCCCCCC(=O)C 1458a_100000070787_100000210319 [0,1,0,0,0,0|1,0,2]=4 704 B12R0.234 CCCCCCCCCCC(=O)C 1458a_100000210375_200000210301 [0,1,0,0,0,0|1,0,2]=4 705 B12R0.234 CCCCCCCCCCC(=O)[13CH3] 1458a_100000210375_200025704644 [0,1,0,0,0,0|1,0,2]=4 706 B12R0.234 CCCCCCCCCNC(=O)C 11a_100000212291_100015343762 [0,1,0,0,0,0|1,0,2]=4 707 B12R0.234 CCCCCCCCCNC(=O)C 1626a_100000212291_100015343762 [0,1,0,0,0,0|1,0,2]=4 708 B12R0.234 CCCCCCCCCNC(=O)C 240690a_100000212291_100015343762 [0,1,0,0,0,0|1,0,2]=4 709 B12R0.234 CCCCCCCCCNC(=O)C 527a_100000212291_100103153847 [0,1,0,0,0,0|1,0,2]=4 710 B12R0.234 CCCCCCCCNCC(=O)N 2230a_100000229939_100000747473 [0,1,0,0,0,0|1,0,2]=4 711 B12R0.234 CCCCCCCCNCC(=O)N 2230a_100000711301_100000210759 [0,1,0,0,0,0|1,0,2]=4 712 B12R0.234 CCCCCCCCNCC(=O)N 34a_100000229939_100000187820 [0,1,0,0,0,0|1,0,2]=4 713 B12R0.234 CCCCCCCCNCC(=O)O 269956a_100016091260_100000210759 [0,1,0,0,0,0|0,0,2]=3 714 B12R0.234 CCCCCCCCNCC(=O)[O-] 34a_100000229939_100020667443 [0,1,0,0,0,0|0,0,3]=4 715 B12R0.234 CCCCCCCCOCC(=O)C 1458a_100000759886_200000210301 [0,1,0,0,0,0|1,0,2]=4 716 B12R0.234 CCCCCCCCOCC(=O)C 34a_100000211253_100000210759 [0,1,0,0,0,0|1,0,2]=4 717 B12R0.234 CCCCCCCCOCC(=O)N 34a_100000210232_100000187820 [0,1,0,0,0,0|1,0,2]=4 718 B12R0.234 CCCCCCCCOCC(=O)N 7a_100000210232_100000187820 [0,1,0,0,0,0|1,0,2]=4 719 B12R0.234 CCCCCCCCOCC(=O)[13CH3] 1458a_100000759886_200025704644 [0,1,0,0,0,0|1,0,2]=4 720 B12R0.234 CCCCCCCCOCC(=O)[O-] 34a_100000210232_100020667443 [0,1,0,0,0,0|0,0,3]=4 721 B12R0.234 CCCCCCCCSCC(=O)N 62a_100000210759_100000747473 [0,1,0,0,0,0|1,0,2]=4 722 B12R0.234 CCCCCCCCSCC(=O)N 62a_100000747473_100000210317 [0,1,0,0,0,0|1,0,2]=4 723 B12R0.234 CCCCCCCCSCC(=O)[O-] 62a_100000210759_100020667443 [0,1,0,0,0,0|0,0,3]=4 724 B12R0.234 CCCCCCCCSCC(=O)[O-] 62a_100020667443_100000210317 [0,1,0,0,0,0|0,0,3]=4 725 B12R0.234 CCCCCCCNCCC(=O)N 2230a_100000229938_100000744528 [0,1,0,0,0,0|1,0,2]=4 726 B12R0.234 CCCCCCCNOCC(=O)O 269956a_100000106656_100000210614 [0,1,0,0,0,0|1,0,2]=4 727 B12R0.234 CCCCCCCOCCC(=O)C 34a_100000759926_100000210614 [0,1,0,0,0,0|1,0,2]=4 728 B12R0.234 CCCCCCCOCCC(=O)C 7a_100000210272_100000053229 [0,1,0,0,0,0|1,0,2]=4 729 B12R0.234 CCCCCCCOCCC(=O)C 7a_100000759926_100000210614 [0,1,0,0,0,0|1,0,2]=4 730 B12R0.234 CCCCCCCOCCC(=O)N 34a_100000210272_100000731001 [0,1,0,0,0,0|1,0,2]=4 731 B12R0.234 CCCCCCCOCCC(=O)N 34a_100000757172_100000210614 [0,1,0,0,0,0|1,0,2]=4 732 B12R0.234 CCCCCCCOCCC(=O)N 7a_100000210272_100000744528 [0,1,0,0,0,0|1,0,2]=4 733 B12R0.234 CCCCCCCOCCC(=O)N 7a_100000757172_100000210614 [0,1,0,0,0,0|1,0,2]=4 734 B12R0.234 CCCCCCCSCCC(=O)C 62a_100000053229_100000210316 [0,1,0,0,0,0|1,0,2]=4 735 B12R0.234 CCCCCCCSCCC(=O)C 62a_100000210614_100000053229 [0,1,0,0,0,0|1,0,2]=4 736 B12R0.234 CCCCCCCSCCC(=O)N 62a_100000210614_100000744528 [0,1,0,0,0,0|1,0,2]=4 737 B12R0.234 CCCCCCCSCCC(=O)N 62a_100000744528_100000210316 [0,1,0,0,0,0|1,0,2]=4 738 B12R0.234 CCCCCCNCCCC(=O)N 34a_100000739312_100000210314 [0,1,0,0,0,0|1,0,2]=4 739 B12R0.234 CCCCCCNCCNC(=O)C 2230a_100000209853_100000210314 [0,1,0,0,0,0|2,0,1]=4 740 B12R0.234 CCCCCCNCCNC(=O)C 2230a_100000210581_100000189650 [0,1,0,0,0,0|2,0,1]=4 741 B12R0.234 CCCCCCNCCNC(=O)N 2230a_100000210581_200000034859 [0,1,0,0,0,0|2,0,1]=4 742 B12R0.234 CCCCCCNCCNC(=O)N 34a_100020590234_100000210314 [0,1,0,0,0,0|2,0,1]=4 743 B12R0.234 CCCCCCOCCCC(=O)C 34a_100000210259_100000685027 [0,1,0,0,0,0|1,0,2]=4 744 B12R0.234 CCCCCCOCCCC(=O)C 34a_100000759063_100000210314 [0,1,0,0,0,0|1,0,2]=4 745 B12R0.234 CCCCCCOCCCC(=O)C 7a_100000210259_100011215641 [0,1,0,0,0,0|1,0,2]=4 746 B12R0.234 CCCCCCOCCCC(=O)C 7a_100000759063_100000210314 [0,1,0,0,0,0|1,0,2]=4 747 B12R0.234 CCCCCCOCCCC(=O)N 34a_100000210259_100102525003 [0,1,0,0,0,0|1,0,2]=4 748 B12R0.234 CCCCCCOCCCC(=O)N 7a_100000210259_100102525003 [0,1,0,0,0,0|1,0,2]=4 749 B12R0.234 CCCCCCOCCNC(=O)C 34a_100000158858_100000210314 [0,1,0,0,0,0|2,0,1]=4 750 B12R0.234 CCCCCCOCCNC(=O)C 7a_100000210259_100000189650 [0,1,0,0,0,0|2,0,1]=4 751 B12R0.234 CCCCCCOCCNC(=O)N 34a_100000181757_100000210314 [0,1,0,0,0,0|2,0,1]=4 752 B12R0.234 CCCCCCOCCNC(=O)N 7a_100000210259_200000034859 [0,1,0,0,0,0|2,0,1]=4 753 B12R0.234 CCCCCCOCCOC(=O)C 34a_100000210259_100009814007 [0,1,0,0,0,0|2,0,1]=4 754 B12R0.234 CCCCCCOCCOC(=O)C 7a_100000210259_100009814007 [0,1,0,0,0,0|2,0,1]=4 755 B12R0.234 CCCCCCOCCOC(=O)N 34a_100000210259_200011214921 [0,1,0,0,0,0|2,0,1]=4 756 B12R0.234 CCCCCCOCCOC(=O)N 7a_100000210259_200011214921 [0,1,0,0,0,0|2,0,1]=4 757 B12R0.234 CCCCCCOCCOC(=O)N 7a_100000766696_100000210314 [0,1,0,0,0,0|2,0,1]=4 758 B12R0.234 CCCCCCSCCCC(=O)C 62a_100000210314_100011215641 [0,1,0,0,0,0|1,0,2]=4 759 B12R0.234 CCCCCCSCCCC(=O)C 62a_100011215641_100000210757 [0,1,0,0,0,0|1,0,2]=4 760 B12R0.234 CCCCCCSCCCC(=O)N 62a_100000210314_100102525003 [0,1,0,0,0,0|1,0,2]=4 761 B12R0.234 CCCCCCSCCCC(=O)N 62a_100102525003_100000210757 [0,1,0,0,0,0|1,0,2]=4 762 B12R0.234 CCCCCCSCCNC(=O)C 62a_100000189650_100000210757 [0,1,0,0,0,0|2,0,1]=4 763 B12R0.234 CCCCCCSCCNC(=O)C 62a_100000210314_100000189650 [0,1,0,0,0,0|2,0,1]=4 764 B12R0.234 CCCCCCSCCNC(=O)N 62a_100000210314_200000034859 [0,1,0,0,0,0|2,0,1]=4 765 B12R0.234 CCCCCCSCCNC(=O)N 62a_200000034859_100000210757 [0,1,0,0,0,0|2,0,1]=4 766 B12R0.234 CCCCCCSCCOC(=O)C 62a_100000210314_100009814007 [0,1,0,0,0,0|2,0,1]=4 767 B12R0.234 CCCCCCSCCOC(=O)C 62a_100009814007_100000210757 [0,1,0,0,0,0|2,0,1]=4 768 B12R0.234 CCCCCCSCCOC(=O)N 62a_100000210314_200011214921 [0,1,0,0,0,0|2,0,1]=4 769 B12R0.234 CCCCCCSCCOC(=O)N 62a_200011214921_100000210757 [0,1,0,0,0,0|2,0,1]=4 770 B12R0.234 CCCCCNCCCCC(=O)N 34a_100000696515_100000718602 [0,1,0,0,0,0|1,0,2]=4 771 B12R0.234 CCCCCNCCCNC(=O)C 34a_100000736810_100000718602 [0,1,0,0,0,0|2,0,1]=4 772 B12R0.234 CCCCCNCCCSC(=O)C 2230a_100000209983_100000038929 [0,1,0,0,0,0|2,0,1]=4 773 B12R0.234 CCCCCNCCOCC(=O)N 2230a_100000209983_100000076697 [0,1,0,0,0,0|2,0,1]=4 774 B12R0.234 CCCCCNCCOCC(=O)N 34a_100000224656_100000187820 [0,1,0,0,0,0|2,0,1]=4 775 B12R0.234 CCCCCNCCOCC(=O)O 269956a_100000700818_100000210326 [0,1,0,0,0,0|1,0,1]=3 776 B12R0.234 CCCCCNCCOCC(=O)[O-] 34a_100000224656_100020667443 [0,1,0,0,0,0|1,0,2]=4 777 B12R0.234 CCCCCOCCCCC(=O)C 34a_100000210253_100009817362 [0,1,0,0,0,0|1,0,2]=4 778 B12R0.234 CCCCCOCCCCC(=O)C 7a_100000210253_100000735457 [0,1,0,0,0,0|1,0,2]=4 779 B12R0.234 CCCCCOCCCCC(=O)N 34a_100012022536_100000718602 [0,1,0,0,0,0|1,0,2]=4 780 B12R0.234 CCCCCOCCCCC(=O)N 7a_100012022536_100000210326 [0,1,0,0,0,0|1,0,2]=4 781 B12R0.234 CCCCCOCCCNC(=O)C 34a_100000752032_100000718602 [0,1,0,0,0,0|2,0,1]=4 782 B12R0.234 CCCCCOCCCOC(=O)C 34a_100000210253_100000042594 [0,1,0,0,0,0|2,0,1]=4 783 B12R0.234 CCCCCOCCCOC(=O)C 7a_100000210253_100000042594 [0,1,0,0,0,0|2,0,1]=4 784 B12R0.234 CCCCCOCCCSC(=O)C 34a_100000210253_100000038929 [0,1,0,0,0,0|2,0,1]=4 785 B12R0.234 CCCCCOCCCSC(=O)C 7a_100000210253_100000038929 [0,1,0,0,0,0|2,0,1]=4 786 B12R0.234 CCCCCOCCOCC(=O)N 34a_100000210253_100000076697 [0,1,0,0,0,0|2,0,1]=4 787 B12R0.234 CCCCCOCCOCC(=O)N 34a_100011215259_100000187820 [0,1,0,0,0,0|2,0,1]=4 788 B12R0.234 CCCCCOCCOCC(=O)N 7a_100000210253_100000076697 [0,1,0,0,0,0|2,0,1]=4 789 B12R0.234 CCCCCOCCOCC(=O)N 7a_100011215259_100000187820 [0,1,0,0,0,0|2,0,1]=4 790 B12R0.234 CCCCCOCCOCC(=O)[O-] 34a_100011215259_100020667443 [0,1,0,0,0,0|1,0,2]=4 791 B12R0.234 CCCCCSCCCCC(=O)C 62a_100000210326_100000735457 [0,1,0,0,0,0|1,0,2]=4 792 B12R0.234 CCCCCSCCCCC(=O)C 62a_100000735457_100000210326 [0,1,0,0,0,0|1,0,2]=4 793 B12R0.234 CCCCCSCCCOC(=O)C 62a_100000042594_100000210326 [0,1,0,0,0,0|2,0,1]=4 794 B12R0.234 CCCCCSCCCOC(=O)C 62a_100000210326_100000042594 [0,1,0,0,0,0|2,0,1]=4 795 B12R0.234 CCCCCSCCCSC(=O)C 62a_100000038929_100000210326 [0,1,0,0,0,0|2,0,1]=4 796 B12R0.234 CCCCCSCCCSC(=O)C 62a_100000210326_100000038929 [0,1,0,0,0,0|2,0,1]=4 797 B12R0.234 CCCCCSCCOCC(=O)N 62a_100000076697_100000210326 [0,1,0,0,0,0|2,0,1]=4 798 B12R0.234 CCCCCSCCOCC(=O)N 62a_100000210326_100000076697 [0,1,0,0,0,0|2,0,1]=4 799 B12R0.234 CCCCNCCCCCC(=O)N 2230a_100000102301_100009817443 [0,1,0,0,0,0|1,0,2]=4 800 B12R0.234 CCCCNCCCCCC(=O)N 7a_106832991798_100009817443 [0,1,0,0,0,0|1,0,2]=4 801 B12R0.234 CCCCOCCCCCC(=O)N 34a_100000123541_100000210210 [0,1,0,0,0,0|1,0,2]=4 802 B12R0.234 CCCCOCCCCCC(=O)N 34a_100000210227_100009817443 [0,1,0,0,0,0|1,0,2]=4 803 B12R0.234 CCCCOCCCCCC(=O)N 7a_100000123541_100000210211 [0,1,0,0,0,0|1,0,2]=4 804 B12R0.234 CCCCOCCCCCC(=O)N 7a_100000210227_100009817443 [0,1,0,0,0,0|1,0,2]=4 805 B12R0.234 CCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210211 [0,1,0,0,0,0|0,0,3]=4 806 B12R0.234 CCCCOCCNOCC(=O)O 269956a_100000106656_100000743108 [0,1,0,0,0,0|2,0,1]=4 807 B12R0.234 CCCCOCCOCCC(=O)C 34a_100000759926_100000743108 [0,1,0,0,0,0|2,0,1]=4 808 B12R0.234 CCCCOCCOCCC(=O)C 7a_100000210238_100000053229 [0,1,0,0,0,0|2,0,1]=4 809 B12R0.234 CCCCOCCOCCC(=O)C 7a_100000759926_100000743108 [0,1,0,0,0,0|2,0,1]=4 810 B12R0.234 CCCCOCCOCCC(=O)N 34a_100000210238_100000731001 [0,1,0,0,0,0|2,0,1]=4 811 B12R0.234 CCCCOCCOCCC(=O)N 34a_100000757172_100000743108 [0,1,0,0,0,0|2,0,1]=4 812 B12R0.234 CCCCOCCOCCC(=O)N 7a_100000210238_100000744528 [0,1,0,0,0,0|2,0,1]=4 813 B12R0.234 CCCCOCCOCCC(=O)N 7a_100000757172_100000743108 [0,1,0,0,0,0|2,0,1]=4 814 B12R0.234 CCCCOCCSCCC(=O)C 62a_100000053229_100000743108 [0,1,0,0,0,0|2,0,1]=4 815 B12R0.234 CCCCOCCSCCC(=O)C 62a_100000743108_100000053229 [0,1,0,0,0,0|2,0,1]=4 816 B12R0.234 CCCCOCCSCCC(=O)N 62a_100000743108_100000744528 [0,1,0,0,0,0|2,0,1]=4 817 B12R0.234 CCCCOCCSCCC(=O)N 62a_100000744528_100000743108 [0,1,0,0,0,0|2,0,1]=4 818 B12R0.234 CCCCOCNCCCC(=O)N 34a_100000739312_100011995733 [0,1,0,0,0,0|2,0,1]=4 819 B12R0.234 CCCCOCOCCCC(=O)C 34a_100000759063_100011995733 [0,1,0,0,0,0|2,0,1]=4 820 B12R0.234 CCCCOCSCCCC(=O)C 62a_100011215641_100011995733 [0,1,0,0,0,0|2,0,1]=4 821 B12R0.234 CCCCOCSCCCC(=O)C 62a_100011995733_100011215641 [0,1,0,0,0,0|2,0,1]=4 822 B12R0.234 CCCCOCSCCCC(=O)N 62a_100011995733_100102525003 [0,1,0,0,0,0|2,0,1]=4 823 B12R0.234 CCCCOCSCCCC(=O)N 62a_100102525003_100011995733 [0,1,0,0,0,0|2,0,1]=4 824 B12R0.234 CCCCSCCCCCC(=O)N 62a_100000210211_100009817443 [0,1,0,0,0,0|1,0,2]=4 825 B12R0.234 CCCCSCCCCCC(=O)N 62a_100009817443_100000210210 [0,1,0,0,0,0|1,0,2]=4 826 B12R0.234 CCCCSCCNCCC(=O)N 2230a_100025743550_100000744528 [0,1,0,0,0,0|2,0,1]=4 827 B12R0.234 CCCCSCCOCCC(=O)C 7a_200000230436_100000053229 [0,1,0,0,0,0|2,0,1]=4 828 B12R0.234 CCCCSCCOCCC(=O)N 34a_200000230436_100000731001 [0,1,0,0,0,0|2,0,1]=4 829 B12R0.234 CCCCSCCOCCC(=O)N 7a_200000230436_100000744528 [0,1,0,0,0,0|2,0,1]=4 830 B12R0.234 CCCOCCCNCCC(=O)N 2230a_100011217757_100000744528 [0,1,0,0,0,0|2,0,1]=4 831 B12R0.234 CCCOCCCNCCC(=O)N 34a_100011217757_100000731001 [0,1,0,0,0,0|2,0,1]=4 832 B12R0.234 CCCOCCNCCCC(=O)C 34a_100161115042_100000685027 [0,1,0,0,0,0|2,0,1]=4 833 B12R0.234 CCCOCCNCCCC(=O)N 34a_100000739312_100011215938 [0,1,0,0,0,0|2,0,1]=4 834 B12R0.234 CCCOCCNCCCC(=O)N 34a_100161115042_100102525003 [0,1,0,0,0,0|2,0,1]=4 835 B12R0.234 CCCOCCOCCCC(=O)C 34a_100000752267_100000685027 [0,1,0,0,0,0|2,0,1]=4 836 B12R0.234 CCCOCCOCCCC(=O)C 34a_100000759063_100011215938 [0,1,0,0,0,0|2,0,1]=4 837 B12R0.234 CCCOCCOCCCC(=O)C 7a_100000752267_100011215641 [0,1,0,0,0,0|2,0,1]=4 838 B12R0.234 CCCOCCOCCCC(=O)C 7a_100000759063_100011215938 [0,1,0,0,0,0|2,0,1]=4 839 B12R0.234 CCCOCCOCCCC(=O)N 34a_100000752267_100102525003 [0,1,0,0,0,0|2,0,1]=4 840 B12R0.234 CCCOCCOCCCC(=O)N 7a_100000752267_100102525003 [0,1,0,0,0,0|2,0,1]=4 841 B12R0.234 CCCOCCSCCCC(=O)C 62a_100011215641_100011215938 [0,1,0,0,0,0|2,0,1]=4 842 B12R0.234 CCCOCCSCCCC(=O)C 62a_100011215938_100011215641 [0,1,0,0,0,0|2,0,1]=4 843 B12R0.234 CCCOCCSCCCC(=O)N 62a_100011215938_100102525003 [0,1,0,0,0,0|2,0,1]=4 844 B12R0.234 CCCOCCSCCCC(=O)N 62a_100102525003_100011215938 [0,1,0,0,0,0|2,0,1]=4 845 B12R0.234 CCCSCCOCCCC(=O)C 34a_200000230433_100000685027 [0,1,0,0,0,0|2,0,1]=4 846 B12R0.234 CCCSCCOCCCC(=O)C 7a_200000230433_100011215641 [0,1,0,0,0,0|2,0,1]=4 847 B12R0.234 CCCSCCOCCCC(=O)N 34a_200000230433_100102525003 [0,1,0,0,0,0|2,0,1]=4 848 B12R0.234 CCCSCCOCCCC(=O)N 7a_200000230433_100102525003 [0,1,0,0,0,0|2,0,1]=4 849 B12R0.234 CCNCCOCCOCC(=O)O 269956a_100009854275_100000210202 [0,1,0,0,0,0|2,0,1]=4 850 B12R0.234 CCOCCCNCCCC(=O)C 34a_100000210961_100000685027 [0,1,0,0,0,0|2,0,1]=4 851 B12R0.234 CCOCCCNCCCC(=O)N 34a_100000210961_100102525003 [0,1,0,0,0,0|2,0,1]=4 852 B12R0.234 CCOCCCNCCCC(=O)N 34a_100000739312_100012232248 [0,1,0,0,0,0|2,0,1]=4 853 B12R0.234 CCOCCCOCCCC(=O)C 34a_100000757476_100000685027 [0,1,0,0,0,0|2,0,1]=4 854 B12R0.234 CCOCCCOCCCC(=O)C 34a_100000759063_100012232248 [0,1,0,0,0,0|2,0,1]=4 855 B12R0.234 CCOCCCOCCCC(=O)C 7a_100000757476_100011215641 [0,1,0,0,0,0|2,0,1]=4 856 B12R0.234 CCOCCCOCCCC(=O)C 7a_100000759063_100012232248 [0,1,0,0,0,0|2,0,1]=4 857 B12R0.234 CCOCCCOCCCC(=O)N 34a_100000757476_100102525003 [0,1,0,0,0,0|2,0,1]=4 858 B12R0.234 CCOCCCOCCCC(=O)N 7a_100000757476_100102525003 [0,1,0,0,0,0|2,0,1]=4 859 B12R0.234 CCOCCCSCCCC(=O)C 62a_100011215641_100012232248 [0,1,0,0,0,0|2,0,1]=4 860 B12R0.234 CCOCCCSCCCC(=O)C 62a_100012232248_100011215641 [0,1,0,0,0,0|2,0,1]=4 861 B12R0.234 CCOCCCSCCCC(=O)N 62a_100012232248_100102525003 [0,1,0,0,0,0|2,0,1]=4 862 B12R0.234 CCOCCCSCCCC(=O)N 62a_100102525003_100012232248 [0,1,0,0,0,0|2,0,1]=4 863 B12R0.234 CCOCCNCCOCC(=O)O 269956a_100000700818_100000210147 [0,1,0,0,0,0|2,0,1]=4 864 B12R0.234 CCOCCOCCNCC(=O)O 269956a_100016091260_100011211534 [0,1,0,0,0,0|2,0,1]=4 865 B12R0.234 CCSCCCOCCCC(=O)C 34a_100011216438_100000685027 [0,1,0,0,0,0|2,0,1]=4 866 B12R0.234 CCSCCCOCCCC(=O)C 7a_100011216438_100011215641 [0,1,0,0,0,0|2,0,1]=4 867 B12R0.234 CCSCCCOCCCC(=O)N 34a_100011216438_100102525003 [0,1,0,0,0,0|2,0,1]=4 868 B12R0.234 CCSCCCOCCCC(=O)N 7a_100011216438_100102525003 [0,1,0,0,0,0|2,0,1]=4 869 B12R0.234 CCSCCNCCOCC(=O)O 269956a_100000700818_100000757381 [0,1,0,0,0,0|2,0,1]=4 870 B12R0.234 CNCCCCCOCCC(=O)N 34a_100000722520_100000731001 [0,1,0,0,0,0|2,0,1]=4 871 B12R0.234 COCCCCCCNCC(=O)O 269956a_100016091260_100011998445 [0,1,0,0,0,0|1,0,2]=4 872 B12R0.234 COCCCCCNCCC(=O)N 2230a_100000747528_100000744528 [0,1,0,0,0,0|2,0,1]=4 873 B12R0.234 COCCCCCNCCC(=O)N 34a_100000747528_100000731001 [0,1,0,0,0,0|2,0,1]=4 874 B12R0.234 COCCCCNCCCC(=O)N 34a_100000739312_100000755781 [0,1,0,0,0,0|2,0,1]=4 875 B12R0.234 COCCCCOCCCC(=O)C 34a_100000740925_100000685027 [0,1,0,0,0,0|2,0,1]=4 876 B12R0.234 COCCCCOCCCC(=O)C 34a_100000759063_100000755781 [0,1,0,0,0,0|2,0,1]=4 877 B12R0.234 COCCCCOCCCC(=O)C 7a_100000759063_100000730899 [0,1,0,0,0,0|2,0,1]=4 878 B12R0.234 COCCCCOCCCC(=O)N 34a_100000740925_100102525003 [0,1,0,0,0,0|2,0,1]=4 879 B12R0.234 COCCCCSCCCC(=O)C 62a_100000730899_100011215641 [0,1,0,0,0,0|2,0,1]=4 880 B12R0.234 COCCCCSCCCC(=O)C 62a_100011215641_100000730899 [0,1,0,0,0,0|2,0,1]=4 881 B12R0.234 COCCCCSCCCC(=O)N 62a_100000730899_100102525003 [0,1,0,0,0,0|2,0,1]=4 882 B12R0.234 COCCCCSCCCC(=O)N 62a_100102525003_100000730899 [0,1,0,0,0,0|2,0,1]=4 883 B12R0.234 COCCCNCCOCC(=O)O 269956a_100000700818_100000740836 [0,1,0,0,0,0|2,0,1]=4 884 B12R0.234 CSCCCCOCCCC(=O)C 34a_100011217163_100000685027 [0,1,0,0,0,0|2,0,1]=4 885 B12R0.234 CSCCCCOCCCC(=O)C 7a_100011217163_100011215641 [0,1,0,0,0,0|2,0,1]=4 886 B12R0.234 CSCCCCOCCCC(=O)N 34a_100011217163_100102525003 [0,1,0,0,0,0|2,0,1]=4 887 B12R0.234 CSCCCCOCCCC(=O)N 7a_100011217163_100102525003 [0,1,0,0,0,0|2,0,1]=4 888 B12R0.234 NC(=O)CCCNCCCCCF 34a_100000739312_100000729378 [0,1,0,0,0,0|2,0,1]=4 889 B12R0.234 NC(=O)CCCNCCCCCO 34a_100000739312_100000746330 [0,1,0,0,0,0|2,0,1]=4 890 B12R0.234 NC(=O)CCCNCCCCCO 34a_100000762737_100102525003 [0,1,0,0,0,0|2,0,1]=4 891 B12R0.234 NC(=O)CCCOCCCCCBr 34a_100000746331_100102525003 [0,1,0,0,0,0|2,0,1]=4 892 B12R0.234 NC(=O)CCCOCCCCCBr 7a_100000746331_100102525003 [0,1,0,0,0,0|2,0,1]=4 893 B12R0.234 NC(=O)CCCOCCCCCCl 34a_100000746330_100102525003 [0,1,0,0,0,0|2,0,1]=4 894 B12R0.234 NC(=O)CCCOCCCCCCl 7a_100000746330_100102525003 [0,1,0,0,0,0|2,0,1]=4 895 B12R0.234 NC(=O)CCCOCCCCCI 34a_200012148887_100102525003 [0,1,0,0,0,0|2,0,1]=4 896 B12R0.234 NC(=O)CCCOCCCCCI 7a_200012148887_100102525003 [0,1,0,0,0,0|2,0,1]=4 897 B12R0.234 NC(=O)CCCSCCCCCF 62a_100000729378_100102525003 [0,1,0,0,0,0|2,0,1]=4 898 B12R0.234 NC(=O)CCCSCCCCCF 62a_100102525003_100000729378 [0,1,0,0,0,0|2,0,1]=4 899 B12R0.234 NC(=O)CCCSCCCCCO 62a_100000746330_100102525003 [0,1,0,0,0,0|2,0,1]=4 900 B12R0.234 NC(=O)CCCSCCCCCO 62a_100102525003_100000746330 [0,1,0,0,0,0|2,0,1]=4 901 B12R0.234 NC(=O)CCNCCCCCCO 2230a_100000686447_100000744528 [0,1,0,0,0,0|2,0,1]=4 902 B12R0.234 NC(=O)CCNCCCCCCO 34a_100000686447_100000731001 [0,1,0,0,0,0|2,0,1]=4 903 B12R0.234 NC(=O)CCOCCCCCCBr 34a_100011215345_100000731001 [0,1,0,0,0,0|2,0,1]=4 904 B12R0.234 NC(=O)CCOCCCCCCBr 7a_100011215345_100000744528 [0,1,0,0,0,0|2,0,1]=4 905 B12R0.234 NC(=O)CCOCCCCCCCl 34a_100000766143_100000731001 [0,1,0,0,0,0|2,0,1]=4 906 B12R0.234 NC(=O)CCOCCCCCCCl 7a_100000766143_100000744528 [0,1,0,0,0,0|2,0,1]=4 907 B12R0.234 NC(=O)CCOCCCCCCF 34a_100000732779_100000731001 [0,1,0,0,0,0|2,0,1]=4 908 B12R0.234 NC(=O)CCOCCCCCCF 34a_100000757172_100015922095 [0,1,0,0,0,0|2,0,1]=4 909 B12R0.234 NC(=O)CCOCCCCCCF 7a_100000732779_100000744528 [0,1,0,0,0,0|2,0,1]=4 910 B12R0.234 NC(=O)CCOCCCCCCF 7a_100000757172_100015922095 [0,1,0,0,0,0|2,0,1]=4 911 B12R0.234 NC(=O)CCOCCCCCCO 34a_100000757172_100000766143 [0,1,0,0,0,0|2,0,1]=4 912 B12R0.234 NC(=O)CCOCCCCCCO 7a_100000757172_100000766143 [0,1,0,0,0,0|2,0,1]=4 913 B12R0.234 NC(=O)CCSCCCCCCF 62a_100000744528_100015922095 [0,1,0,0,0,0|2,0,1]=4 914 B12R0.234 NC(=O)CCSCCCCCCF 62a_100015922095_100000744528 [0,1,0,0,0,0|2,0,1]=4 915 B12R0.234 NC(=O)CCSCCCCCCO 62a_100000744528_100000766143 [0,1,0,0,0,0|2,0,1]=4 916 B12R0.234 NC(=O)CCSCCCCCCO 62a_100000766143_100000744528 [0,1,0,0,0,0|2,0,1]=4 917 B12R0.234 NCCCCCCOCCC(=O)N 34a_100000686447_100000731001 [0,1,0,0,0,0|2,0,1]=4 918 B12R0.234 NCCCCCOCCCC(=O)N 34a_100000762737_100102525003 [0,1,0,0,0,0|2,0,1]=4 919 B12R0.234 O=C(O)CNCCCCCCCO 269956a_100016091260_100000760002 [0,1,0,0,0,0|1,0,2]=4 920 B12R0.234 O=C(O)COCCNCCCCF 269956a_100000700818_100000729493 [0,1,0,0,0,0|2,0,1]=4 921 B12R0.234 O=C(O)COCCNCCCCO 269956a_100000700818_100000210776 [0,1,0,0,0,0|2,0,1]=4 922 B12R0.234 O=C(O)CONCCCCCCF 269956a_100000106656_100015922095 [0,1,0,0,0,0|2,0,1]=4 923 B12R0.234 O=C(O)CONCCCCCCO 269956a_100000106656_100000766143 [0,1,0,0,0,0|2,0,1]=4 924 B12R0.234 [13CH3]C(=O)CCCCCCCCCF 1458a_200009909015_200025704644 [0,1,0,0,0,0|1,0,2]=4 925 B12R0.248 C#CC(=O)CCCCCCCCC 1458a_100000211873_100000210670 [0,1,0,0,0,0|1,0,2]=4 926 B12R0.248 C=CC(=O)CCCCCCCCC 1458a_100000185746_100000210670 [0,1,0,0,0,0|1,0,2]=4 927 B12R0.248 CCCC/C=C/COCC(=O)OC 34a_200016272032_100000747449 [0,1,0,0,0,0|1,0,2]=4 928 B12R0.248 CCCC/C=C/COCC(=O)OC 7a_200016272032_100000747449 [0,1,0,0,0,0|1,0,2]=4 929 B12R0.248 CCCCC#CCCCC(=O)CO 1458a_100000210174_200000047210 [0,1,0,0,0,0|0,0,3]=4 930 B12R0.248 CCCCC/C=C/CCC(=O)CC 1458a_200015255902_100000210202 [0,1,0,0,0,0|1,0,0]=2 931 B12R0.248 CCCCC/C=C/CCC(=O)CF 1458a_200015255902_100015361967 [0,1,0,0,0,0|1,0,0]=2 932 B12R0.248 CCCCC/C=C/CCC(=O)NC 11a_106832991635_200015255902 [0,1,0,0,0,0|1,0,0]=2 933 B12R0.248 CCCCC/C=C/CCC(=O)NC 1626a_100102657272_200015255902 [0,1,0,0,0,0|1,0,0]=2 934 B12R0.248 CCCCC/C=C/CCC(=O)NC 240690a_100102657272_200015255902 [0,1,0,0,0,0|1,0,0]=2 935 B12R0.248 CCCCC/C=C/CCC(=O)NC 527a_100102657272_200015255902 [0,1,0,0,0,0|1,0,0]=2 936 B12R0.248 CCCCC/C=C/COC(C)CO 34a_100016258190_100012180447 [0,1,0,0,0,0|2,0,1]=4 937 B12R0.248 CCCCC/C=C/COC(C)CO 7a_100016258190_100012180447 [0,1,0,0,0,0|2,0,1]=4 938 B12R0.248 CCCCCC/C=C/CC(=O)CC 1458a_100020681715_100000210202 [0,1,0,0,0,0|1,0,2]=4 939 B12R0.248 CCCCCC/C=C/CC(=O)CF 1458a_100020681715_100015361967 [0,1,0,0,0,0|1,0,2]=4 940 B12R0.248 CCCCCC/C=C/CC(=O)NC 11a_106832991635_100020681715 [0,1,0,0,0,0|1,0,2]=4 941 B12R0.248 CCCCCC/C=C/CC(=O)NC 1626a_100102657272_100020681715 [0,1,0,0,0,0|1,0,2]=4 942 B12R0.248 CCCCCC/C=C/CC(=O)NC 240690a_100102657272_100020681715 [0,1,0,0,0,0|1,0,2]=4 943 B12R0.248 CCCCCCCCCC(=O)CC 1458a_100000210414_100000210670 [0,1,0,0,0,0|1,0,2]=4 944 B12R0.248 CCCCCCCCCC(=O)CC 1458a_100000210558_100000210202 [0,1,0,0,0,0|1,0,2]=4 945 B12R0.248 CCCCCCCCCC(=O)CF 1458a_100000210558_100015361967 [0,1,0,0,0,0|1,0,2]=4 946 B12R0.248 CCCCCCCCCC(=O)CO 1458a_100000210174_100000210670 [0,1,0,0,0,0|0,0,2]=3 947 B12R0.248 CCCCCCCCCC(=O)NC 11a_106832991635_100000210558 [0,1,0,0,0,0|1,0,2]=4 948 B12R0.248 CCCCCCCCCC(=O)NC 1626a_100102657272_100000210558 [0,1,0,0,0,0|1,0,2]=4 949 B12R0.248 CCCCCCCCCC(=O)NC 240690a_100102657272_100000210558 [0,1,0,0,0,0|1,0,2]=4 950 B12R0.248 CCCCCCCCCC(=O)NC 527a_100102657272_100000210558 [0,1,0,0,0,0|1,0,2]=4 951 B12R0.248 CCCCCCCCNC(=O)CO 240690a_100000229939_100000210174 [0,1,0,0,0,0|1,0,2]=4 952 B12R0.248 CCCCCCCCNC(=O)CO 527a_100000229939_100000210174 [0,1,0,0,0,0|1,0,2]=4 953 B12R0.248 CCCCCCCNCC(=O)OC 2230a_100000229938_100000747449 [0,1,0,0,0,0|1,0,2]=4 954 B12R0.248 CCCCCCCOCC(=O)OC 34a_100000210272_100000747449 [0,1,0,0,0,0|1,0,2]=4 955 B12R0.248 CCCCCCCOCC(=O)OC 7a_100000210272_100000747449 [0,1,0,0,0,0|1,0,2]=4 956 B12R0.248 CCCCCCCSCC(=O)OC 62a_100000210614_100000747449 [0,1,0,0,0,0|1,0,2]=4 957 B12R0.248 CCCCCCCSCC(=O)OC 62a_100000747449_100000210316 [0,1,0,0,0,0|1,0,2]=4 958 B12R0.248 CCCCCCNCCC(=O)NC 2230a_100000210581_100000737683 [0,1,0,0,0,0|2,0,1]=4 959 B12R0.248 CCCCCCNCCC(=O)NC 2230a_100000738227_100000210314 [0,1,0,0,0,0|2,0,1]=4 960 B12R0.248 CCCCCCNCCC(=O)NC 34a_100000738227_100000210314 [0,1,0,0,0,0|2,0,1]=4 961 B12R0.248 CCCCCCNCCC(=O)OC 2230a_100000210581_100000204255 [0,1,0,0,0,0|1,0,1]=3 962 B12R0.248 CCCCCCOCCC(=NO)N 34a_100000749954_100000210314 [0,1,0,0,0,0|2,0,1]=4 963 B12R0.248 CCCCCCOCCC(=O)NC 34a_100000210259_100012179268 [0,1,0,0,0,0|2,0,1]=4 964 B12R0.248 CCCCCCOCCC(=O)NC 34a_100000754576_100000210314 [0,1,0,0,0,0|2,0,1]=4 965 B12R0.248 CCCCCCOCCC(=O)NC 7a_100000210259_100000737683 [0,1,0,0,0,0|2,0,1]=4 966 B12R0.248 CCCCCCOCCC(=O)OC 34a_100000210259_100000742370 [0,1,0,0,0,0|1,0,1]=3 967 B12R0.248 CCCCCCOCCC(=O)OC 7a_100000210259_100000204255 [0,1,0,0,0,0|1,0,1]=3 968 B12R0.248 CCCCCCSCCC(=O)NC 62a_100000210314_100000737683 [0,1,0,0,0,0|2,0,1]=4 969 B12R0.248 CCCCCCSCCC(=O)NC 62a_100000737683_100000210757 [0,1,0,0,0,0|2,0,1]=4 970 B12R0.248 CCCCCCSCCC(=O)OC 62a_100000204255_100000210757 [0,1,0,0,0,0|1,0,1]=3 971 B12R0.248 CCCCCCSCCC(=O)OC 62a_100000210314_100000204255 [0,1,0,0,0,0|1,0,1]=3 972 B12R0.248 CCCCCCSCOC(=O)OC 62a_100000210314_100000139417 [0,1,0,0,0,0|2,0,1]=4 973 B12R0.248 CCCCCNCCCC(=O)NC 2230a_100000209983_100000741757 [0,1,0,0,0,0|2,0,1]=4 974 B12R0.248 CCCCCNCCCC(=O)NC 2230a_100000740002_100000210326 [0,1,0,0,0,0|2,0,1]=4 975 B12R0.248 CCCCCNCCCC(=O)NC 34a_100000740002_100000718602 [0,1,0,0,0,0|2,0,1]=4 976 B12R0.248 CCCCCNCCCC(=O)OC 2230a_100000209983_100011218270 [0,1,0,0,0,0|1,0,1]=3 977 B12R0.248 CCCCCNN=CCC(=O)OC 4a_100000694160_200011552997 [0,1,0,0,0,0|2,0,1]=4 978 B12R0.248 CCCCCOCCCC(=O)NC 34a_100000210253_100000741757 [0,1,0,0,0,0|2,0,1]=4 979 B12R0.248 CCCCCOCCCC(=O)NC 7a_100000210253_100000741757 [0,1,0,0,0,0|2,0,1]=4 980 B12R0.248 CCCCCOCCCC(=O)NN 34a_100000211488_100000718602 [0,1,0,0,0,0|2,0,1]=4 981 B12R0.248 CCCCCOCCCC(=O)OC 34a_100000210253_100000742333 [0,1,0,0,0,0|1,0,1]=3 982 B12R0.248 CCCCCOCCCC(=O)OC 7a_100000210253_100011218270 [0,1,0,0,0,0|1,0,1]=3 983 B12R0.248 CCCCCOCCNC(=O)OC 34a_100000757965_100000718602 [0,1,0,0,0,0|2,0,1]=4 984 B12R0.248 CCCCCOCCOC(=O)OC 34a_100010262106_100000718602 [0,1,0,0,0,0|2,0,1]=4 985 B12R0.248 CCCCCSCCCC(=O)NC 62a_100000210326_100000741757 [0,1,0,0,0,0|2,0,1]=4 986 B12R0.248 CCCCCSCCCC(=O)NC 62a_100000741757_100000210326 [0,1,0,0,0,0|2,0,1]=4 987 B12R0.248 CCCCCSCCCC(=O)OC 62a_100000210326_100011218270 [0,1,0,0,0,0|1,0,1]=3 988 B12R0.248 CCCCCSCCCC(=O)OC 62a_100011218270_100000210326 [0,1,0,0,0,0|1,0,1]=3 989 B12R0.248 CCCCNCCCCC(=O)OC 2230a_100000102301_100000204269 [0,1,0,0,0,0|1,0,2]=4 990 B12R0.248 CCCCNCCCCC(=O)OC 7a_106832991798_100000204269 [0,1,0,0,0,0|1,0,2]=4 991 B12R0.248 CCCCNN=CCCC(=O)OC 4a_100025702795_100012047195 [0,1,0,0,0,0|2,0,0]=3 992 B12R0.248 CCCCOCCCCC(=O)OC 34a_100000059025_100000210210 [0,1,0,0,0,0|1,0,2]=4 993 B12R0.248 CCCCOCCCCC(=O)OC 34a_100000210227_100000204269 [0,1,0,0,0,0|1,0,2]=4 994 B12R0.248 CCCCOCCCCC(=O)OC 7a_100000059025_100000210211 [0,1,0,0,0,0|1,0,2]=4 995 B12R0.248 CCCCOCCCCC(=O)OC 7a_100000210227_100000204269 [0,1,0,0,0,0|1,0,2]=4 996 B12R0.248 CCCCOCSCCC(=O)OC 62a_100000204255_100011995733 [0,1,0,0,0,0|2,0,1]=4 997 B12R0.248 CCCCOCSCCC(=O)OC 62a_100011995733_100000204255 [0,1,0,0,0,0|2,0,1]=4 998 B12R0.248 CCCCSCCCCC(=O)OC 62a_100000204269_100000210210 [0,1,0,0,0,0|1,0,2]=4 999 B12R0.248 CCCCSCCCCC(=O)OC 62a_100000210211_100000204269 [0,1,0,0,0,0|1,0,2]=4 1000 B12R0.248 CCCNN=CCCCC(=O)OC 4a_100000740057_100000094087 [0,1,0,0,0,0|2,0,1]=4 1001 B12R0.248 CCCOCCCCCC(=O)OC 34a_100000074720_100000210303 [0,1,0,0,0,0|1,0,2]=4 1002 B12R0.248 CCCOCCCCCC(=O)OC 34a_100000210258_100009816466 [0,1,0,0,0,0|1,0,2]=4 1003 B12R0.248 CCCOCCCCCC(=O)OC 7a_100000074720_100000210303 [0,1,0,0,0,0|1,0,2]=4 1004 B12R0.248 CCCOCCNCCC(=O)OC 2230a_100161115042_100000204255 [0,1,0,0,0,0|2,0,1]=4 1005 B12R0.248 CCCOCCNCCC(=O)OC 34a_100161115042_100000742370 [0,1,0,0,0,0|2,0,1]=4 1006 B12R0.248 CCCOCCOCCC(=O)OC 34a_100000752267_100000742370 [0,1,0,0,0,0|2,0,1]=4 1007 B12R0.248 CCCOCCOCCC(=O)OC 7a_100000752267_100000204255 [0,1,0,0,0,0|2,0,1]=4 1008 B12R0.248 CCCOCCSCCC(=O)OC 62a_100000204255_100011215938 [0,1,0,0,0,0|2,0,1]=4 1009 B12R0.248 CCCOCCSCCC(=O)OC 62a_100011215938_100000204255 [0,1,0,0,0,0|2,0,1]=4 1010 B12R0.248 CCCSCCCCCC(=O)OC 62a_100000210303_100009816466 [0,1,0,0,0,0|1,0,2]=4 1011 B12R0.248 CCCSCCCCCC(=O)OC 62a_100009816466_100000210303 [0,1,0,0,0,0|1,0,2]=4 1012 B12R0.248 CCCSCCNCCC(=O)OC 2230a_100020603323_100000204255 [0,1,0,0,0,0|2,0,1]=4 1013 B12R0.248 CCCSCCOCCC(=O)OC 34a_200000230433_100000742370 [0,1,0,0,0,0|2,0,1]=4 1014 B12R0.248 CCCSCCOCCC(=O)OC 7a_200000230433_100000204255 [0,1,0,0,0,0|2,0,1]=4 1015 B12R0.248 CCNCCCCCCC(=O)OC 2230a_100015525214_100009815986 [0,1,0,0,0,0|1,0,2]=4 1016 B12R0.248 CCOCCCCCCC(=O)OC 34a_100009863599_100000210202 [0,1,0,0,0,0|1,0,2]=4 1017 B12R0.248 CCOCCCCCCC(=O)OC 34a_100121572206_100009815986 [0,1,0,0,0,0|1,0,2]=4 1018 B12R0.248 CCOCCCCCCC(=O)OC 7a_100009863599_100000210202 [0,1,0,0,0,0|1,0,2]=4 1019 B12R0.248 CCOCCCNCCC(=O)OC 2230a_100000210961_100000204255 [0,1,0,0,0,0|2,0,1]=4 1020 B12R0.248 CCOCCCNCCC(=O)OC 34a_100000210961_100000742370 [0,1,0,0,0,0|2,0,1]=4 1021 B12R0.248 CCOCCCOCCC(=O)OC 34a_100000757476_100000742370 [0,1,0,0,0,0|2,0,1]=4 1022 B12R0.248 CCOCCCOCCC(=O)OC 7a_100000757476_100000204255 [0,1,0,0,0,0|2,0,1]=4 1023 B12R0.248 CCOCCCSCCC(=O)OC 62a_100000204255_100012232248 [0,1,0,0,0,0|2,0,1]=4 1024 B12R0.248 CCOCCCSCCC(=O)OC 62a_100012232248_100000204255 [0,1,0,0,0,0|2,0,1]=4 1025 B12R0.248 CCOCCNCCCC(=O)OC 2230a_102516460346_100011218270 [0,1,0,0,0,0|2,0,1]=4 1026 B12R0.248 CCOCCNCCCC(=O)OC 34a_102516460346_100000742333 [0,1,0,0,0,0|2,0,1]=4 1027 B12R0.248 CCOCCOCCCC(=O)OC 34a_100000210136_100000742333 [0,1,0,0,0,0|2,0,1]=4 1028 B12R0.248 CCOCCOCCCC(=O)OC 7a_100000210136_100011218270 [0,1,0,0,0,0|2,0,1]=4 1029 B12R0.248 CCOCCSCCCC(=O)OC 62a_100000210147_100011218270 [0,1,0,0,0,0|2,0,1]=4 1030 B12R0.248 CCOCCSCCCC(=O)OC 62a_100011218270_100011215890 [0,1,0,0,0,0|2,0,1]=4 1031 B12R0.248 CCSCCCCCCC(=O)OC 62a_100000210202_100009815986 [0,1,0,0,0,0|1,0,2]=4 1032 B12R0.248 CCSCCCCCCC(=O)OC 62a_100009815986_100000210202 [0,1,0,0,0,0|1,0,2]=4 1033 B12R0.248 CCSCCCOCCC(=O)OC 34a_100011216438_100000742370 [0,1,0,0,0,0|2,0,1]=4 1034 B12R0.248 CCSCCCOCCC(=O)OC 7a_100011216438_100000204255 [0,1,0,0,0,0|2,0,1]=4 1035 B12R0.248 CCSCCNCCCC(=O)OC 2230a_100000106463_100011218270 [0,1,0,0,0,0|2,0,1]=4 1036 B12R0.248 CCSCCOCCCC(=O)OC 34a_100000212035_100000742333 [0,1,0,0,0,0|2,0,1]=4 1037 B12R0.248 CCSCCOCCCC(=O)OC 7a_100000212035_100011218270 [0,1,0,0,0,0|2,0,1]=4 1038 B12R0.248 CCSCCSCCCC(=O)OC 62a_100000757381_100011218270 [0,1,0,0,0,0|2,0,1]=4 1039 B12R0.248 CCSCCSCCCC(=O)OC 62a_100011218270_100000757381 [0,1,0,0,0,0|2,0,1]=4 1040 B12R0.248 CNCCCCCCCC(=O)OC 2230a_106832991635_100010004213 [0,1,0,0,0,0|1,0,2]=4 1041 B12R0.248 CNCCCCCCCC(=O)OC 34a_100102657272_100010004213 [0,1,0,0,0,0|1,0,2]=4 1042 B12R0.248 CNCCCCCCCC(=O)OC 7a_106832991635_100010004213 [0,1,0,0,0,0|1,0,2]=4 1043 B12R0.248 CNCCCOCCCC(=O)OC 34a_100000213112_100000742333 [0,1,0,0,0,0|2,0,1]=4 1044 B12R0.248 COC(=O)CCCCCCCO[13CH3] 34a_100011022521_200025704644 [0,1,0,0,0,0|1,0,2]=4 1045 B12R0.248 COC(=O)CCCCCCCO[13CH3] 7a_100011022521_200025704644 [0,1,0,0,0,0|1,0,2]=4 1046 B12R0.248 COC(=O)CCCCCCCSC 62a_100010004213_200000210301 [0,1,0,0,0,0|1,0,2]=4 1047 B12R0.248 COC(=O)CCCCCCCSC 62a_200000210301_100010004213 [0,1,0,0,0,0|1,0,2]=4 1048 B12R0.248 COC(=O)CCCCCCCS[13CH3] 62a_100010004213_200025704644 [0,1,0,0,0,0|1,0,2]=4 1049 B12R0.248 COC(=O)CCCCCCCS[13CH3] 62a_200025704644_100010004213 [0,1,0,0,0,0|1,0,2]=4 1050 B12R0.248 COC(=O)CCCNCCCCO 2230a_100000750430_100011218270 [0,1,0,0,0,0|2,0,1]=4 1051 B12R0.248 COC(=O)CCCNCCCCO 34a_100000750430_100000742333 [0,1,0,0,0,0|2,0,1]=4 1052 B12R0.248 COC(=O)CCCNCCCSC 2230a_100000749238_100011218270 [0,1,0,0,0,0|2,0,1]=4 1053 B12R0.248 COC(=O)CCCOCCCCBr 34a_100011216708_100000742333 [0,1,0,0,0,0|2,0,1]=4 1054 B12R0.248 COC(=O)CCCOCCCCCl 34a_100000210776_100000742333 [0,1,0,0,0,0|2,0,1]=4 1055 B12R0.248 COC(=O)CCCOCCCCCl 7a_100000210776_100011218270 [0,1,0,0,0,0|2,0,1]=4 1056 B12R0.248 COC(=O)CCCOCCCCF 34a_100011995726_100000742333 [0,1,0,0,0,0|2,0,1]=4 1057 B12R0.248 COC(=O)CCCOCCCCF 7a_100011995726_100011218270 [0,1,0,0,0,0|2,0,1]=4 1058 B12R0.248 COC(=O)CCCOCCCCI 34a_200012148704_100000742333 [0,1,0,0,0,0|2,0,1]=4 1059 B12R0.248 COC(=O)CCCOCCCCN 34a_100000750430_100000742333 [0,1,0,0,0,0|2,0,1]=4 1060 B12R0.248 COC(=O)CCCOCCCSC 34a_100000690336_100000742333 [0,1,0,0,0,0|2,0,1]=4 1061 B12R0.248 COC(=O)CCCOCCCSC 7a_100000690336_100011218270 [0,1,0,0,0,0|2,0,1]=4 1062 B12R0.248 COC(=O)CCCSCCCCF 62a_100000729493_100011218270 [0,1,0,0,0,0|2,0,1]=4 1063 B12R0.248 COC(=O)CCCSCCCCF 62a_100011218270_100000729493 [0,1,0,0,0,0|2,0,1]=4 1064 B12R0.248 COC(=O)CCCSCCCCO 62a_100000210776_100011218270 [0,1,0,0,0,0|2,0,1]=4 1065 B12R0.248 COC(=O)CCCSCCCCO 62a_100011218270_100000210776 [0,1,0,0,0,0|2,0,1]=4 1066 B12R0.248 COC(=O)CCNCCCCCO 2230a_100000762737_100000204255 [0,1,0,0,0,0|2,0,1]=4 1067 B12R0.248 COC(=O)CCNCCCCCO 34a_100000762737_100000742370 [0,1,0,0,0,0|2,0,1]=4 1068 B12R0.248 COC(=O)CCOCCCCCBr 34a_100000746331_100000742370 [0,1,0,0,0,0|2,0,1]=4 1069 B12R0.248 COC(=O)CCOCCCCCBr 7a_100000746331_100000204255 [0,1,0,0,0,0|2,0,1]=4 1070 B12R0.248 COC(=O)CCOCCCCCCl 34a_100000746330_100000742370 [0,1,0,0,0,0|2,0,1]=4 1071 B12R0.248 COC(=O)CCOCCCCCCl 7a_100000746330_100000204255 [0,1,0,0,0,0|2,0,1]=4 1072 B12R0.248 COC(=O)CCOCCCCCI 34a_200012148887_100000742370 [0,1,0,0,0,0|2,0,1]=4 1073 B12R0.248 COC(=O)CCOCCCCCI 7a_200012148887_100000204255 [0,1,0,0,0,0|2,0,1]=4 1074 B12R0.248 COC(=O)CCOCCCCCN 34a_100000762737_100000742370 [0,1,0,0,0,0|2,0,1]=4 1075 B12R0.248 COC(=O)CCOCCCCSC 34a_100011217163_100000742370 [0,1,0,0,0,0|2,0,1]=4 1076 B12R0.248 COC(=O)CCOCCCCSC 7a_100011217163_100000204255 [0,1,0,0,0,0|2,0,1]=4 1077 B12R0.248 COC(=O)CCSCCCCCF 62a_100000204255_100000729378 [0,1,0,0,0,0|2,0,1]=4 1078 B12R0.248 COC(=O)CCSCCCCCF 62a_100000729378_100000204255 [0,1,0,0,0,0|2,0,1]=4 1079 B12R0.248 COC(=O)CCSCCCCCO 62a_100000204255_100000746330 [0,1,0,0,0,0|2,0,1]=4 1080 B12R0.248 COC(=O)CCSCCCCCO 62a_100000746330_100000204255 [0,1,0,0,0,0|2,0,1]=4 1081 B12R0.248 COCCCCCCCC(=O)OC 34a_100011022521_200000210301 [0,1,0,0,0,0|1,0,2]=4 1082 B12R0.248 COCCCCCCCC(=O)OC 34a_100138415774_100010004213 [0,1,0,0,0,0|1,0,2]=4 1083 B12R0.248 COCCCCCCCC(=O)OC 7a_100011022521_200000210301 [0,1,0,0,0,0|1,0,2]=4 1084 B12R0.248 COCCCCOCCC(=O)OC 34a_100000740925_100000742370 [0,1,0,0,0,0|2,0,1]=4 1085 B12R0.248 COCCCCSCCC(=O)OC 62a_100000204255_100000730899 [0,1,0,0,0,0|2,0,1]=4 1086 B12R0.248 COCCCCSCCC(=O)OC 62a_100000730899_100000204255 [0,1,0,0,0,0|2,0,1]=4 1087 B12R0.248 COCCCNCCCC(=O)OC 34a_100150723488_100000742333 [0,1,0,0,0,0|2,0,1]=4 1088 B12R0.248 COCCCOCCCC(=O)OC 34a_100000740835_100000742333 [0,1,0,0,0,0|2,0,1]=4 1089 B12R0.248 COCCCSCCCC(=O)OC 62a_100000709357_100011218270 [0,1,0,0,0,0|2,0,1]=4 1090 B12R0.248 COCCCSCCCC(=O)OC 62a_100011218270_100000709357 [0,1,0,0,0,0|2,0,1]=4 1091 B12R0.248 O=C(CO)CCCCCCCCO 1458a_100000210174_100000033203 [0,1,0,0,0,0|1,0,2]=4 1092 B12R0.251 CC(CNCCCCCF)C(=O)O 269956a_100000749485_100000729378 [0,1,0,0,0,0|2,0,1]=4 1093 B12R0.251 CC(CNCCCCCO)C(=O)O 269956a_100000749485_100000746330 [0,1,0,0,0,0|2,0,1]=4 1094 B12R0.251 CCCCCCCCC(O)C(=O)C 1458a_200011995895_200000210301 [0,1,0,0,0,0|1,0,2]=4 1095 B12R0.251 CCCCCCCCC(O)C(=O)[13CH3] 1458a_200011995895_200025704644 [0,1,0,0,0,0|1,0,2]=4 1096 B12R0.251 CCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210614 [0,1,0,0,0,0|1,0,2]=4 1097 B12R0.251 CCCCCCNCC(C)C(=O)O 269956a_100000749485_100000210757 [0,1,0,0,0,0|1,0,1]=3 1098 B12R0.251 CCCCCCNCC(F)C(=O)O 269956a_100000084737_100000210757 [0,1,0,0,0,0|1,0,1]=3 1099 B12R0.251 CCCCCCOCC(C)C(=O)C 34a_100000032740_100000210314 [0,1,0,0,0,0|2,0,1]=4 1100 B12R0.251 CCCCCCOCC(C)C(=O)C 7a_100000032740_100000210314 [0,1,0,0,0,0|2,0,1]=4 1101 B12R0.251 CCCCCCOC[C@H](N)C(=O)N 34a_100000729942_100000210314 [0,1,0,0,0,0|2,0,1]=4 1102 B12R0.251 CCCCOCNCC(C)C(=O)O 269956a_100000749485_100011995733 [0,1,0,0,0,0|2,0,1]=4 1103 B12R0.251 CCCCOCNCC(F)C(=O)O 269956a_100000084737_100011995733 [0,1,0,0,0,0|2,0,1]=4 1104 B12R0.251 CCCOCCNCC(C)C(=O)O 269956a_100000749485_100011215938 [0,1,0,0,0,0|2,0,1]=4 1105 B12R0.251 CCCOCCNCC(F)C(=O)O 269956a_100000084737_100011215938 [0,1,0,0,0,0|2,0,1]=4 1106 B12R0.251 CCOCCCNCC(C)C(=O)O 269956a_100000749485_100012232248 [0,1,0,0,0,0|2,0,1]=4 1107 B12R0.251 CCOCCCNCC(F)C(=O)O 269956a_100000084737_100012232248 [0,1,0,0,0,0|2,0,1]=4 1108 B12R0.251 COCCCCNCC(C)C(=O)O 269956a_100000749485_100000730899 [0,1,0,0,0,0|2,0,1]=4 1109 B12R0.251 COCCCCNCC(F)C(=O)O 269956a_100000084737_100000730899 [0,1,0,0,0,0|2,0,1]=4 1110 B12R0.251 O=C(O)C(F)CNCCCCCF 269956a_100000084737_100000729378 [0,1,0,0,0,0|2,0,1]=4 1111 B12R0.251 O=C(O)C(F)CNCCCCCO 269956a_100000084737_100000746330 [0,1,0,0,0,0|2,0,1]=4 1112 B12R0.255 C=C(C)CCC(=O)C=CCCCC 1458a_100016266645_100000730704 [0,1,0,0,0,0|2,0,1]=4 1113 B12R0.255 C=C(C)CCC(=O)CCCCCC 1458a_100102632555_100000730704 [0,1,0,0,0,0|2,0,1]=4 1114 B12R0.255 C=C(C)CCC(=O)CCCCCC 1458a_200000688413_100000210757 [0,1,0,0,0,0|2,0,1]=4 1115 B12R0.255 C=C(C)CCC(=O)NCCCCC 11a_100000209983_200000688413 [0,1,0,0,0,0|3,0,0]=4 1116 B12R0.255 C=C(C)CCC(=O)NCCCCC 1626a_100000209983_200000688413 [0,1,0,0,0,0|3,0,0]=4 1117 B12R0.255 C=C(C)CCC(=O)NCCCCC 240690a_100000209983_200000688413 [0,1,0,0,0,0|3,0,0]=4 1118 B12R0.255 C=C(C)CCC(=O)NCCCCC 527a_100000209983_200000688413 [0,1,0,0,0,0|3,0,0]=4 1119 B12R0.255 CC(=O)CCC(=O)OCCCCO 1458a_200009914559_200000210301 [0,1,0,0,0,0|3,0,0]=4 1120 B12R0.255 CCCCC=CC(=O)CCC(C)O 1458a_100016266645_100012276601 [0,1,0,0,0,0|1,0,2]=4 1121 B12R0.255 CCCCC=CC(=O)NCC(=O)N 11a_100000711301_100016266645 [0,1,0,0,0,0|2,0,1]=4 1122 B12R0.255 CCCCC=CC(=O)NCC(=O)N 240690a_100000711301_100016266645 [0,1,0,0,0,0|2,0,1]=4 1123 B12R0.255 CCCCCCC(=O)CCC(=O)N 1458a_100011215257_100000210757 [0,1,0,0,0,0|1,0,1]=3 1124 B12R0.255 CCCCCCC(=O)CCC(C)O 1458a_100102632555_100012276601 [0,1,0,0,0,0|1,0,2]=4 1125 B12R0.255 CCCCCCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000210757 [0,1,0,0,0,0|1,0,2]=4 1126 B12R0.255 CCCCCCC(=O)CNC(=O)C 1458a_100000194580_100000210757 [0,1,0,0,0,0|2,0,1]=4 1127 B12R0.255 CCCCCCC(=O)CNC(=O)N 1458a_100000184981_100000210757 [0,1,0,0,0,0|2,0,1]=4 1128 B12R0.255 CCCCCCC(=O)COC(=O)C 1458a_100000183556_100000210757 [0,1,0,0,0,0|2,0,1]=4 1129 B12R0.255 CCCCCCC(=O)CSC(=O)C 1458a_100000049016_100000210757 [0,1,0,0,0,0|2,0,1]=4 1130 B12R0.255 CCCCCCC(=O)NCC(=O)N 11a_100000711301_100102632555 [0,1,0,0,0,0|2,0,1]=4 1131 B12R0.255 CCCCCCC(=O)NCC(=O)N 240690a_100000711301_100102632555 [0,1,0,0,0,0|2,0,1]=4 1132 B12R0.255 CCCCCCC(=O)NCC(=O)N 527a_100000711301_100102632555 [0,1,0,0,0,0|2,0,1]=4 1133 B12R0.255 CCCCCCC(C)NCC(=O)O 269956a_100016091260_100011215978 [0,1,0,0,0,0|1,0,2]=4 1134 B12R0.255 CCCCCCN(C)CCC(=O)C 269982a_106256046315_100000053229 [0,1,0,0,0,0|2,0,1]=4 1135 B12R0.255 CCCCCCN(C)CCC(=O)N 2230a_100000730477_100000210314 [0,1,0,0,0,0|2,0,1]=4 1136 B12R0.255 CCCCCCN(C)CCC(=O)N 2230a_106256046315_100000744528 [0,1,0,0,0,0|2,0,1]=4 1137 B12R0.255 CCCCCCN(C)CCC(=O)N 269982a_106256046315_100000744528 [0,1,0,0,0,0|2,0,1]=4 1138 B12R0.255 CCCCCNC(=O)CCC(=O)N 240690a_100000209983_100011215257 [0,1,0,0,0,0|2,0,0]=3 1139 B12R0.255 CCCCCNC(=O)CCC(=O)N 527a_100000209983_100011215257 [0,1,0,0,0,0|2,0,0]=3 1140 B12R0.255 CCCCCNC(=O)CCC(C)O 1626a_100000209983_100000718519 [0,1,0,0,0,0|2,0,1]=4 1141 B12R0.255 CCCCCNC(=O)CC[N+](=O)[O-] 11a_100000209983_200000064761 [0,1,0,0,0,0|2,0,1]=4 1142 B12R0.255 CCCCCNC(=O)CC[N+](=O)[O-] 1626a_100000209983_200000064761 [0,1,0,0,0,0|2,0,1]=4 1143 B12R0.255 CCCCCNC(=O)CC[N+](=O)[O-] 240690a_100000209983_200000064761 [0,1,0,0,0,0|2,0,1]=4 1144 B12R0.255 CCCCCNC(=O)CNC(=O)C 11a_100000209983_100000194580 [0,1,0,0,0,0|3,0,0]=4 1145 B12R0.255 CCCCCNC(=O)CNC(=O)C 1626a_100000209983_100000194580 [0,1,0,0,0,0|3,0,0]=4 1146 B12R0.255 CCCCCNC(=O)CNC(=O)C 240690a_100000209983_100000194580 [0,1,0,0,0,0|3,0,0]=4 1147 B12R0.255 CCCCCNC(=O)CNC(=O)C 527a_100000209983_100000194580 [0,1,0,0,0,0|3,0,0]=4 1148 B12R0.255 CCCCCNC(=O)CNC(=O)N 240690a_100000209983_100000184981 [0,1,0,0,0,0|3,0,0]=4 1149 B12R0.255 CCCCCNC(=O)CNC(=O)N 527a_100000209983_100000184981 [0,1,0,0,0,0|3,0,0]=4 1150 B12R0.255 CCCCCNC(=O)COC(=O)C 1626a_100000209983_100000183556 [0,1,0,0,0,0|3,0,0]=4 1151 B12R0.255 CCCCCNC(=O)COC(=O)C 240690a_100000209983_100000183556 [0,1,0,0,0,0|3,0,0]=4 1152 B12R0.255 CCCCCNC(=O)COC(=O)C 527a_100000209983_100000183556 [0,1,0,0,0,0|3,0,0]=4 1153 B12R0.255 CCCCCNC(=O)CSC(=O)C 11a_100000209983_100000049016 [0,1,0,0,0,0|3,0,0]=4 1154 B12R0.255 CCCCCNC(=O)CSC(=O)C 1626a_100000209983_100000049016 [0,1,0,0,0,0|3,0,0]=4 1155 B12R0.255 CCCCCNC(=O)CSC(=O)C 240690a_100000209983_100000049016 [0,1,0,0,0,0|3,0,0]=4 1156 B12R0.255 CCCCCNC(=O)CSC(=O)N 240690a_100000209983_200015941356 [0,1,0,0,0,0|3,0,0]=4 1157 B12R0.255 CCCCCNC(=O)NCC(=O)N 2708a_100000209983_100000711301 [0,1,0,0,0,0|3,0,0]=4 1158 B12R0.255 CCCCCNC(=O)NCC(=O)N 273464a_100000209983_100000711301 [0,1,0,0,0,0|3,0,0]=4 1159 B12R0.255 CCCCCNC(=O)NCC(=O)N 273464a_100000711301_100000209983 [0,1,0,0,0,0|3,0,0]=4 1160 B12R0.255 CCCCCNC(=O)NCC(=O)N 512a_100000209983_100000711301 [0,1,0,0,0,0|3,0,0]=4 1161 B12R0.255 CCCCNCC(=O)NCC(=O)O 269956a_100000183575_100000210211 [0,1,0,0,0,0|2,0,1]=4 1162 B12R0.255 CCCCNNC(=O)CCC(=O)N 22a_100025702795_100011215257 [0,1,0,0,0,0|3,0,0]=4 1163 B12R0.255 CCCCOCC(=O)CCC(=O)N 1458a_100011215257_100011995733 [0,1,0,0,0,0|2,0,1]=4 1164 B12R0.255 CCCNCCC(=O)NCC(=O)O 269956a_100000722369_100000210207 [0,1,0,0,0,0|2,0,1]=4 1165 B12R0.255 CCCOCCC(=O)CCC(=O)N 1458a_100011215257_100011215938 [0,1,0,0,0,0|2,0,1]=4 1166 B12R0.255 CCOCCCC(=O)CCC(=O)N 1458a_100011215257_100012232248 [0,1,0,0,0,0|2,0,1]=4 1167 B12R0.255 CCOCCNC(=O)CCC(=O)N 240690a_100011200944_100011215257 [0,1,0,0,0,0|3,0,0]=4 1168 B12R0.255 CCOCCNC(=O)CCC(=O)N 527a_100011200944_100011215257 [0,1,0,0,0,0|3,0,0]=4 1169 B12R0.255 CCSCCNC(=O)CCC(=O)N 240690a_100000106463_100011215257 [0,1,0,0,0,0|3,0,0]=4 1170 B12R0.255 CCSCCNC(=O)CCC(=O)N 527a_100000106463_100011215257 [0,1,0,0,0,0|3,0,0]=4 1171 B12R0.255 COCCCCC(=O)CCC(=O)N 1458a_100011215257_100000755781 [0,1,0,0,0,0|2,0,1]=4 1172 B12R0.255 COCCCNC(=O)CCC(=O)N 240690a_100150723488_100011215257 [0,1,0,0,0,0|3,0,0]=4 1173 B12R0.255 COCCCNC(=O)CCC(=O)N 527a_100150723488_100011215257 [0,1,0,0,0,0|3,0,0]=4 1174 B12R0.255 CSCCCNC(=O)CCC(=O)N 240690a_100000749238_100011215257 [0,1,0,0,0,0|3,0,0]=4 1175 B12R0.255 CSCCCNC(=O)CCC(=O)N 527a_100000749238_100011215257 [0,1,0,0,0,0|3,0,0]=4 1176 B12R0.255 NC(=O)CCC(=O)CCCCCF 1458a_100011215257_100000729378 [0,1,0,0,0,0|2,0,1]=4 1177 B12R0.255 NC(=O)CCC(=O)CCCCCO 1458a_100011215257_100000746330 [0,1,0,0,0,0|2,0,1]=4 1178 B12R0.255 NC(=O)CCC(=O)NCCCCO 240690a_100000750430_100011215257 [0,1,0,0,0,0|3,0,0]=4 1179 B12R0.255 NC(=O)CCC(=O)NCCCCO 527a_100000750430_100011215257 [0,1,0,0,0,0|3,0,0]=4 1180 B12R0.255 [13CH3]C(=O)CCC(=O)OCCCCO 1458a_200009914559_200025704644 [0,1,0,0,0,0|3,0,0]=4 1181 B12R0.268 CC(=O)CCCNCCCC(C)C 34a_200000737386_100000685027 [0,1,0,0,0,0|2,0,1]=4 1182 B12R0.268 CC(=O)CCCOCCCC(C)C 34a_100000210774_100000685027 [0,1,0,0,0,0|2,0,1]=4 1183 B12R0.268 CC(=O)CCCOCCCC(C)C 34a_100000759063_100011214892 [0,1,0,0,0,0|2,0,1]=4 1184 B12R0.268 CC(=O)CCCOCCCC(C)C 7a_100000210774_100011215641 [0,1,0,0,0,0|2,0,1]=4 1185 B12R0.268 CC(=O)CCCOCCCC(C)C 7a_100000759063_100011214892 [0,1,0,0,0,0|2,0,1]=4 1186 B12R0.268 CC(=O)CCCOCCCC(C)O 34a_100000759063_200000718107 [0,1,0,0,0,0|2,0,1]=4 1187 B12R0.268 CC(=O)CCCOCCCC(C)O 7a_100000759063_200000718107 [0,1,0,0,0,0|2,0,1]=4 1188 B12R0.268 CC(=O)CCCSCCCC(C)C 62a_100011214892_100011215641 [0,1,0,0,0,0|2,0,1]=4 1189 B12R0.268 CC(=O)CCCSCCCC(C)C 62a_100011215641_100011214892 [0,1,0,0,0,0|2,0,1]=4 1190 B12R0.268 CC(=O)CCCSCCCC(C)O 62a_100011215641_200000718107 [0,1,0,0,0,0|2,0,1]=4 1191 B12R0.268 CC(=O)CCCSCCCC(C)O 62a_200000718107_100011215641 [0,1,0,0,0,0|2,0,1]=4 1192 B12R0.268 CC(=O)CCOCCCCC(C)C 34a_100000759926_100011216152 [0,1,0,0,0,0|2,0,1]=4 1193 B12R0.268 CC(=O)CCOCCCCC(C)C 7a_100000759926_100011216152 [0,1,0,0,0,0|2,0,1]=4 1194 B12R0.268 CC(=O)CCOCCCCC(C)C 7a_100011214890_100000053229 [0,1,0,0,0,0|2,0,1]=4 1195 B12R0.268 CC(=O)CCSCCCCC(C)C 62a_100000053229_100011216152 [0,1,0,0,0,0|2,0,1]=4 1196 B12R0.268 CC(=O)CCSCCCCC(C)C 62a_100011216152_100000053229 [0,1,0,0,0,0|2,0,1]=4 1197 B12R0.268 CC(C)CCCCCNCC(=O)O 269956a_100016091260_100000210682 [0,1,0,0,0,0|1,0,2]=4 1198 B12R0.268 CC(C)CCCCNOCC(=O)O 269956a_100000106656_100011216152 [0,1,0,0,0,0|2,0,1]=4 1199 B12R0.268 CC(C)CCCCOCCC(=O)N 34a_100000757172_100011216152 [0,1,0,0,0,0|2,0,1]=4 1200 B12R0.268 CC(C)CCCCOCCC(=O)N 34a_100011214890_100000731001 [0,1,0,0,0,0|2,0,1]=4 1201 B12R0.268 CC(C)CCCCOCCC(=O)N 7a_100000757172_100011216152 [0,1,0,0,0,0|2,0,1]=4 1202 B12R0.268 CC(C)CCCCOCCC(=O)N 7a_100011214890_100000744528 [0,1,0,0,0,0|2,0,1]=4 1203 B12R0.268 CC(C)CCCCSCCC(=O)N 62a_100000744528_100011216152 [0,1,0,0,0,0|2,0,1]=4 1204 B12R0.268 CC(C)CCCCSCCC(=O)N 62a_100011216152_100000744528 [0,1,0,0,0,0|2,0,1]=4 1205 B12R0.268 CC(C)CCCNCCCC(=O)N 34a_100000739312_100011214892 [0,1,0,0,0,0|2,0,1]=4 1206 B12R0.268 CC(C)CCCNCCCC(=O)N 34a_200000737386_100102525003 [0,1,0,0,0,0|2,0,1]=4 1207 B12R0.268 CC(C)CCCOCCCC(=O)N 34a_100000210774_100102525003 [0,1,0,0,0,0|2,0,1]=4 1208 B12R0.268 CC(C)CCCOCCCC(=O)N 7a_100000210774_100102525003 [0,1,0,0,0,0|2,0,1]=4 1209 B12R0.268 CC(C)CCCSCCCC(=O)N 62a_100011214892_100102525003 [0,1,0,0,0,0|2,0,1]=4 1210 B12R0.268 CC(C)CCCSCCCC(=O)N 62a_100102525003_100011214892 [0,1,0,0,0,0|2,0,1]=4 1211 B12R0.268 CC(O)CCCNCCCC(=O)N 34a_100000739312_200000718107 [0,1,0,0,0,0|2,0,1]=4 1212 B12R0.268 CC(O)CCCSCCCC(=O)N 62a_100102525003_200000718107 [0,1,0,0,0,0|2,0,1]=4 1213 B12R0.268 CC(O)CCCSCCCC(=O)N 62a_200000718107_100102525003 [0,1,0,0,0,0|2,0,1]=4 1214 B12R0.277 CCCC(C)CCOCCC(=O)C 7a_100011217855_100000053229 [0,1,0,0,0,0|2,0,1]=4 1215 B12R0.277 CCCC(C)CCOCCC(=O)N 34a_100011217855_100000731001 [0,1,0,0,0,0|2,0,1]=4 1216 B12R0.277 CCCC(C)CCOCCC(=O)N 7a_100011217855_100000744528 [0,1,0,0,0,0|2,0,1]=4 1217 B12R0.277 CCCC(C)CNCCCC(=O)N 34a_100000739312_100011216630 [0,1,0,0,0,0|2,0,1]=4 1218 B12R0.277 CCCC(C)COCCCC(=O)C 34a_100000688023_100000685027 [0,1,0,0,0,0|2,0,1]=4 1219 B12R0.277 CCCC(C)COCCCC(=O)C 34a_100000759063_100011216630 [0,1,0,0,0,0|2,0,1]=4 1220 B12R0.277 CCCC(C)COCCCC(=O)C 7a_100000688023_100011215641 [0,1,0,0,0,0|2,0,1]=4 1221 B12R0.277 CCCC(C)COCCCC(=O)C 7a_100000759063_100011216630 [0,1,0,0,0,0|2,0,1]=4 1222 B12R0.277 CCCC(C)COCCCC(=O)N 34a_100000688023_100102525003 [0,1,0,0,0,0|2,0,1]=4 1223 B12R0.277 CCCC(C)COCCCC(=O)N 7a_100000688023_100102525003 [0,1,0,0,0,0|2,0,1]=4 1224 B12R0.277 CCCC(C)CSCCCC(=O)C 62a_100011215641_100011216630 [0,1,0,0,0,0|2,0,1]=4 1225 B12R0.277 CCCC(C)CSCCCC(=O)C 62a_100011216630_100011215641 [0,1,0,0,0,0|2,0,1]=4 1226 B12R0.277 CCCC(C)CSCCCC(=O)N 62a_100011216630_100102525003 [0,1,0,0,0,0|2,0,1]=4 1227 B12R0.277 CCCC(C)CSCCCC(=O)N 62a_100102525003_100011216630 [0,1,0,0,0,0|2,0,1]=4 1228 B12R0.277 CCC[C@H](N)CCOCCC(=O)N 34a_100015193777_100000731001 [0,1,0,0,0,0|2,0,1]=4 1229 B12R0.277 CCC[C@H](N)COCCCC(=O)C 34a_100000732646_100000685027 [0,1,0,0,0,0|2,0,1]=4 1230 B12R0.277 CCC[C@H](N)COCCCC(=O)N 34a_100000732646_100102525003 [0,1,0,0,0,0|2,0,1]=4 1231 B12R1.7 CCCCCOC1CCC(=O)C1 34a_100012614533_100000718602 [0,0,0,1,0,0|2,0,1]=4 1232 B12R1.7 CCCCCOC1COC(=O)O1 34a_100000210253_100000032252 [0,0,0,1,0,0|2,0,1]=4 1233 B12R1.7 CCCCCSC1COC(=O)O1 62a_100000210326_100000032252 [0,0,0,1,0,0|2,0,1]=4 1234 B12R1.62 CCCCCCSC1CC(=O)C1 62a_100009894365_100000210757 [0,0,0,1,0,0|2,0,1]=4 1235 B12R1.62 CCCCCNCC1CC(=O)C1 2230a_100000209983_100009874392 [0,0,0,1,0,0|2,0,1]=4 1236 B12R1.62 CCCCCOCC1CC(=O)C1 34a_100000101936_100000718602 [0,0,0,1,0,0|2,0,1]=4 1237 B12R1.62 CCCCCOCC1CC(=O)C1 7a_100000210253_100009874392 [0,0,0,1,0,0|2,0,1]=4 1238 B12R1.62 CCCCCSCC1CC(=O)C1 62a_100000210326_100009874392 [0,0,0,1,0,0|2,0,1]=4 1239 B12R1.62 CCCCCSCC1CC(=O)C1 62a_100009874392_100000210326 [0,0,0,1,0,0|2,0,1]=4 1240 B12R1.81 CCC1CCCN1CCC(=O)C 269982a_100000754278_100000053229 [0,0,0,1,0,0|2,0,1]=4 1241 B12R1.81 CCC1CCCN1CCC(=O)N 2230a_100000754278_100000744528 [0,0,0,1,0,0|2,0,1]=4 1242 B12R1.81 CCC1CCCN1CCC(=O)N 269982a_100000754278_100000744528 [0,0,0,1,0,0|2,0,1]=4 1243 B12R1.81 CCC1CCCN1CCC(=O)N 34a_100000754278_100000731001 [0,0,0,1,0,0|2,0,1]=4 1244 B12R1.125 CC(=O)CCN1CCCCC1C 269982a_100000211376_100000053229 [0,0,0,1,0,0|2,0,1]=4 1245 B12R1.125 CC1CCCCN1CCC(=O)N 2230a_100000211376_100000744528 [0,0,0,1,0,0|2,0,1]=4 1246 B12R1.125 CC1CCCCN1CCC(=O)N 269982a_100000211376_100000744528 [0,0,0,1,0,0|2,0,1]=4 1247 B12R1.125 CC1CCCCN1CCC(=O)N 34a_100000211376_100000731001 [0,0,0,1,0,0|2,0,1]=4 1248 B12R1.125 CN1CCCCC1CCC(=O)O 269956a_100000694054_200000210301 [0,0,0,1,0,0|1,0,2]=4 1249 B12R1.125 [13CH3]N1CCCCC1CCC(=O)O 269956a_100000694054_200025704644 [0,0,0,1,0,0|1,0,2]=4 1250 B12R1.130 CC(=O)CCCN1CCC[C@@H]1C 269982a_100020605311_100011215641 [0,0,0,1,0,0|2,0,1]=4 1251 B12R1.130 CC(=O)CCCN1CCC[C@H]1C 269982a_100015189458_100011215641 [0,0,0,1,0,0|2,0,1]=4 1252 B12R1.130 CC(=O)CCCN1CCC[C@H]1C 34a_100015189458_100000685027 [0,0,0,1,0,0|2,0,1]=4 1253 B12R1.130 CC(=O)CCOC1CCCC1C 7a_100011216460_100000053229 [0,0,0,1,0,0|2,0,1]=4 1254 B12R1.130 CC1CCCC1NCCC(=O)N 269862a_100000740010_100000752053 [0,0,0,1,0,0|2,0,1]=4 1255 B12R1.130 CC1CCCC1OCCC(=O)N 34a_100011216460_100000731001 [0,0,0,1,0,0|2,0,1]=4 1256 B12R1.130 CC1CCCC1OCCC(=O)N 7a_100011216460_100000744528 [0,0,0,1,0,0|2,0,1]=4 1257 B12R1.130 C[C@@H]1CCCN1CCCC(=O)N 269982a_100015189458_100102525003 [0,0,0,1,0,0|2,0,1]=4 1258 B12R1.130 C[C@@H]1CCCN1CCCC(=O)N 34a_100015189458_100102525003 [0,0,0,1,0,0|2,0,1]=4 1259 B12R1.130 C[C@H]1CCCN1CCCC(=O)N 269982a_100020605311_100102525003 [0,0,0,1,0,0|2,0,1]=4 1260 B12R1.143 CC(=O)CCCOCC1CC1C 34a_100000744939_100000685027 [0,0,0,1,0,0|2,0,1]=4 1261 B12R1.143 CC(=O)CCCOCC1CC1C 7a_100000744939_100011215641 [0,0,0,1,0,0|2,0,1]=4 1262 B12R1.143 CC1CC1COCCCC(=O)N 34a_100000744939_100102525003 [0,0,0,1,0,0|2,0,1]=4 1263 B12R1.143 CC1CC1COCCCC(=O)N 7a_100000744939_100102525003 [0,0,0,1,0,0|2,0,1]=4 1264 B12R1.252 CC(=O)CCCC1CCCCC1 1458a_100000070787_100011713725 [0,0,0,1,0,0|1,0,2]=4 1265 B12R1.252 CC(=O)CCCC1CCCCC1 1458a_100000211478_200000210301 [0,0,0,1,0,0|1,0,2]=4 1266 B12R1.252 CC(=O)CCCN1CCCCC1 1458a_100000070787_100000690320 [0,0,0,1,0,0|2,0,1]=4 1267 B12R1.252 CC(=O)CCCN1CCCCC1 1458a_100000742516_200000210301 [0,0,0,1,0,0|2,0,1]=4 1268 B12R1.252 CC(=O)CCOC1CCCCC1 1458a_100000070787_100011211530 [0,0,0,1,0,0|2,0,1]=4 1269 B12R1.252 CC(=O)CCOC1CCCCC1 34a_100000759926_100000210327 [0,0,0,1,0,0|2,0,1]=4 1270 B12R1.252 CC(=O)CCOC1CCCCC1 7a_100000210231_100000053229 [0,0,0,1,0,0|2,0,1]=4 1271 B12R1.252 CC(=O)CCOC1CCCCC1 7a_100000759926_100000210327 [0,0,0,1,0,0|2,0,1]=4 1272 B12R1.252 CC(=O)CCSC1CCCCC1 62a_100000053229_100000210327 [0,0,0,1,0,0|2,0,1]=4 1273 B12R1.252 CC(=O)CCSC1CCCCC1 62a_100000210327_100000053229 [0,0,0,1,0,0|2,0,1]=4 1274 B12R1.252 NC(=O)CCNC1CCCCC1 2230a_100000182618_100000744528 [0,0,0,1,0,0|2,0,1]=4 1275 B12R1.252 NC(=O)CCNC1CCCCC1 34a_100000182618_100000731001 [0,0,0,1,0,0|2,0,1]=4 1276 B12R1.252 NC(=O)CCOC1CCCCC1 34a_100000210231_100000731001 [0,0,0,1,0,0|2,0,1]=4 1277 B12R1.252 NC(=O)CCOC1CCCCC1 34a_100000757172_100000210327 [0,0,0,1,0,0|2,0,1]=4 1278 B12R1.252 NC(=O)CCOC1CCCCC1 7a_100000210231_100000744528 [0,0,0,1,0,0|2,0,1]=4 1279 B12R1.252 NC(=O)CCOC1CCCCC1 7a_100000757172_100000210327 [0,0,0,1,0,0|2,0,1]=4 1280 B12R1.252 NC(=O)CCSC1CCCCC1 62a_100000210327_100000744528 [0,0,0,1,0,0|2,0,1]=4 1281 B12R1.252 NC(=O)CCSC1CCCCC1 62a_100000744528_100000210327 [0,0,0,1,0,0|2,0,1]=4 1282 B12R1.252 O=C(O)CNCC1CCCCC1 269956a_100016091260_100000211423 [0,0,0,1,0,0|1,0,2]=4 1283 B12R1.252 O=C(O)CONC1CCCCC1 269956a_100000106656_100000210327 [0,0,0,1,0,0|2,0,1]=4 1284 B12R1.252 [13CH3]C(=O)CCCC1CCCCC1 1458a_100000211478_200025704644 [0,0,0,1,0,0|1,0,2]=4 1285 B12R1.252 [13CH3]C(=O)CCCN1CCCCC1 1458a_100000742516_200025704644 [0,0,0,1,0,0|2,0,1]=4 1286 B12R1.255 CC(=O)CCCNC1CCCC1 34a_100000211070_100000685027 [0,0,0,1,0,0|2,0,1]=4 1287 B12R1.255 CC(=O)CCCOC1CCCC1 34a_100000210269_100000685027 [0,0,0,1,0,0|2,0,1]=4 1288 B12R1.255 CC(=O)CCCOC1CCCC1 34a_100000759063_100000179811 [0,0,0,1,0,0|2,0,1]=4 1289 B12R1.255 CC(=O)CCCOC1CCCC1 7a_100000210269_100011215641 [0,0,0,1,0,0|2,0,1]=4 1290 B12R1.255 CC(=O)CCCOC1CCCC1 7a_100000759063_100000179811 [0,0,0,1,0,0|2,0,1]=4 1291 B12R1.255 CC(=O)CCCSC1CCCC1 62a_100011215641_100000179811 [0,0,0,1,0,0|2,0,1]=4 1292 B12R1.255 CC(=O)CCCSC1CCCC1 62a_100011217020_100011215641 [0,0,0,1,0,0|2,0,1]=4 1293 B12R1.255 CC(=O)CCOCC1CCCC1 34a_100000759926_100000740388 [0,0,0,1,0,0|2,0,1]=4 1294 B12R1.255 CC(=O)CCOCC1CCCC1 7a_100000742336_100000053229 [0,0,0,1,0,0|2,0,1]=4 1295 B12R1.255 CC(=O)CCOCC1CCCC1 7a_100000759926_100000740388 [0,0,0,1,0,0|2,0,1]=4 1296 B12R1.255 CC(=O)CCSCC1CCCC1 62a_100000053229_100000740388 [0,0,0,1,0,0|2,0,1]=4 1297 B12R1.255 CC(=O)CCSCC1CCCC1 62a_100000740388_100000053229 [0,0,0,1,0,0|2,0,1]=4 1298 B12R1.255 NC(=O)CCCNC1CCCC1 34a_100000211070_100102525003 [0,0,0,1,0,0|2,0,1]=4 1299 B12R1.255 NC(=O)CCCNC1CCCC1 34a_100000739312_100000179811 [0,0,0,1,0,0|2,0,1]=4 1300 B12R1.255 NC(=O)CCCOC1CCCC1 34a_100000210269_100102525003 [0,0,0,1,0,0|2,0,1]=4 1301 B12R1.255 NC(=O)CCCOC1CCCC1 7a_100000210269_100102525003 [0,0,0,1,0,0|2,0,1]=4 1302 B12R1.255 NC(=O)CCCSC1CCCC1 62a_100011217020_100102525003 [0,0,0,1,0,0|2,0,1]=4 1303 B12R1.255 NC(=O)CCCSC1CCCC1 62a_100102525003_100000179811 [0,0,0,1,0,0|2,0,1]=4 1304 B12R1.255 NC(=O)CCNCC1CCCC1 2230a_100000737975_100000744528 [0,0,0,1,0,0|2,0,1]=4 1305 B12R1.255 NC(=O)CCNCC1CCCC1 269862a_100000740010_100000746403 [0,0,0,1,0,0|2,0,1]=4 1306 B12R1.255 NC(=O)CCNCC1CCCC1 34a_100000737975_100000731001 [0,0,0,1,0,0|2,0,1]=4 1307 B12R1.255 NC(=O)CCOCC1CCCC1 34a_100000742336_100000731001 [0,0,0,1,0,0|2,0,1]=4 1308 B12R1.255 NC(=O)CCOCC1CCCC1 34a_100000757172_100000740388 [0,0,0,1,0,0|2,0,1]=4 1309 B12R1.255 NC(=O)CCOCC1CCCC1 7a_100000742336_100000744528 [0,0,0,1,0,0|2,0,1]=4 1310 B12R1.255 NC(=O)CCOCC1CCCC1 7a_100000757172_100000740388 [0,0,0,1,0,0|2,0,1]=4 1311 B12R1.255 NC(=O)CCSCC1CCCC1 62a_100000740388_100000744528 [0,0,0,1,0,0|2,0,1]=4 1312 B12R1.255 NC(=O)CCSCC1CCCC1 62a_100000744528_100000740388 [0,0,0,1,0,0|2,0,1]=4 1313 B12R1.255 O=C(O)CNCCC1CCCC1 269956a_100016091260_100000760354 [0,0,0,1,0,0|1,0,2]=4 1314 B12R1.255 O=C(O)CONCC1CCCC1 269956a_100000106656_100000740388 [0,0,0,1,0,0|2,0,1]=4 1315 B12R1.257 CC(=O)CCCNCC1CCC1 34a_100000738700_100000685027 [0,0,0,1,0,0|2,0,1]=4 1316 B12R1.257 CC(=O)CCCOCC1CCC1 34a_100000759063_100000763275 [0,0,0,1,0,0|2,0,1]=4 1317 B12R1.257 CC(=O)CCCOCC1CCC1 34a_100000760304_100000685027 [0,0,0,1,0,0|2,0,1]=4 1318 B12R1.257 CC(=O)CCCOCC1CCC1 7a_100000759063_100000763275 [0,0,0,1,0,0|2,0,1]=4 1319 B12R1.257 CC(=O)CCCSCC1CCC1 62a_100000763275_100011215641 [0,0,0,1,0,0|2,0,1]=4 1320 B12R1.257 CC(=O)CCCSCC1CCC1 62a_100011215641_100000763275 [0,0,0,1,0,0|2,0,1]=4 1321 B12R1.257 NC(=O)CCCNCC1CCC1 269862a_100000739312_100000753134 [0,0,0,1,0,0|2,0,1]=4 1322 B12R1.257 NC(=O)CCCNCC1CCC1 34a_100000738700_100102525003 [0,0,0,1,0,0|2,0,1]=4 1323 B12R1.257 NC(=O)CCCNCC1CCC1 34a_100000739312_100000763275 [0,0,0,1,0,0|2,0,1]=4 1324 B12R1.257 NC(=O)CCCOCC1CCC1 34a_100000760304_100102525003 [0,0,0,1,0,0|2,0,1]=4 1325 B12R1.257 NC(=O)CCCSCC1CCC1 62a_100000763275_100102525003 [0,0,0,1,0,0|2,0,1]=4 1326 B12R1.257 NC(=O)CCCSCC1CCC1 62a_100102525003_100000763275 [0,0,0,1,0,0|2,0,1]=4 1327 B12R1.283 CCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210207 [0,0,0,1,0,0|1,0,2]=4 1328 B12R1.283 CCCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000210207 [0,0,0,1,0,0|2,0,1]=4 1329 B12R1.283 CCCN1CCSCC1C(=O)O 269956a_100011346106_100000210207 [0,0,0,1,0,0|2,0,1]=4 1330 B12R1.283 CCCN1CSCCC1C(=O)O 269956a_100015185162_100000210207 [0,0,0,1,0,0|2,0,1]=4 1331 B12R1.283 CCN[C@@H]1CC=CC[C@H]1C(=O)N 34a_100032748912_100000210202 [0,0,0,1,0,0|2,0,0]=3 1332 B12R1.283 CCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000210202 [0,0,0,1,0,0|1,0,2]=4 1333 B12R1.283 NC(=O)[C@@H]1CC=CC[C@H]1NCF 34a_100032748912_100015361967 [0,0,0,1,0,0|3,0,0]=4 1334 B12R1.386 CCCCC1C=CCN1C(=O)C 11a_100015184376_100015343762 [0,0,0,1,0,0|2,0,0]=3 1335 B12R1.386 CCCCC1C=CCN1C(=O)C 1626a_100015184376_100015343762 [0,0,0,1,0,0|2,0,0]=3 1336 B12R1.386 CCCCC1C=CCN1C(=O)C 240690a_100015184376_100015343762 [0,0,0,1,0,0|2,0,0]=3 1337 B12R1.386 CCCCC1C=CCN1C(=O)C 527a_100015184376_100103153847 [0,0,0,1,0,0|2,0,0]=3 1338 B12R1.386 CCCCN1CC=C[C@H]1C(=O)O 269956a_100000057196_100000210211 [0,0,0,1,0,0|1,0,2]=4 1339 B12R1.386 CCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210211 [0,0,0,1,0,0|1,0,2]=4 1340 B12R1.386 CCCCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000210211 [0,0,0,1,0,0|2,0,1]=4 1341 B12R1.390 CC(=O)CCCNCCC1CC1 34a_100000764129_100000685027 [0,0,0,1,0,0|2,0,1]=4 1342 B12R1.390 CC(=O)CCCOCCC1CC1 34a_100000754188_100000685027 [0,0,0,1,0,0|2,0,1]=4 1343 B12R1.390 CC(=O)CCCOCCC1CC1 34a_100000759063_100000694398 [0,0,0,1,0,0|2,0,1]=4 1344 B12R1.390 CC(=O)CCCOCCC1CC1 7a_100000754188_100011215641 [0,0,0,1,0,0|2,0,1]=4 1345 B12R1.390 CC(=O)CCCOCCC1CC1 7a_100000759063_100000764125 [0,0,0,1,0,0|2,0,1]=4 1346 B12R1.390 CC(=O)CCCSCCC1CC1 62a_100000764125_100011215641 [0,0,0,1,0,0|2,0,1]=4 1347 B12R1.390 CC(=O)CCCSCCC1CC1 62a_100011215641_100000764125 [0,0,0,1,0,0|2,0,1]=4 1348 B12R1.390 NC(=O)CCCNCCC1CC1 34a_100000739312_100000694398 [0,0,0,1,0,0|2,0,1]=4 1349 B12R1.390 NC(=O)CCCNCCC1CC1 34a_100000764129_100102525003 [0,0,0,1,0,0|2,0,1]=4 1350 B12R1.390 NC(=O)CCCOCCC1CC1 34a_100000754188_100102525003 [0,0,0,1,0,0|2,0,1]=4 1351 B12R1.390 NC(=O)CCCOCCC1CC1 7a_100000754188_100102525003 [0,0,0,1,0,0|2,0,1]=4 1352 B12R1.390 NC(=O)CCCSCCC1CC1 62a_100000764125_100102525003 [0,0,0,1,0,0|2,0,1]=4 1353 B12R1.390 NC(=O)CCCSCCC1CC1 62a_100102525003_100000764125 [0,0,0,1,0,0|2,0,1]=4 1354 B12R1.405 CCN1CCCCCC1C(=O)O 269956a_100000758484_100000210202 [0,0,0,1,0,0|1,0,2]=4 1355 B12R1.522 CCCCCN1CCC1C(=O)O 269956a_100000021838_100000210326 [0,0,0,1,0,0|1,0,1]=3 1356 B12R1.522 CCOCCN1CCC1C(=O)O 269956a_100000021838_100000210147 [0,0,0,1,0,0|2,0,1]=4 1357 B12R1.522 CCSCCN1CCC1C(=O)O 269956a_100000021838_100000757381 [0,0,0,1,0,0|2,0,1]=4 1358 B12R1.522 COCCCN1CCC1C(=O)O 269956a_100000021838_100000740836 [0,0,0,1,0,0|2,0,1]=4 1359 B12R1.522 O=C(O)C1CCN1CCCCF 269956a_100000021838_100000729493 [0,0,0,1,0,0|2,0,1]=4 1360 B12R1.522 O=C(O)C1CCN1CCCCO 269956a_100000021838_100000210776 [0,0,0,1,0,0|2,0,1]=4 1361 B12R1.1343 CC(=O)CCN1CCCCCC1 1458a_100000070787_100000722644 [0,0,0,1,0,0|2,0,1]=4 1362 B12R1.1343 CC(=O)CCN1CCCCCC1 1458a_100000740320_200000210301 [0,0,0,1,0,0|2,0,1]=4 1363 B12R1.1343 CC(=O)CCN1CCCCCC1 269982a_100000185865_100000053229 [0,0,0,1,0,0|2,0,1]=4 1364 B12R1.1343 CC(=O)CNC1=NCCCCC1 1458a_100000016077_200000210301 [0,0,0,1,0,0|3,0,0]=4 1365 B12R1.1343 NC(=O)CCN1CCCCCC1 2230a_100000185865_100000744528 [0,0,0,1,0,0|2,0,1]=4 1366 B12R1.1343 NC(=O)CCN1CCCCCC1 269982a_100000185865_100000744528 [0,0,0,1,0,0|2,0,1]=4 1367 B12R1.1343 NC(=O)CCN1CCCCCC1 34a_100000185865_100000731001 [0,0,0,1,0,0|2,0,1]=4 1368 B12R1.1343 O=C(O)CNC1CCCCCC1 269956a_100016091260_100011217769 [0,0,0,1,0,0|1,0,2]=4 1369 B12R1.1343 [13CH3]C(=O)CCN1CCCCCC1 1458a_100000740320_200025704644 [0,0,0,1,0,0|2,0,1]=4 1370 B12R1.1343 [13CH3]C(=O)CNC1=NCCCCC1 1458a_100000016077_200025704644 [0,0,0,1,0,0|3,0,0]=4 1371 B9R0.2 CC(=O)CCCCCCF 1458a_100000070787_100015922095 [2,0,0,0,0,0|2,0,0]=4 1372 B9R0.2 CC(=O)CCCCCCO 1458a_100000070787_100000766143 [2,0,0,0,0,0|2,0,0]=4 1373 B9R0.2 CC(=O)CCCCCCO 1458a_100011996774_200000210301 [2,0,0,0,0,0|2,0,0]=4 1374 B9R0.2 CCCC/C=C/CC(=O)C 1458a_200016282684_200000210301 [2,0,0,0,0,0|1,0,0]=3 1375 B9R0.2 CCCC/C=C/CC(=O)[13CH3] 1458a_200016282684_200025704644 [2,0,0,0,0,0|1,0,0]=3 1376 B9R0.2 CCCCCC=CC(=O)C 1458a_100016263427_200000210301 [2,0,0,0,0,0|1,0,0]=3 1377 B9R0.2 CCCCCC=CC(=O)[13CH3] 1458a_100016263427_200025704644 [2,0,0,0,0,0|1,0,0]=3 1378 B9R0.2 CCCCCCCC(=O)C 1458a_100000070787_100000210614 [2,0,0,0,0,0|1,0,0]=3 1379 B9R0.2 CCCCCCCC(=O)C 1458a_100000211969_200000210301 [2,0,0,0,0,0|1,0,0]=3 1380 B9R0.2 CCCCCCCC(=O)[13CH3] 1458a_100000211969_200025704644 [2,0,0,0,0,0|1,0,0]=3 1381 B9R0.2 CCCCCCNC(=O)C 11a_100000210581_100015343762 [2,0,0,0,0,0|2,0,0]=4 1382 B9R0.2 CCCCCCNC(=O)C 1626a_100000210581_100015343762 [2,0,0,0,0,0|2,0,0]=4 1383 B9R0.2 CCCCCCNC(=O)C 240690a_100000210581_100015343762 [2,0,0,0,0,0|2,0,0]=4 1384 B9R0.2 CCCCCCNC(=O)C 527a_100000210581_100103153847 [2,0,0,0,0,0|2,0,0]=4 1385 B9R0.2 CCCCCNCC(=O)N 2230a_100000209983_100000747473 [2,0,0,0,0,0|2,0,0]=4 1386 B9R0.2 CCCCCNCC(=O)N 2230a_100000711301_100000210326 [2,0,0,0,0,0|2,0,0]=4 1387 B9R0.2 CCCCCNCC(=O)O 269956a_100016091260_100000210326 [2,0,0,0,0,0|1,0,0]=3 1388 B9R0.2 CCCCCOCC(=O)C 34a_100000211253_100000718602 [2,0,0,0,0,0|2,0,0]=4 1389 B9R0.2 CCCCCOCC(=O)N 34a_100000210253_100000187820 [2,0,0,0,0,0|2,0,0]=4 1390 B9R0.2 CCCCCOCC(=O)N 7a_100000210253_100000187820 [2,0,0,0,0,0|2,0,0]=4 1391 B9R0.2 CCCCCOCC(=O)[O-] 34a_100000210253_100020667443 [2,0,0,0,0,0|1,0,1]=4 1392 B9R0.2 CCCCCSCC(=O)N 62a_100000210326_100000747473 [2,0,0,0,0,0|2,0,0]=4 1393 B9R0.2 CCCCCSCC(=O)N 62a_100000747473_100000210326 [2,0,0,0,0,0|2,0,0]=4 1394 B9R0.2 CCCCCSCC(=O)[O-] 62a_100000210326_100020667443 [2,0,0,0,0,0|1,0,1]=4 1395 B9R0.2 CCCCCSCC(=O)[O-] 62a_100020667443_100000210326 [2,0,0,0,0,0|1,0,1]=4 1396 B9R0.2 CCCCNCCC(=O)C 7a_106832991798_100000053229 [2,0,0,0,0,0|2,0,0]=4 1397 B9R0.2 CCCCNCCC(=O)N 2230a_100000102301_100000744528 [2,0,0,0,0,0|2,0,0]=4 1398 B9R0.2 CCCCNCCC(=O)N 7a_106832991798_100000744528 [2,0,0,0,0,0|2,0,0]=4 1399 B9R0.2 CCCCNOCC(=O)O 269956a_100000106656_100000210211 [2,0,0,0,0,0|2,0,0]=4 1400 B9R0.2 CCCCOCCC(=O)C 1458a_100000070787_100000743108 [2,0,0,0,0,0|2,0,0]=4 1401 B9R0.2 CCCCOCCC(=O)C 34a_100000759926_100000210210 [2,0,0,0,0,0|2,0,0]=4 1402 B9R0.2 CCCCOCCC(=O)C 7a_100000210227_100000053229 [2,0,0,0,0,0|2,0,0]=4 1403 B9R0.2 CCCCOCCC(=O)C 7a_100000759926_100000210211 [2,0,0,0,0,0|2,0,0]=4 1404 B9R0.2 CCCCOCCC(=O)N 34a_100000210227_100000731001 [2,0,0,0,0,0|2,0,0]=4 1405 B9R0.2 CCCCOCCC(=O)N 34a_100000757172_100000210210 [2,0,0,0,0,0|2,0,0]=4 1406 B9R0.2 CCCCOCCC(=O)N 7a_100000210227_100000744528 [2,0,0,0,0,0|2,0,0]=4 1407 B9R0.2 CCCCOCCC(=O)N 7a_100000757172_100000210211 [2,0,0,0,0,0|2,0,0]=4 1408 B9R0.2 CCCCSCCC(=O)C 62a_100000053229_100000210210 [2,0,0,0,0,0|2,0,0]=4 1409 B9R0.2 CCCCSCCC(=O)C 62a_100000210211_100000053229 [2,0,0,0,0,0|2,0,0]=4 1410 B9R0.2 CCCCSCCC(=O)N 62a_100000210211_100000744528 [2,0,0,0,0,0|2,0,0]=4 1411 B9R0.2 CCCCSCCC(=O)N 62a_100000744528_100000210210 [2,0,0,0,0,0|2,0,0]=4 1412 B9R0.2 CCCNCCCC(=O)N 34a_100000739312_100000210303 [2,0,0,0,0,0|2,0,0]=4 1413 B9R0.2 CCCOCCCC(=O)C 34a_100000210258_100000685027 [2,0,0,0,0,0|2,0,0]=4 1414 B9R0.2 CCCOCCCC(=O)C 34a_100000759063_100000210303 [2,0,0,0,0,0|2,0,0]=4 1415 B9R0.2 CCCOCCCC(=O)C 7a_100000759063_100000210303 [2,0,0,0,0,0|2,0,0]=4 1416 B9R0.2 CCCOCCCC(=O)N 34a_100000210258_100102525003 [2,0,0,0,0,0|2,0,0]=4 1417 B9R0.2 CCCSCCCC(=O)C 62a_100000210303_100011215641 [2,0,0,0,0,0|2,0,0]=4 1418 B9R0.2 CCCSCCCC(=O)C 62a_100011215641_100000210303 [2,0,0,0,0,0|2,0,0]=4 1419 B9R0.2 CCCSCCCC(=O)N 62a_100000210303_100102525003 [2,0,0,0,0,0|2,0,0]=4 1420 B9R0.2 CCCSCCCC(=O)N 62a_100102525003_100000210303 [2,0,0,0,0,0|2,0,0]=4 1421 B9R0.2 CCNCCCCC(=O)N 34a_100000696515_100000210202 [2,0,0,0,0,0|2,0,0]=4 1422 B9R0.2 CCNCCOCC(=O)O 269956a_100000700818_100000210202 [2,0,0,0,0,0|2,0,0]=4 1423 B9R0.2 CCOCCCCC(=O)C 34a_100121572206_100009817362 [2,0,0,0,0,0|2,0,0]=4 1424 B9R0.2 CCOCCCCC(=O)N 34a_100012022536_100000210202 [2,0,0,0,0,0|2,0,0]=4 1425 B9R0.2 CCOCCCCC(=O)N 7a_100012022536_100000210202 [2,0,0,0,0,0|2,0,0]=4 1426 B9R0.2 CCOCCNCC(=O)O 269956a_100016091260_100000210147 [2,0,0,0,0,0|2,0,0]=4 1427 B9R0.2 CCSCCCCC(=O)C 62a_100000210202_100000735457 [2,0,0,0,0,0|2,0,0]=4 1428 B9R0.2 CCSCCCCC(=O)C 62a_100000735457_100000210202 [2,0,0,0,0,0|2,0,0]=4 1429 B9R0.2 CCSCCNCC(=O)O 269956a_100016091260_100000757381 [2,0,0,0,0,0|2,0,0]=4 1430 B9R0.2 CNCCCCCC(=O)N 2230a_106832991635_100009817443 [2,0,0,0,0,0|2,0,0]=4 1431 B9R0.2 CNCCCCCC(=O)N 34a_100102657272_100009817443 [2,0,0,0,0,0|2,0,0]=4 1432 B9R0.2 CNCCCCCC(=O)N 7a_106832991635_100009817443 [2,0,0,0,0,0|2,0,0]=4 1433 B9R0.2 COCCCCCC(=O)C 1458a_100011935119_200000210301 [2,0,0,0,0,0|2,0,0]=4 1434 B9R0.2 COCCCCCC(=O)N 34a_100000123541_200000210301 [2,0,0,0,0,0|2,0,0]=4 1435 B9R0.2 COCCCCCC(=O)N 34a_100138415774_100009817443 [2,0,0,0,0,0|2,0,0]=4 1436 B9R0.2 COCCCCCC(=O)N 7a_100000123541_200000210301 [2,0,0,0,0,0|2,0,0]=4 1437 B9R0.2 COCCCCCC(=O)[13CH3] 1458a_100011935119_200025704644 [2,0,0,0,0,0|2,0,0]=4 1438 B9R0.2 COCCCCCC(=O)[O-] 7a_100102619762_200000210301 [2,0,0,0,0,0|1,0,1]=4 1439 B9R0.2 COCCCNCC(=O)O 269956a_100016091260_100000740836 [2,0,0,0,0,0|2,0,0]=4 1440 B9R0.2 CSCCCCCC(=O)N 62a_100009817443_200000210301 [2,0,0,0,0,0|2,0,0]=4 1441 B9R0.2 CSCCCCCC(=O)N 62a_200000210301_100009817443 [2,0,0,0,0,0|2,0,0]=4 1442 B9R0.2 O=C(O)CNCCCCF 269956a_100016091260_100000729493 [2,0,0,0,0,0|2,0,0]=4 1443 B9R0.2 O=C(O)CNCCCCO 269956a_100016091260_100000210776 [2,0,0,0,0,0|2,0,0]=4 1444 B9R0.2 [13CH3]C(=O)CCCCCCO 1458a_100011996774_200025704644 [2,0,0,0,0,0|2,0,0]=4 1445 B9R0.2 [13CH3]OCCCCCC(=O)N 34a_100000123541_200025704644 [2,0,0,0,0,0|2,0,0]=4 1446 B9R0.2 [13CH3]OCCCCCC(=O)N 7a_100000123541_200025704644 [2,0,0,0,0,0|2,0,0]=4 1447 B9R0.2 [13CH3]OCCCCCC(=O)[O-] 7a_100102619762_200025704644 [2,0,0,0,0,0|1,0,1]=4 1448 B9R0.2 [13CH3]SCCCCCC(=O)N 62a_100009817443_200025704644 [2,0,0,0,0,0|2,0,0]=4 1449 B9R0.2 [13CH3]SCCCCCC(=O)N 62a_200025704644_100009817443 [2,0,0,0,0,0|2,0,0]=4 1450 B9R0.45 C=CCCNCCCCC 2230a_100000209983_100000754431 [2,0,0,0,0,0|2,0,0]=4 1451 B9R0.45 C=CCCNCCCCC 2230a_100015191253_100000210326 [2,0,0,0,0,0|2,0,0]=4 1452 B9R0.45 C=CCCOCCCCC 34a_100000210253_100000754431 [2,0,0,0,0,0|2,0,0]=4 1453 B9R0.45 C=CCCOCCCCC 34a_100011205117_100000718602 [2,0,0,0,0,0|2,0,0]=4 1454 B9R0.45 C=CCCOCCCCC 7a_100000210253_100000754431 [2,0,0,0,0,0|2,0,0]=4 1455 B9R0.45 C=CCCSCCCCC 62a_100000210326_100000754431 [2,0,0,0,0,0|2,0,0]=4 1456 B9R0.45 C=CCCSCCCCC 62a_100000754431_100000210326 [2,0,0,0,0,0|2,0,0]=4 1457 B9R0.45 CCC/C=C/COCCC 34a_100016278788_100000210303 [2,0,0,0,0,0|1,0,1]=4 1458 B9R0.45 CCC/C=C/COCCC 7a_100016278788_100000210303 [2,0,0,0,0,0|1,0,1]=4 1459 B9R0.45 CCCC/C=C\CCOC 34a_200016286491_200000210301 [2,0,0,0,0,0|2,0,0]=4 1460 B9R0.45 CCCC/C=C\CCOC 7a_200016286491_200000210301 [2,0,0,0,0,0|2,0,0]=4 1461 B9R0.45 CCCC/C=C\CCO[13CH3] 34a_200016286491_200025704644 [2,0,0,0,0,0|2,0,0]=4 1462 B9R0.45 CCCC/C=C\CCO[13CH3] 7a_200016286491_200025704644 [2,0,0,0,0,0|2,0,0]=4 1463 B9R0.45 CCCCC/C=C/COC 34a_100016258190_200000210301 [2,0,0,0,0,0|1,0,1]=4 1464 B9R0.45 CCCCC/C=C/COC 7a_100016258190_200000210301 [2,0,0,0,0,0|1,0,1]=4 1465 B9R0.45 CCCCC/C=C/CO[13CH3] 34a_100016258190_200025704644 [2,0,0,0,0,0|1,0,1]=4 1466 B9R0.45 CCCCC/C=C/CO[13CH3] 7a_100016258190_200025704644 [2,0,0,0,0,0|1,0,1]=4 1467 B9R0.45 CCCCCCNCC=O 2230a_100000210581_200015260668 [2,0,0,0,0,0|1,0,1]=4 1468 B9R0.45 CCCCCCNCCO 2230a_100000210581_100000211926 [2,0,0,0,0,0|1,0,1]=4 1469 B9R0.45 CCCCCCNCCO 2230a_100016997473_100000210314 [2,0,0,0,0,0|1,0,1]=4 1470 B9R0.45 CCCCCCNCCO 34a_100016990907_100000210314 [2,0,0,0,0,0|1,0,1]=4 1471 B9R0.45 CCCCCCOCC=O 34a_100000210259_200009817547 [2,0,0,0,0,0|1,0,1]=4 1472 B9R0.45 CCCCCCOCC=O 7a_100000210259_200015260668 [2,0,0,0,0,0|1,0,1]=4 1473 B9R0.45 CCCCCCOCCO 34a_100000210259_100000211926 [2,0,0,0,0,0|1,0,1]=4 1474 B9R0.45 CCCCCCOCCO 7a_100000210259_100000211926 [2,0,0,0,0,0|1,0,1]=4 1475 B9R0.45 CCCCCCSCC=O 62a_100000210314_200015260668 [2,0,0,0,0,0|1,0,1]=4 1476 B9R0.45 CCCCCCSCC=O 62a_200015260668_100000210757 [2,0,0,0,0,0|1,0,1]=4 1477 B9R0.45 CCCCCCSCCO 62a_100000210314_100000211926 [2,0,0,0,0,0|1,0,1]=4 1478 B9R0.45 CCCCCCSCCO 62a_100000211926_100000210757 [2,0,0,0,0,0|1,0,1]=4 1479 B9R0.45 CCCCCNCCCO 2230a_100000209983_100000230001 [2,0,0,0,0,0|1,0,1]=4 1480 B9R0.45 CCCCCOCCCO 34a_100000210253_100000230001 [2,0,0,0,0,0|1,0,1]=4 1481 B9R0.45 CCCCCOCCCO 7a_100000210253_100011215043 [2,0,0,0,0,0|1,0,1]=4 1482 B9R0.45 CCCCCSCCCO 62a_100000210326_100011215043 [2,0,0,0,0,0|1,0,1]=4 1483 B9R0.45 CCCCCSCCCO 62a_100011215043_100000210326 [2,0,0,0,0,0|1,0,1]=4 1484 B9R0.45 CCCCNCCCC=O 2230a_100000102301_200011292268 [2,0,0,0,0,0|1,0,1]=4 1485 B9R0.45 CCCCNCCCC=O 7a_106832991798_200011292268 [2,0,0,0,0,0|1,0,1]=4 1486 B9R0.45 CCCCOCCCC=O 7a_100000210227_200011292268 [2,0,0,0,0,0|1,0,1]=4 1487 B9R0.45 CCCCSCCCC=O 62a_100000210211_200011292268 [2,0,0,0,0,0|1,0,1]=4 1488 B9R0.45 CCCCSCCCC=O 62a_200011292268_100000210210 [2,0,0,0,0,0|1,0,1]=4 1489 B9R0.45 CCCSCCCCC=O 62a_100000139335_100000210303 [2,0,0,0,0,0|1,0,1]=4 1490 B9R0.45 CCCSCCCCC=O 62a_100000210303_100000139335 [2,0,0,0,0,0|1,0,1]=4 1491 B9R0.45 CCNCCCCCC=O 2230a_100015525214_100000139337 [2,0,0,0,0,0|1,0,1]=4 1492 B9R0.45 CCSCCCCCC=O 62a_100000139337_100000210202 [2,0,0,0,0,0|1,0,1]=4 1493 B9R0.45 CCSCCCCCC=O 62a_100000210202_100000139337 [2,0,0,0,0,0|1,0,1]=4 1494 B11R0.2 CCCCC=CC(=O)CC(=O)N 1458a_100016266645_100000187820 [1,1,0,0,0,0|1,0,1]=4 1495 B11R0.2 CCCCC=CC(=O)CC(=O)[O-] 1458a_100016266645_100020667443 [1,1,0,0,0,0|0,0,2]=4 1496 B11R0.2 CCCCCCC(=O)CC(=O)N 1458a_100102632555_100000187820 [1,1,0,0,0,0|1,0,1]=4 1497 B11R0.2 CCCCCCC(=O)CC(=O)N 1458a_100134613110_100000210757 [1,1,0,0,0,0|1,0,1]=4 1498 B11R0.2 CCCCCCC(=O)CC(=O)[O-] 1458a_100102632555_100020667443 [1,1,0,0,0,0|0,0,2]=4 1499 B11R0.2 CCCCCCN(C)CC(=O)O 269956a_100000746989_100000210757 [1,1,0,0,0,0|1,0,1]=4 1500 B11R0.2 CCCCCNC(=O)CC(=O)C 1458a_100000070787_100000230301 [1,1,0,0,0,0|2,0,0]=4 1501 B11R0.2 CCCCCNC(=O)CC(=O)N 240690a_100000209983_100134613110 [1,1,0,0,0,0|2,0,0]=4 1502 B11R0.2 CCCCCNC(=O)CC(=O)N 527a_100000209983_100134613110 [1,1,0,0,0,0|2,0,0]=4 1503 B11R0.2 CCCCNCC(O)CC(=O)O 269956a_100011218706_100000210211 [1,1,0,0,0,0|1,0,1]=4 1504 B11R0.30 CC(=O)CCCCCCC(C)C 1458a_100000040743_200000210301 [1,1,0,0,0,0|1,0,1]=4 1505 B11R0.30 CC(=O)CCOCCCC(C)C 34a_100000759926_100011214892 [1,1,0,0,0,0|2,0,0]=4 1506 B11R0.30 CC(=O)CCOCCCC(C)C 7a_100000210774_100000053229 [1,1,0,0,0,0|2,0,0]=4 1507 B11R0.30 CC(=O)CCOCCCC(C)C 7a_100000759926_100011214892 [1,1,0,0,0,0|2,0,0]=4 1508 B11R0.30 CC(=O)CCOCCCC(C)O 34a_100000759926_200000718107 [1,1,0,0,0,0|2,0,0]=4 1509 B11R0.30 CC(=O)CCOCCCC(C)O 7a_100000759926_200000718107 [1,1,0,0,0,0|2,0,0]=4 1510 B11R0.30 CC(=O)CCSCCCC(C)C 62a_100000053229_100011214892 [1,1,0,0,0,0|2,0,0]=4 1511 B11R0.30 CC(=O)CCSCCCC(C)C 62a_100011214892_100000053229 [1,1,0,0,0,0|2,0,0]=4 1512 B11R0.30 CC(=O)CCSCCCC(C)O 62a_100000053229_200000718107 [1,1,0,0,0,0|2,0,0]=4 1513 B11R0.30 CC(=O)CCSCCCC(C)O 62a_200000718107_100000053229 [1,1,0,0,0,0|2,0,0]=4 1514 B11R0.30 CC(C)CCCCCCC(=O)[13CH3] 1458a_100000040743_200025704644 [1,1,0,0,0,0|1,0,1]=4 1515 B11R0.30 CC(C)CCCCNCC(=O)O 269956a_100016091260_100011216152 [1,1,0,0,0,0|1,0,1]=4 1516 B11R0.30 CC(C)CCCNCCC(=O)N 2230a_200000737386_100000744528 [1,1,0,0,0,0|2,0,0]=4 1517 B11R0.30 CC(C)CCCNCCC(=O)N 34a_200000737386_100000731001 [1,1,0,0,0,0|2,0,0]=4 1518 B11R0.30 CC(C)CCCNOCC(=O)O 269956a_100000106656_100011214892 [1,1,0,0,0,0|2,0,0]=4 1519 B11R0.30 CC(C)CCCOCCC(=O)N 34a_100000210774_100000731001 [1,1,0,0,0,0|2,0,0]=4 1520 B11R0.30 CC(C)CCCOCCC(=O)N 34a_100000757172_100011214892 [1,1,0,0,0,0|2,0,0]=4 1521 B11R0.30 CC(C)CCCOCCC(=O)N 7a_100000210774_100000744528 [1,1,0,0,0,0|2,0,0]=4 1522 B11R0.30 CC(C)CCCOCCC(=O)N 7a_100000757172_100011214892 [1,1,0,0,0,0|2,0,0]=4 1523 B11R0.30 CC(C)CCCSCCC(=O)N 62a_100000744528_100011214892 [1,1,0,0,0,0|2,0,0]=4 1524 B11R0.30 CC(C)CCCSCCC(=O)N 62a_100011214892_100000744528 [1,1,0,0,0,0|2,0,0]=4 1525 B11R0.30 CC(O)CCCNOCC(=O)O 269956a_100000106656_200000718107 [1,1,0,0,0,0|2,0,0]=4 1526 B11R0.30 CC(O)CCCOCCC(=O)N 34a_100000757172_200000718107 [1,1,0,0,0,0|2,0,0]=4 1527 B11R0.30 CC(O)CCCOCCC(=O)N 7a_100000757172_200000718107 [1,1,0,0,0,0|2,0,0]=4 1528 B11R0.30 CC(O)CCCSCCC(=O)N 62a_100000744528_200000718107 [1,1,0,0,0,0|2,0,0]=4 1529 B11R0.30 CC(O)CCCSCCC(=O)N 62a_200000718107_100000744528 [1,1,0,0,0,0|2,0,0]=4 1530 B11R0.40 C#CC(=O)CCCCCCCC 1458a_100000211873_100000210759 [1,1,0,0,0,0|1,0,1]=4 1531 B11R0.40 C=CC(=O)CCCCCCCC 1458a_100000185746_100000210759 [1,1,0,0,0,0|1,0,1]=4 1532 B11R0.40 CCCCC/C=C/CC(=O)CC 1458a_100020675968_100000210202 [1,1,0,0,0,0|1,0,0]=3 1533 B11R0.40 CCCCC/C=C/CC(=O)CF 1458a_100020675968_100015361967 [1,1,0,0,0,0|1,0,0]=3 1534 B11R0.40 CCCCC/C=C/CC(=O)NC 11a_106832991635_100020675968 [1,1,0,0,0,0|1,0,0]=3 1535 B11R0.40 CCCCC/C=C/CC(=O)NC 1626a_100102657272_100020675968 [1,1,0,0,0,0|1,0,0]=3 1536 B11R0.40 CCCCC/C=C/CC(=O)NC 240690a_100102657272_100020675968 [1,1,0,0,0,0|1,0,0]=3 1537 B11R0.40 CCCCCC#CCC(=O)CO 1458a_100000210174_100009816472 [1,1,0,0,0,0|0,0,2]=4 1538 B11R0.40 CCCCCCCCC(=O)CC 1458a_100000210188_100000210202 [1,1,0,0,0,0|1,0,1]=4 1539 B11R0.40 CCCCCCCCC(=O)CC 1458a_100000210414_100000210759 [1,1,0,0,0,0|1,0,1]=4 1540 B11R0.40 CCCCCCCCC(=O)CF 1458a_100000210188_100015361967 [1,1,0,0,0,0|1,0,1]=4 1541 B11R0.40 CCCCCCCCC(=O)CO 1458a_100000210174_100000210759 [1,1,0,0,0,0|0,0,1]=3 1542 B11R0.40 CCCCCCCCC(=O)NC 11a_106832991635_100000210188 [1,1,0,0,0,0|1,0,1]=4 1543 B11R0.40 CCCCCCCCC(=O)NC 1626a_100102657272_100000210188 [1,1,0,0,0,0|1,0,1]=4 1544 B11R0.40 CCCCCCCCC(=O)NC 240690a_100102657272_100000210188 [1,1,0,0,0,0|1,0,1]=4 1545 B11R0.40 CCCCCCCCC(=O)NC 527a_100102657272_100000210188 [1,1,0,0,0,0|1,0,1]=4 1546 B11R0.40 CCCCCCCNC(=O)CO 240690a_100000229938_100000210174 [1,1,0,0,0,0|1,0,1]=4 1547 B11R0.40 CCCCCCCNC(=O)CO 527a_100000229938_100000210174 [1,1,0,0,0,0|1,0,1]=4 1548 B11R0.40 CCCCCCNCC(=O)OC 2230a_100000210581_100000747449 [1,1,0,0,0,0|1,0,1]=4 1549 B11R0.40 CCCCCCOCC(=O)OC 34a_100000210259_100000747449 [1,1,0,0,0,0|1,0,1]=4 1550 B11R0.40 CCCCCCOCC(=O)OC 7a_100000210259_100000747449 [1,1,0,0,0,0|1,0,1]=4 1551 B11R0.40 CCCCCCSCC(=O)OC 62a_100000210314_100000747449 [1,1,0,0,0,0|1,0,1]=4 1552 B11R0.40 CCCCCCSCC(=O)OC 62a_100000747449_100000210757 [1,1,0,0,0,0|1,0,1]=4 1553 B11R0.40 CCCCCNCCC(=O)NC 2230a_100000209983_100000737683 [1,1,0,0,0,0|2,0,0]=4 1554 B11R0.40 CCCCCNCCC(=O)NC 2230a_100000738227_100000210326 [1,1,0,0,0,0|2,0,0]=4 1555 B11R0.40 CCCCCNCCC(=O)NC 34a_100000738227_100000718602 [1,1,0,0,0,0|2,0,0]=4 1556 B11R0.40 CCCCCNCCC(=O)OC 2230a_100000209983_100000204255 [1,1,0,0,0,0|1,0,0]=3 1557 B11R0.40 CCCCCOCCC(=NO)N 34a_100000749954_100000718602 [1,1,0,0,0,0|2,0,0]=4 1558 B11R0.40 CCCCCOCCC(=O)NC 34a_100000210253_100012179268 [1,1,0,0,0,0|2,0,0]=4 1559 B11R0.40 CCCCCOCCC(=O)NC 34a_100000754576_100000718602 [1,1,0,0,0,0|2,0,0]=4 1560 B11R0.40 CCCCCOCCC(=O)NC 7a_100000210253_100000737683 [1,1,0,0,0,0|2,0,0]=4 1561 B11R0.40 CCCCCOCCC(=O)OC 34a_100000210253_100000742370 [1,1,0,0,0,0|1,0,0]=3 1562 B11R0.40 CCCCCOCCC(=O)OC 7a_100000210253_100000204255 [1,1,0,0,0,0|1,0,0]=3 1563 B11R0.40 CCCCCSCCC(=O)NC 62a_100000210326_100000737683 [1,1,0,0,0,0|2,0,0]=4 1564 B11R0.40 CCCCCSCCC(=O)NC 62a_100000737683_100000210326 [1,1,0,0,0,0|2,0,0]=4 1565 B11R0.40 CCCCCSCCC(=O)OC 62a_100000204255_100000210326 [1,1,0,0,0,0|1,0,0]=3 1566 B11R0.40 CCCCCSCCC(=O)OC 62a_100000210326_100000204255 [1,1,0,0,0,0|1,0,0]=3 1567 B11R0.40 CCCCCSCOC(=O)OC 62a_100000210326_100000139417 [1,1,0,0,0,0|2,0,0]=4 1568 B11R0.40 CCCCNCCCC(=O)OC 2230a_100000102301_100011218270 [1,1,0,0,0,0|1,0,1]=4 1569 B11R0.40 CCCCNCCCC(=O)OC 7a_106832991798_100011218270 [1,1,0,0,0,0|1,0,1]=4 1570 B11R0.40 CCCCNN=CCC(=O)OC 4a_100025702795_200011552997 [1,1,0,0,0,0|2,0,0]=4 1571 B11R0.40 CCCCOCCCC(=O)OC 34a_100000210227_100000742333 [1,1,0,0,0,0|1,0,1]=4 1572 B11R0.40 CCCCOCCCC(=O)OC 7a_100000210227_100011218270 [1,1,0,0,0,0|1,0,1]=4 1573 B11R0.40 CCCCSCCCC(=O)OC 62a_100000210211_100011218270 [1,1,0,0,0,0|1,0,1]=4 1574 B11R0.40 CCCCSCCCC(=O)OC 62a_100011218270_100000210210 [1,1,0,0,0,0|1,0,1]=4 1575 B11R0.40 CCCNN=CCCC(=O)OC 4a_100000740057_100012047195 [1,1,0,0,0,0|2,0,0]=4 1576 B11R0.40 CCCOCCCCC(=O)OC 34a_100000059025_100000210303 [1,1,0,0,0,0|1,0,1]=4 1577 B11R0.40 CCCOCCCCC(=O)OC 34a_100000210258_100000204269 [1,1,0,0,0,0|1,0,1]=4 1578 B11R0.40 CCCOCCCCC(=O)OC 7a_100000059025_100000210303 [1,1,0,0,0,0|1,0,1]=4 1579 B11R0.40 CCCSCCCCC(=O)OC 62a_100000204269_100000210303 [1,1,0,0,0,0|1,0,1]=4 1580 B11R0.40 CCCSCCCCC(=O)OC 62a_100000210303_100000204269 [1,1,0,0,0,0|1,0,1]=4 1581 B11R0.40 CCNCCCCCC(=O)OC 2230a_100015525214_100009816466 [1,1,0,0,0,0|1,0,1]=4 1582 B11R0.40 CCOCCCCCC(=O)OC 34a_100000074720_100000210202 [1,1,0,0,0,0|1,0,1]=4 1583 B11R0.40 CCOCCCCCC(=O)OC 34a_100121572206_100009816466 [1,1,0,0,0,0|1,0,1]=4 1584 B11R0.40 CCOCCCCCC(=O)OC 7a_100000074720_100000210202 [1,1,0,0,0,0|1,0,1]=4 1585 B11R0.40 CCOCCNCCC(=O)OC 2230a_102516460346_100000204255 [1,1,0,0,0,0|2,0,0]=4 1586 B11R0.40 CCOCCNCCC(=O)OC 34a_102516460346_100000742370 [1,1,0,0,0,0|2,0,0]=4 1587 B11R0.40 CCOCCOCCC(=O)CO 1458a_100000210174_100011211534 [1,1,0,0,0,0|2,0,0]=4 1588 B11R0.40 CCOCCOCCC(=O)OC 34a_100000210136_100000742370 [1,1,0,0,0,0|2,0,0]=4 1589 B11R0.40 CCOCCOCCC(=O)OC 7a_100000210136_100000204255 [1,1,0,0,0,0|2,0,0]=4 1590 B11R0.40 CCOCCSCCC(=O)OC 62a_100000204255_100011215890 [1,1,0,0,0,0|2,0,0]=4 1591 B11R0.40 CCOCCSCCC(=O)OC 62a_100000210147_100000204255 [1,1,0,0,0,0|2,0,0]=4 1592 B11R0.40 CCSCCCCCC(=O)OC 62a_100000210202_100009816466 [1,1,0,0,0,0|1,0,1]=4 1593 B11R0.40 CCSCCCCCC(=O)OC 62a_100009816466_100000210202 [1,1,0,0,0,0|1,0,1]=4 1594 B11R0.40 CCSCCNCCC(=O)OC 2230a_100000106463_100000204255 [1,1,0,0,0,0|2,0,0]=4 1595 B11R0.40 CCSCCOCCC(=O)OC 34a_100000212035_100000742370 [1,1,0,0,0,0|2,0,0]=4 1596 B11R0.40 CCSCCOCCC(=O)OC 7a_100000212035_100000204255 [1,1,0,0,0,0|2,0,0]=4 1597 B11R0.40 CCSCCSCCC(=O)OC 62a_100000204255_100000757381 [1,1,0,0,0,0|2,0,0]=4 1598 B11R0.40 CCSCCSCCC(=O)OC 62a_100000757381_100000204255 [1,1,0,0,0,0|2,0,0]=4 1599 B11R0.40 CNCCCCCCC(=O)OC 2230a_106832991635_100009815986 [1,1,0,0,0,0|1,0,1]=4 1600 B11R0.40 CNCCCCCCC(=O)OC 34a_100102657272_100009815986 [1,1,0,0,0,0|1,0,1]=4 1601 B11R0.40 CNCCCCCCC(=O)OC 7a_106832991635_100009815986 [1,1,0,0,0,0|1,0,1]=4 1602 B11R0.40 CNCCCOCCC(=O)OC 34a_100000213112_100000742370 [1,1,0,0,0,0|2,0,0]=4 1603 B11R0.40 COC(=O)CCCCCCO[13CH3] 34a_100009863599_200025704644 [1,1,0,0,0,0|1,0,1]=4 1604 B11R0.40 COC(=O)CCCCCCO[13CH3] 7a_100009863599_200025704644 [1,1,0,0,0,0|1,0,1]=4 1605 B11R0.40 COC(=O)CCCCCCSC 62a_100009815986_200000210301 [1,1,0,0,0,0|1,0,1]=4 1606 B11R0.40 COC(=O)CCCCCCSC 62a_200000210301_100009815986 [1,1,0,0,0,0|1,0,1]=4 1607 B11R0.40 COC(=O)CCCCCCS[13CH3] 62a_100009815986_200025704644 [1,1,0,0,0,0|1,0,1]=4 1608 B11R0.40 COC(=O)CCCCCCS[13CH3] 62a_200025704644_100009815986 [1,1,0,0,0,0|1,0,1]=4 1609 B11R0.40 COC(=O)CCNCCCCO 2230a_100000750430_100000204255 [1,1,0,0,0,0|2,0,0]=4 1610 B11R0.40 COC(=O)CCNCCCCO 34a_100000750430_100000742370 [1,1,0,0,0,0|2,0,0]=4 1611 B11R0.40 COC(=O)CCNCCCSC 2230a_100000749238_100000204255 [1,1,0,0,0,0|2,0,0]=4 1612 B11R0.40 COC(=O)CCOCCCCBr 34a_100011216708_100000742370 [1,1,0,0,0,0|2,0,0]=4 1613 B11R0.40 COC(=O)CCOCCCCCl 34a_100000210776_100000742370 [1,1,0,0,0,0|2,0,0]=4 1614 B11R0.40 COC(=O)CCOCCCCCl 7a_100000210776_100000204255 [1,1,0,0,0,0|2,0,0]=4 1615 B11R0.40 COC(=O)CCOCCCCF 34a_100011995726_100000742370 [1,1,0,0,0,0|2,0,0]=4 1616 B11R0.40 COC(=O)CCOCCCCF 7a_100011995726_100000204255 [1,1,0,0,0,0|2,0,0]=4 1617 B11R0.40 COC(=O)CCOCCCCI 34a_200012148704_100000742370 [1,1,0,0,0,0|2,0,0]=4 1618 B11R0.40 COC(=O)CCOCCCCN 34a_100000750430_100000742370 [1,1,0,0,0,0|2,0,0]=4 1619 B11R0.40 COC(=O)CCOCCCSC 34a_100000690336_100000742370 [1,1,0,0,0,0|2,0,0]=4 1620 B11R0.40 COC(=O)CCOCCCSC 7a_100000690336_100000204255 [1,1,0,0,0,0|2,0,0]=4 1621 B11R0.40 COC(=O)CCSCCCCF 62a_100000204255_100000729493 [1,1,0,0,0,0|2,0,0]=4 1622 B11R0.40 COC(=O)CCSCCCCF 62a_100000729493_100000204255 [1,1,0,0,0,0|2,0,0]=4 1623 B11R0.40 COC(=O)CCSCCCCO 62a_100000204255_100000210776 [1,1,0,0,0,0|2,0,0]=4 1624 B11R0.40 COC(=O)CCSCCCCO 62a_100000210776_100000204255 [1,1,0,0,0,0|2,0,0]=4 1625 B11R0.40 COCCCCCCC(=O)CO 1458a_100000210174_100011998445 [1,1,0,0,0,0|1,0,1]=4 1626 B11R0.40 COCCCCCCC(=O)OC 34a_100009863599_200000210301 [1,1,0,0,0,0|1,0,1]=4 1627 B11R0.40 COCCCCCCC(=O)OC 34a_100138415774_100009815986 [1,1,0,0,0,0|1,0,1]=4 1628 B11R0.40 COCCCCCCC(=O)OC 7a_100009863599_200000210301 [1,1,0,0,0,0|1,0,1]=4 1629 B11R0.40 COCCCNCCC(=O)OC 34a_100150723488_100000742370 [1,1,0,0,0,0|2,0,0]=4 1630 B11R0.40 COCCCOCCC(=O)OC 34a_100000740835_100000742370 [1,1,0,0,0,0|2,0,0]=4 1631 B11R0.40 COCCCSCCC(=O)OC 62a_100000204255_100000709357 [1,1,0,0,0,0|2,0,0]=4 1632 B11R0.40 COCCCSCCC(=O)OC 62a_100000709357_100000204255 [1,1,0,0,0,0|2,0,0]=4 1633 B11R0.40 O=C(CO)CCCCCCCO 1458a_100000210174_100000760002 [1,1,0,0,0,0|1,0,1]=4 1634 B11R0.42 CC(CNCCCCF)C(=O)O 269956a_100000749485_100000729493 [1,1,0,0,0,0|2,0,0]=4 1635 B11R0.42 CC(CNCCCCO)C(=O)O 269956a_100000749485_100000210776 [1,1,0,0,0,0|2,0,0]=4 1636 B11R0.42 CCCCCCCC(C)C(=O)C 1458a_100000070787_200011218727 [1,1,0,0,0,0|1,0,1]=4 1637 B11R0.42 CCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210757 [1,1,0,0,0,0|1,0,1]=4 1638 B11R0.42 CCCCCNCC(C)C(=O)O 269956a_100000749485_100000210326 [1,1,0,0,0,0|1,0,0]=3 1639 B11R0.42 CCCCCNCC(F)C(=O)O 269956a_100000084737_100000210326 [1,1,0,0,0,0|1,0,0]=3 1640 B11R0.42 CCCCCOCC(C)C(=O)C 34a_100000032740_100000718602 [1,1,0,0,0,0|2,0,0]=4 1641 B11R0.42 CCCCCOCC(C)C(=O)C 7a_100000032740_100000210326 [1,1,0,0,0,0|2,0,0]=4 1642 B11R0.42 CCCCCOC[C@H](N)C(=O)N 34a_100000729942_100000718602 [1,1,0,0,0,0|2,0,0]=4 1643 B11R0.42 CCOCCNCC(C)C(=O)O 269956a_100000749485_100000210147 [1,1,0,0,0,0|2,0,0]=4 1644 B11R0.42 CCOCCNCC(F)C(=O)O 269956a_100000084737_100000210147 [1,1,0,0,0,0|2,0,0]=4 1645 B11R0.42 CCSCCNCC(C)C(=O)O 269956a_100000749485_100000757381 [1,1,0,0,0,0|2,0,0]=4 1646 B11R0.42 CCSCCNCC(F)C(=O)O 269956a_100000084737_100000757381 [1,1,0,0,0,0|2,0,0]=4 1647 B11R0.42 COCCCNCC(C)C(=O)O 269956a_100000749485_100000740836 [1,1,0,0,0,0|2,0,0]=4 1648 B11R0.42 COCCCNCC(F)C(=O)O 269956a_100000084737_100000740836 [1,1,0,0,0,0|2,0,0]=4 1649 B11R0.42 O=C(O)C(F)CNCCCCF 269956a_100000084737_100000729493 [1,1,0,0,0,0|2,0,0]=4 1650 B11R0.42 O=C(O)C(F)CNCCCCO 269956a_100000084737_100000210776 [1,1,0,0,0,0|2,0,0]=4 1651 B11R0.46 C=C(C)CCC(=O)CCCCC 1458a_100000212188_100000730704 [1,1,0,0,0,0|2,0,0]=4 1652 B11R0.46 C=C(C)CCC(=O)CCCCC 1458a_200000688413_100000210326 [1,1,0,0,0,0|2,0,0]=4 1653 B11R0.46 CCCCCC(=O)CCC(=O)N 1458a_100011215257_100000210326 [1,1,0,0,0,0|1,0,0]=3 1654 B11R0.46 CCCCCC(=O)CCC(C)O 1458a_100000212188_100012276601 [1,1,0,0,0,0|1,0,1]=4 1655 B11R0.46 CCCCCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000210326 [1,1,0,0,0,0|1,0,1]=4 1656 B11R0.46 CCCCCC(=O)CNC(=O)C 1458a_100000194580_100000210326 [1,1,0,0,0,0|2,0,0]=4 1657 B11R0.46 CCCCCC(=O)CNC(=O)N 1458a_100000184981_100000210326 [1,1,0,0,0,0|2,0,0]=4 1658 B11R0.46 CCCCCC(=O)COC(=O)C 1458a_100000183556_100000210326 [1,1,0,0,0,0|2,0,0]=4 1659 B11R0.46 CCCCCC(=O)CSC(=O)C 1458a_100000049016_100000210326 [1,1,0,0,0,0|2,0,0]=4 1660 B11R0.46 CCCCCC(=O)NCC(=O)N 11a_100000711301_100000212188 [1,1,0,0,0,0|2,0,0]=4 1661 B11R0.46 CCCCCC(=O)NCC(=O)N 240690a_100000711301_100000212188 [1,1,0,0,0,0|2,0,0]=4 1662 B11R0.46 CCCCCC(=O)NCC(=O)N 527a_100000711301_100000212188 [1,1,0,0,0,0|2,0,0]=4 1663 B11R0.46 CCCCCC(C)CCC(=O)C 1458a_100000034243_200000210301 [1,1,0,0,0,0|1,0,1]=4 1664 B11R0.46 CCCCCC(C)CCC(=O)[13CH3] 1458a_100000034243_200025704644 [1,1,0,0,0,0|1,0,1]=4 1665 B11R0.46 CCCCCC(C)NCC(=O)O 269956a_100016091260_200011218191 [1,1,0,0,0,0|1,0,1]=4 1666 B11R0.46 CCCCCN(C)CCC(=O)C 1458a_100016987678_200000210301 [1,1,0,0,0,0|2,0,0]=4 1667 B11R0.46 CCCCCN(C)CCC(=O)C 269982a_100000223495_100000053229 [1,1,0,0,0,0|2,0,0]=4 1668 B11R0.46 CCCCCN(C)CCC(=O)N 2230a_100000223495_100000744528 [1,1,0,0,0,0|2,0,0]=4 1669 B11R0.46 CCCCCN(C)CCC(=O)N 2230a_100000730477_100000210326 [1,1,0,0,0,0|2,0,0]=4 1670 B11R0.46 CCCCCN(C)CCC(=O)N 269982a_100000223495_100000744528 [1,1,0,0,0,0|2,0,0]=4 1671 B11R0.46 CCCCCN(C)CCC(=O)[13CH3] 1458a_100016987678_200025704644 [1,1,0,0,0,0|2,0,0]=4 1672 B11R0.46 CCCCNC(=O)CCC(=O)N 240690a_100000102301_100011215257 [1,1,0,0,0,0|2,0,0]=4 1673 B11R0.46 CCCCNC(=O)CCC(=O)N 527a_100000102301_100011215257 [1,1,0,0,0,0|2,0,0]=4 1674 B11R0.46 CCCNCC(=O)NCC(=O)O 269956a_100000183575_100000210207 [1,1,0,0,0,0|2,0,0]=4 1675 B11R0.46 CCNCCC(=O)NCC(=O)O 269956a_100000722369_100000210202 [1,1,0,0,0,0|2,0,0]=4 1676 B11R0.46 CCOCCC(=O)CCC(=O)N 1458a_100011215257_100011215890 [1,1,0,0,0,0|2,0,0]=4 1677 B11R0.46 CCSCCC(=O)CCC(=O)N 1458a_100011215257_100000757381 [1,1,0,0,0,0|2,0,0]=4 1678 B11R0.46 COCCCC(=O)CCC(=O)N 1458a_100011215257_100000740836 [1,1,0,0,0,0|2,0,0]=4 1679 B11R0.46 NC(=O)CCC(=O)CCCCF 1458a_100011215257_100000729493 [1,1,0,0,0,0|2,0,0]=4 1680 B11R0.46 NC(=O)CCC(=O)CCCCO 1458a_100011215257_100000210776 [1,1,0,0,0,0|2,0,0]=4 1681 B11R0.111 CCC(C)CCNCCC(=O)N 2230a_100020591266_100000744528 [1,1,0,0,0,0|2,0,0]=4 1682 B11R0.111 CCC(C)CCOCCC(=O)C 7a_100011215188_100000053229 [1,1,0,0,0,0|2,0,0]=4 1683 B11R0.111 CCC(C)CCOCCC(=O)N 7a_100011215188_100000744528 [1,1,0,0,0,0|2,0,0]=4 1684 B11R0.147 CCCCC(=O)CCCC(=O)C 1458a_100000210183_100011215641 [1,1,0,0,0,0|1,0,1]=4 1685 B11R0.147 CCCCC(=O)CCCC(=O)N 1458a_100000210183_100102525003 [1,1,0,0,0,0|1,0,1]=4 1686 B11R0.147 CCCCC(=O)NCCC(=O)N 11a_100000740010_100000210183 [1,1,0,0,0,0|2,0,0]=4 1687 B11R0.147 CCCCC(=O)NCCC(=O)N 240690a_100000740010_100000210183 [1,1,0,0,0,0|2,0,0]=4 1688 B11R0.147 CCCCC(=O)NCCC(=O)N 527a_100000740010_100000210183 [1,1,0,0,0,0|2,0,0]=4 1689 B11R0.147 CCCCC(C)NCCC(=O)N 2230a_100000126638_100000744528 [1,1,0,0,0,0|2,0,0]=4 1690 B11R0.147 CCCCC(C)NOCC(=O)O 269956a_100000106656_200011215066 [1,1,0,0,0,0|2,0,0]=4 1691 B11R0.147 CCCCC(C)OCCC(=O)C 34a_100000759926_200011215066 [1,1,0,0,0,0|2,0,0]=4 1692 B11R0.147 CCCCC(C)OCCC(=O)C 7a_100000687866_100000053229 [1,1,0,0,0,0|2,0,0]=4 1693 B11R0.147 CCCCC(C)OCCC(=O)C 7a_100000759926_200011215066 [1,1,0,0,0,0|2,0,0]=4 1694 B11R0.147 CCCCC(C)OCCC(=O)N 34a_100000687866_100000731001 [1,1,0,0,0,0|2,0,0]=4 1695 B11R0.147 CCCCC(C)OCCC(=O)N 34a_100000757172_200011215066 [1,1,0,0,0,0|2,0,0]=4 1696 B11R0.147 CCCCC(C)OCCC(=O)N 7a_100000687866_100000744528 [1,1,0,0,0,0|2,0,0]=4 1697 B11R0.147 CCCCC(C)OCCC(=O)N 7a_100000757172_200011215066 [1,1,0,0,0,0|2,0,0]=4 1698 B11R0.147 CCCCC(C)SCCC(=O)C 62a_100000053229_200011215066 [1,1,0,0,0,0|2,0,0]=4 1699 B11R0.147 CCCCC(C)SCCC(=O)C 62a_200011215066_100000053229 [1,1,0,0,0,0|2,0,0]=4 1700 B11R0.147 CCCCC(C)SCCC(=O)N 62a_100000744528_200011215066 [1,1,0,0,0,0|2,0,0]=4 1701 B11R0.147 CCCCC(C)SCCC(=O)N 62a_200011215066_100000744528 [1,1,0,0,0,0|2,0,0]=4 1702 B11R0.147 CCCCN(C)CCCC(=O)O 269956a_100000719178_100000210211 [1,1,0,0,0,0|1,0,1]=4 1703 B11R0.176 CCCC(C)CNOCC(=O)O 269956a_100000106656_100011216630 [1,1,0,0,0,0|2,0,0]=4 1704 B11R0.176 CCCC(C)COCCC(=O)C 34a_100000759926_100011216630 [1,1,0,0,0,0|2,0,0]=4 1705 B11R0.176 CCCC(C)COCCC(=O)C 7a_100000688023_100000053229 [1,1,0,0,0,0|2,0,0]=4 1706 B11R0.176 CCCC(C)COCCC(=O)C 7a_100000759926_100011216630 [1,1,0,0,0,0|2,0,0]=4 1707 B11R0.176 CCCC(C)COCCC(=O)N 34a_100000688023_100000731001 [1,1,0,0,0,0|2,0,0]=4 1708 B11R0.176 CCCC(C)COCCC(=O)N 34a_100000757172_100011216630 [1,1,0,0,0,0|2,0,0]=4 1709 B11R0.176 CCCC(C)COCCC(=O)N 7a_100000688023_100000744528 [1,1,0,0,0,0|2,0,0]=4 1710 B11R0.176 CCCC(C)COCCC(=O)N 7a_100000757172_100011216630 [1,1,0,0,0,0|2,0,0]=4 1711 B11R0.176 CCCC(C)CSCCC(=O)C 62a_100000053229_100011216630 [1,1,0,0,0,0|2,0,0]=4 1712 B11R0.176 CCCC(C)CSCCC(=O)C 62a_100011216630_100000053229 [1,1,0,0,0,0|2,0,0]=4 1713 B11R0.176 CCCC(C)CSCCC(=O)N 62a_100000744528_100011216630 [1,1,0,0,0,0|2,0,0]=4 1714 B11R0.176 CCCC(C)CSCCC(=O)N 62a_100011216630_100000744528 [1,1,0,0,0,0|2,0,0]=4 1715 B11R0.176 CCC[C@H](N)COCCC(=O)N 34a_100000732646_100000731001 [1,1,0,0,0,0|2,0,0]=4 1716 B11R0.3 C#CCOC/C=C/CCCCC 34a_100016258190_100000184674 [1,1,0,0,0,0|1,0,1]=4 1717 B11R0.3 C#CCOC/C=C/CCCCC 7a_100016258190_100000038162 [1,1,0,0,0,0|1,0,1]=4 1718 B11R0.3 C=CCCC/C=C/COCC=O 34a_200016268473_200009817547 [1,1,0,0,0,0|0,0,2]=4 1719 B11R0.3 C=CCCC/C=C/COCC=O 7a_200016268473_200015260668 [1,1,0,0,0,0|0,0,2]=4 1720 B11R0.3 C=CCCC/C=C/COCCC 34a_200016268473_100000210303 [1,1,0,0,0,0|2,0,0]=4 1721 B11R0.3 C=CCCC/C=C/COCCC 7a_200016268473_100000210303 [1,1,0,0,0,0|2,0,0]=4 1722 B11R0.3 C=CCCC=NNCCCCC 4a_100000694160_100011216789 [1,1,0,0,0,0|2,0,0]=4 1723 B11R0.3 C=CCOC/C=C/CCCCC 34a_100016258190_100015514636 [1,1,0,0,0,0|1,0,0]=3 1724 B11R0.3 C=CCOC/C=C/CCCCC 7a_100016258190_100015514636 [1,1,0,0,0,0|1,0,0]=3 1725 B11R0.3 CCC/C=C/C=C/COCC=O 34a_100016294078_200009817547 [1,1,0,0,0,0|0,0,2]=4 1726 B11R0.3 CCCC/C=C/CCCCOC 34a_200020645093_200000210301 [1,1,0,0,0,0|1,0,1]=4 1727 B11R0.3 CCCC/C=C/CCCCOC 7a_200020645093_200000210301 [1,1,0,0,0,0|1,0,1]=4 1728 B11R0.3 CCCC/C=C/CCCCO[13CH3] 34a_200020645093_200025704644 [1,1,0,0,0,0|1,0,1]=4 1729 B11R0.3 CCCC/C=C/CCCCO[13CH3] 7a_200020645093_200025704644 [1,1,0,0,0,0|1,0,1]=4 1730 B11R0.3 CCCC/C=C/COCCCC 34a_200016272032_100000210210 [1,1,0,0,0,0|1,0,1]=4 1731 B11R0.3 CCCC/C=C/COCCCC 7a_200016272032_100000210211 [1,1,0,0,0,0|1,0,1]=4 1732 B11R0.3 CCCC/C=C\CCOCC=O 34a_200016286491_200009817547 [1,1,0,0,0,0|0,0,2]=4 1733 B11R0.3 CCCC/C=C\CCOCC=O 7a_200016286491_200015260668 [1,1,0,0,0,0|0,0,2]=4 1734 B11R0.3 CCCC/C=C\CCOCCC 34a_200016286491_100000210303 [1,1,0,0,0,0|1,0,1]=4 1735 B11R0.3 CCCC/C=C\CCOCCC 7a_200016286491_100000210303 [1,1,0,0,0,0|1,0,1]=4 1736 B11R0.3 CCCCC/C=C/COCC#N 7a_100016258190_100011215382 [1,1,0,0,0,0|1,0,1]=4 1737 B11R0.3 CCCCC/C=C/COCC=O 34a_100016258190_200009817547 [1,1,0,0,0,0|0,0,0]=2 1738 B11R0.3 CCCCC/C=C/COCC=O 7a_100016258190_200015260668 [1,1,0,0,0,0|0,0,0]=2 1739 B11R0.3 CCCCC/C=C/COCCC 34a_100016258190_100000210303 [1,1,0,0,0,0|1,0,1]=4 1740 B11R0.3 CCCCC/C=C/COCCC 7a_100016258190_100000210303 [1,1,0,0,0,0|1,0,1]=4 1741 B11R0.3 CCCCC/C=C/COCCF 34a_100016258190_100011217306 [1,1,0,0,0,0|1,0,1]=4 1742 B11R0.3 CCCCC/C=C/COCCF 7a_100016258190_100011217306 [1,1,0,0,0,0|1,0,1]=4 1743 B11R0.3 CCCCC/C=C/COCCO 34a_100016258190_100000211926 [1,1,0,0,0,0|0,0,1]=3 1744 B11R0.3 CCCCC/C=C/COCCO 7a_100016258190_100000211926 [1,1,0,0,0,0|0,0,1]=3 1745 B11R0.3 CCCCC/C=C/COCSC 34a_100016258190_100011218213 [1,1,0,0,0,0|2,0,0]=4 1746 B11R0.3 CCCCC/C=C\CCCOC 34a_100020655193_200000210301 [1,1,0,0,0,0|0,0,1]=3 1747 B11R0.3 CCCCC/C=C\CCCOC 7a_100020655193_200000210301 [1,1,0,0,0,0|0,0,1]=3 1748 B11R0.3 CCCCC/C=C\CCCO[13CH3] 34a_100020655193_200025704644 [1,1,0,0,0,0|0,0,1]=3 1749 B11R0.3 CCCCC/C=C\CCCO[13CH3] 7a_100020655193_200025704644 [1,1,0,0,0,0|0,0,1]=3 1750 B11R0.3 CCCCC/C=C\CCOCC 34a_100016277358_100000210202 [1,1,0,0,0,0|1,0,1]=4 1751 B11R0.3 CCCCC/C=C\CCOCC 7a_100016277358_100000210202 [1,1,0,0,0,0|1,0,1]=4 1752 B11R0.3 CCCCC/C=C\CCOCF 34a_100016277358_100015361967 [1,1,0,0,0,0|1,0,1]=4 1753 B11R0.3 CCCCC/C=C\CCOCF 7a_100016277358_100015361967 [1,1,0,0,0,0|1,0,1]=4 1754 B11R0.3 CCCCCC#CCOCC=O 34a_200000033628_200009817547 [1,1,0,0,0,0|0,0,2]=4 1755 B11R0.3 CCCCCC#CCOCC=O 7a_200000033628_200015260668 [1,1,0,0,0,0|0,0,2]=4 1756 B11R0.3 CCCCCC#CCSCC=O 62a_100009816472_200015260668 [1,1,0,0,0,0|0,0,2]=4 1757 B11R0.3 CCCCCC#CCSCC=O 62a_200015260668_100009816472 [1,1,0,0,0,0|0,0,2]=4 1758 B11R0.3 CCCCCCCCNCC=O 2230a_100000229939_200015260668 [1,1,0,0,0,0|0,0,2]=4 1759 B11R0.3 CCCCCCCCNCC=O 34a_100000229939_200009817547 [1,1,0,0,0,0|0,0,2]=4 1760 B11R0.3 CCCCCCCCOCC=O 34a_100000210232_200009817547 [1,1,0,0,0,0|0,0,2]=4 1761 B11R0.3 CCCCCCCCOCC=O 7a_100000210232_200015260668 [1,1,0,0,0,0|0,0,2]=4 1762 B11R0.3 CCCCCCCCSCC=O 62a_100000210759_200015260668 [1,1,0,0,0,0|0,0,2]=4 1763 B11R0.3 CCCCCCCCSCC=O 62a_200015260668_100000210317 [1,1,0,0,0,0|0,0,2]=4 1764 B11R0.3 CCCCCCNCCCC=O 2230a_100000210581_200011292268 [1,1,0,0,0,0|0,0,2]=4 1765 B11R0.3 CCCCCCOCCCC=O 7a_100000210259_200011292268 [1,1,0,0,0,0|0,0,2]=4 1766 B11R0.3 CCCCCCSCCCC=O 62a_100000210314_200011292268 [1,1,0,0,0,0|0,0,2]=4 1767 B11R0.3 CCCCCCSCCCC=O 62a_200011292268_100000210757 [1,1,0,0,0,0|0,0,2]=4 1768 B11R0.3 CCCCCNCCCCC=O 2230a_100000209983_100000139335 [1,1,0,0,0,0|0,0,2]=4 1769 B11R0.3 CCCCCNCCOCC=O 34a_100000224656_200009817547 [1,1,0,0,0,0|1,0,1]=4 1770 B11R0.3 CCCCCOCCCCC=O 7a_100000210253_100000139335 [1,1,0,0,0,0|0,0,2]=4 1771 B11R0.3 CCCCCOCCOCC=O 34a_100011215259_200009817547 [1,1,0,0,0,0|1,0,1]=4 1772 B11R0.3 CCCCCOCCOCC=O 7a_100011215259_200015260668 [1,1,0,0,0,0|1,0,1]=4 1773 B11R0.3 CCCCCSCCCCC=O 62a_100000139335_100000210326 [1,1,0,0,0,0|0,0,2]=4 1774 B11R0.3 CCCCCSCCCCC=O 62a_100000210326_100000139335 [1,1,0,0,0,0|0,0,2]=4 1775 B11R0.3 CCCCNCCCCCC=O 2230a_100000102301_100000139337 [1,1,0,0,0,0|0,0,2]=4 1776 B11R0.3 CCCCNCCCCCC=O 7a_106832991798_100000139337 [1,1,0,0,0,0|0,0,2]=4 1777 B11R0.3 CCCCOCCCCCC=O 7a_100000210227_100000139337 [1,1,0,0,0,0|0,0,2]=4 1778 B11R0.3 CCCCOCSCCCC=O 62a_100011995733_200011292268 [1,1,0,0,0,0|1,0,1]=4 1779 B11R0.3 CCCCOCSCCCC=O 62a_200011292268_100011995733 [1,1,0,0,0,0|1,0,1]=4 1780 B11R0.3 CCCCSCCCCCC=O 62a_100000139337_100000210210 [1,1,0,0,0,0|0,0,2]=4 1781 B11R0.3 CCCCSCCCCCC=O 62a_100000210211_100000139337 [1,1,0,0,0,0|0,0,2]=4 1782 B11R0.3 CCCOCCNCCCC=O 2230a_100161115042_200011292268 [1,1,0,0,0,0|1,0,1]=4 1783 B11R0.3 CCCOCCOCCCC=O 7a_100000752267_200011292268 [1,1,0,0,0,0|1,0,1]=4 1784 B11R0.3 CCCOCCSCCCC=O 62a_100011215938_200011292268 [1,1,0,0,0,0|1,0,1]=4 1785 B11R0.3 CCCOCCSCCCC=O 62a_200011292268_100011215938 [1,1,0,0,0,0|1,0,1]=4 1786 B11R0.3 CCCSCCNCCCC=O 2230a_100020603323_200011292268 [1,1,0,0,0,0|1,0,1]=4 1787 B11R0.3 CCCSCCOCCCC=O 7a_200000230433_200011292268 [1,1,0,0,0,0|1,0,1]=4 1788 B11R0.3 CCOCCCNCCCC=O 2230a_100000210961_200011292268 [1,1,0,0,0,0|1,0,1]=4 1789 B11R0.3 CCOCCCOCCCC=O 7a_100000757476_200011292268 [1,1,0,0,0,0|1,0,1]=4 1790 B11R0.3 CCOCCCSCCCC=O 62a_100012232248_200011292268 [1,1,0,0,0,0|1,0,1]=4 1791 B11R0.3 CCOCCCSCCCC=O 62a_200011292268_100012232248 [1,1,0,0,0,0|1,0,1]=4 1792 B11R0.3 CCSCCCOCCCC=O 7a_100011216438_200011292268 [1,1,0,0,0,0|1,0,1]=4 1793 B11R0.3 COCCCCSCCCC=O 62a_100000730899_200011292268 [1,1,0,0,0,0|1,0,1]=4 1794 B11R0.3 COCCCCSCCCC=O 62a_200011292268_100000730899 [1,1,0,0,0,0|1,0,1]=4 1795 B11R0.3 CSCCCCOCCCC=O 7a_100011217163_200011292268 [1,1,0,0,0,0|1,0,1]=4 1796 B11R0.3 O=CCCCNCCCCCO 2230a_100000762737_200011292268 [1,1,0,0,0,0|1,0,1]=4 1797 B11R0.3 O=CCCCOCCCCCBr 7a_100000746331_200011292268 [1,1,0,0,0,0|1,0,1]=4 1798 B11R0.3 O=CCCCOCCCCCCl 7a_100000746330_200011292268 [1,1,0,0,0,0|1,0,1]=4 1799 B11R0.3 O=CCCCOCCCCCI 7a_200012148887_200011292268 [1,1,0,0,0,0|1,0,1]=4 1800 B11R0.3 O=CCCCSCCCCCF 62a_100000729378_200011292268 [1,1,0,0,0,0|1,0,1]=4 1801 B11R0.3 O=CCCCSCCCCCF 62a_200011292268_100000729378 [1,1,0,0,0,0|1,0,1]=4 1802 B11R0.3 O=CCCCSCCCCCO 62a_100000746330_200011292268 [1,1,0,0,0,0|1,0,1]=4 1803 B11R0.3 O=CCCCSCCCCCO 62a_200011292268_100000746330 [1,1,0,0,0,0|1,0,1]=4 1804 B11R0.4 C=CCC(=O)C=CCCCCC 1458a_100016263427_100000210623 [1,1,0,0,0,0|1,0,1]=4 1805 B11R0.4 CCCC(C)COCCCC=O 7a_100000688023_200011292268 [1,1,0,0,0,0|1,0,1]=4 1806 B11R0.4 CCCC(C)CSCCCC=O 62a_100011216630_200011292268 [1,1,0,0,0,0|1,0,1]=4 1807 B11R0.4 CCCC(C)CSCCCC=O 62a_200011292268_100011216630 [1,1,0,0,0,0|1,0,1]=4 1808 B11R0.4 CCCCCC=CC(=O)CCO 1458a_100016263427_100000211926 [1,1,0,0,0,0|0,0,2]=4 1809 B11R0.81 C=CCCC(=O)C=CCCCC 1458a_100016266645_100000754431 [1,1,0,0,0,0|1,0,1]=4 1810 B11R0.81 C=CCCC(=O)CCCCCC 1458a_100000749702_100000210757 [1,1,0,0,0,0|1,0,1]=4 1811 B11R0.81 C=CCCC(=O)CCCCCC 1458a_100102632555_100000754431 [1,1,0,0,0,0|1,0,1]=4 1812 B11R0.81 C=CCCC(=O)NCCCCC 11a_100000209983_100000749702 [1,1,0,0,0,0|2,0,0]=4 1813 B11R0.81 C=CCCC(=O)NCCCCC 1626a_100000209983_100000749702 [1,1,0,0,0,0|2,0,0]=4 1814 B11R0.81 C=CCCC(=O)NCCCCC 240690a_100000209983_100000749702 [1,1,0,0,0,0|2,0,0]=4 1815 B11R0.81 C=CCCC(=O)NCCCCC 527a_100000209983_100000749702 [1,1,0,0,0,0|2,0,0]=4 1816 B11R0.81 CCCCC(C)NCCCC=O 2230a_100000126638_200011292268 [1,1,0,0,0,0|1,0,1]=4 1817 B11R0.81 CCCCC(C)OCCCC=O 7a_100000687866_200011292268 [1,1,0,0,0,0|1,0,1]=4 1818 B11R0.81 CCCCC(C)SCCCC=O 62a_200011215066_200011292268 [1,1,0,0,0,0|1,0,1]=4 1819 B11R0.81 CCCCC(C)SCCCC=O 62a_200011292268_200011215066 [1,1,0,0,0,0|1,0,1]=4 1820 B11R0.81 CCCCC=CC(=O)CCCO 1458a_100016266645_100011215043 [1,1,0,0,0,0|0,0,2]=4 1821 B11R0.81 CCCCCCC(=O)CCCO 1458a_100102632555_100011215043 [1,1,0,0,0,0|0,0,2]=4 1822 B11R0.140 C=CCCCC(=O)CCCCC 1458a_100000212188_100000757094 [1,1,0,0,0,0|1,0,1]=4 1823 B11R0.140 C=CCCCC(=O)CCCCC 1458a_100000766728_100000210326 [1,1,0,0,0,0|1,0,1]=4 1824 B11R0.140 C=CCCNC(=O)CCCCC 11a_100015191253_100000212188 [1,1,0,0,0,0|2,0,0]=4 1825 B11R0.140 C=CCCNC(=O)CCCCC 1626a_100015191253_100000212188 [1,1,0,0,0,0|2,0,0]=4 1826 B11R0.140 C=CCCNC(=O)CCCCC 240690a_100015191253_100000212188 [1,1,0,0,0,0|2,0,0]=4 1827 B11R0.140 C=CCCNC(=O)CCCCC 527a_100015191253_100000212188 [1,1,0,0,0,0|2,0,0]=4 1828 B11R0.140 CCCCCC(=O)CCCCO 1458a_100000212188_100000210776 [1,1,0,0,0,0|0,0,2]=4 1829 B11R0.140 CCCCCC(=O)CCCCO 1458a_100000695505_100000210326 [1,1,0,0,0,0|0,0,2]=4 1830 B11R0.140 CCCCCC(=O)CSCC=O 62a_200012276598_200015260668 [1,1,0,0,0,0|1,0,1]=4 1831 B11R0.140 CCCCCC(=O)CSCC=O 62a_200015260668_200012276598 [1,1,0,0,0,0|1,0,1]=4 1832 B11R0.140 CCCCCC(=O)NCCCO 240690a_100000182051_100000212188 [1,1,0,0,0,0|1,0,1]=4 1833 B11R0.140 CCCCCC(=O)NCCCO 527a_100000182051_100000212188 [1,1,0,0,0,0|1,0,1]=4 1834 B11R0.140 CCCCCN(C)CCCC=O 2230a_100000223495_200011292268 [1,1,0,0,0,0|1,0,1]=4 1835 B11R0.140 CCCCCN(C)CCCC=O 269982a_100000223495_200011292268 [1,1,0,0,0,0|1,0,1]=4 1836 B13R0.62 CCCCCCN[C@H](CC)CC(=O)O 269956a_100016995926_100000210757 [0,2,0,0,0,0|1,0,1]=4 1837 B13R0.62 CCCCCCN[C@H](CO)CC(=O)O 269956a_100009816507_100000210757 [0,2,0,0,0,0|1,0,1]=4 1838 B13R0.115 CCCCC(C)NCC(O)CC(=O)O 269956a_100011218706_200011215066 [0,2,0,0,0,0|1,0,1]=4 1839 B13R0.178 CC(C)CCCNCC(O)CC(=O)O 269956a_100011218706_100011214892 [0,2,0,0,0,0|1,0,1]=4 1840 B13R0.178 CC(O)CCCNCC(O)CC(=O)O 269956a_100011218706_200000718107 [0,2,0,0,0,0|1,0,1]=4 1841 B13R0.274 CCCCCC=CC(=O)CC(=O)CC 1458a_100016263427_100000747405 [0,2,0,0,0,0|1,0,1]=4 1842 B13R0.274 CCCCCC=CC(=O)CC(=O)NC 1458a_100016263427_100000183359 [0,2,0,0,0,0|1,0,1]=4 1843 B13R0.274 CCCCCC=CC(=O)CC(=O)OC 1458a_100016263427_100000747449 [0,2,0,0,0,0|0,0,1]=3 1844 B13R0.274 CCCCCCNC(C)CC(=O)OC 2230a_100000210581_100009817358 [0,2,0,0,0,0|1,0,1]=4 1845 B13R0.274 CCCCCCOC(C)CC(=O)OC 34a_100000210259_100009817358 [0,2,0,0,0,0|1,0,1]=4 1846 B13R0.274 CCCCCCOC(C)CC(=O)OC 7a_100000210259_100009817358 [0,2,0,0,0,0|1,0,1]=4 1847 B13R0.274 CCCCCCSC(C)CC(=O)OC 62a_100000210314_100009817358 [0,2,0,0,0,0|1,0,1]=4 1848 B13R0.274 CCCCCCSC(C)CC(=O)OC 62a_100009817358_100000210757 [0,2,0,0,0,0|1,0,1]=4 1849 B13R0.274 CCCCCOC[C@H](O)CC(=O)OC 34a_100000210253_100000754131 [0,2,0,0,0,0|1,0,1]=4 1850 B13R0.274 CCCCCOC[C@H](O)CC(=O)OC 7a_100000210253_100000754131 [0,2,0,0,0,0|1,0,1]=4 1851 B13R0.274 CCCCCSC[C@H](O)CC(=O)OC 62a_100000210326_100000754131 [0,2,0,0,0,0|1,0,1]=4 1852 B13R0.274 CCCCCSC[C@H](O)CC(=O)OC 62a_100000754131_100000210326 [0,2,0,0,0,0|1,0,1]=4 1853 B13R0.332 CCCC(C)CNCC(O)CC(=O)O 269956a_100011218706_100011216630 [0,2,0,0,0,0|1,0,1]=4 1854 B13R0.333 CCCCCC(=O)CN(C)CC(=O)O 269956a_100000746989_200012276598 [0,2,0,0,0,0|1,0,1]=4 1855 B13R0.335 C=C(C)CC(=O)C/C=C/CCCCC 1458a_100020675968_100000748629 [0,2,0,0,0,0|2,0,0]=4 1856 B13R0.335 C=C(F)CC(=O)C/C=C/CCCCC 1458a_100020675968_100009893438 [0,2,0,0,0,0|2,0,0]=4 1857 B13R0.335 CCCCC/C=C/CC(=O)CC(=O)N 1458a_100020675968_100000187820 [0,2,0,0,0,0|1,0,0]=3 1858 B13R0.335 CCCCC/C=C/CC(=O)CC(=O)[O-] 1458a_100020675968_100020667443 [0,2,0,0,0,0|0,0,1]=3 1859 B13R0.335 CCCCC/C=C/CC(=O)CC(C)O 1458a_100020675968_100011218427 [0,2,0,0,0,0|1,0,1]=4 1860 B13R0.335 CCCCC/C=C/CC(=O)C[N+](=O)[O-] 1458a_100020675968_100000761209 [0,2,0,0,0,0|1,0,1]=4 1861 B13R0.335 CCCCCC#CCN(C)CC(=O)O 269956a_100000746989_100009816472 [0,2,0,0,0,0|0,0,2]=4 1862 B13R0.335 CCCCCCC=CC(=O)CC(=O)N 1458a_200015324643_100000187820 [0,2,0,0,0,0|1,0,1]=4 1863 B13R0.335 CCCCCCC=CC(=O)CC(=O)[O-] 1458a_200015324643_100020667443 [0,2,0,0,0,0|0,0,2]=4 1864 B13R0.335 CCCCCCCCN(C)CC(=O)O 269956a_100000746989_100000210759 [0,2,0,0,0,0|0,0,2]=4 1865 B13R0.335 CCCCCCNCC(O)CC(=O)O 269956a_100011218706_100000210757 [0,2,0,0,0,0|0,0,2]=4 1866 B13R0.335 CCCCOCNCC(O)CC(=O)O 269956a_100011218706_100011995733 [0,2,0,0,0,0|1,0,1]=4 1867 B13R0.335 CCCOCCNCC(O)CC(=O)O 269956a_100011218706_100011215938 [0,2,0,0,0,0|1,0,1]=4 1868 B13R0.335 CCOCCCNCC(O)CC(=O)O 269956a_100011218706_100012232248 [0,2,0,0,0,0|1,0,1]=4 1869 B13R0.335 COCCCCNCC(O)CC(=O)O 269956a_100011218706_100000730899 [0,2,0,0,0,0|1,0,1]=4 1870 B13R0.335 O=C(O)CC(O)CNCCCCCF 269956a_100011218706_100000729378 [0,2,0,0,0,0|1,0,1]=4 1871 B13R0.335 O=C(O)CC(O)CNCCCCCO 269956a_100011218706_100000746330 [0,2,0,0,0,0|1,0,1]=4 1872 B13R0.337 CCCCCC=CC(=O)C(C)C(=O)C 1458a_100016263427_100000179758 [0,2,0,0,0,0|1,0,1]=4 1873 B13R0.337 CCCCCC=CC(=O)C(C)C(=O)N 1458a_100016263427_100000702099 [0,2,0,0,0,0|1,0,1]=4 1874 B13R0.337 CCCCCC=CC(=O)C(F)C(=O)N 1458a_100016263427_100009813875 [0,2,0,0,0,0|1,0,1]=4 1875 B13R0.337 CCCCCC=CC(=O)C(F)C(=O)[O-] 1458a_100016263427_100020610796 [0,2,0,0,0,0|0,0,2]=4 1876 B13R0.712 CCCCCCNC(C)(C)CC(=O)O 269956a_100000755897_100000210757 [0,2,0,0,0,0|1,0,1]=4 1877 B13R0.113 CCCCC(C)COCCC(=O)OC 34a_100011995851_100000742370 [0,2,0,0,0,0|1,0,1]=4 1878 B13R0.113 CCCCC(C)COCCC(=O)OC 7a_100011995851_100000204255 [0,2,0,0,0,0|1,0,1]=4 1879 B13R0.113 CCCCC(C)NCCCC(=O)OC 2230a_100000126638_100011218270 [0,2,0,0,0,0|1,0,1]=4 1880 B13R0.113 CCCCC(C)OCCCC(=O)OC 34a_100000687866_100000742333 [0,2,0,0,0,0|1,0,1]=4 1881 B13R0.113 CCCCC(C)OCCCC(=O)OC 7a_100000687866_100011218270 [0,2,0,0,0,0|1,0,1]=4 1882 B13R0.113 CCCCC(C)SCCCC(=O)OC 62a_100011218270_200011215066 [0,2,0,0,0,0|1,0,1]=4 1883 B13R0.113 CCCCC(C)SCCCC(=O)OC 62a_200011215066_100011218270 [0,2,0,0,0,0|1,0,1]=4 1884 B13R0.113 CCCC[C@H](N)COCCC(=O)OC 34a_100011934283_100000742370 [0,2,0,0,0,0|1,0,1]=4 1885 B13R0.172 CCCCC(C)NC(=O)CCC(=O)N 240690a_100000126638_100011215257 [0,2,0,0,0,0|2,0,0]=4 1886 B13R0.172 CCCCC(C)NC(=O)CCC(=O)N 527a_100000126638_100011215257 [0,2,0,0,0,0|2,0,0]=4 1887 B13R0.182 CC(C)CCCCC(=O)CCC(=O)N 1458a_100011215257_100011216152 [0,2,0,0,0,0|1,0,1]=4 1888 B13R0.182 CC(C)CCCNC(=O)CCC(=O)N 240690a_200000737386_100011215257 [0,2,0,0,0,0|2,0,0]=4 1889 B13R0.182 CC(C)CCCNC(=O)CCC(=O)N 527a_200000737386_100011215257 [0,2,0,0,0,0|2,0,0]=4 1890 B13R0.188 CCCCCC(=O)CCCCC(=O)C 1458a_100000212188_100000735457 [0,2,0,0,0,0|1,0,1]=4 1891 B13R0.188 CCCCCC(=O)CCCNC(=O)C 1458a_100000194741_100000210326 [0,2,0,0,0,0|1,0,1]=4 1892 B13R0.188 CCCCCC(=O)CCCOC(=O)C 1458a_100000212188_100000042594 [0,2,0,0,0,0|1,0,1]=4 1893 B13R0.188 CCCCCC(=O)CCCSC(=O)C 1458a_100000212188_100000038929 [0,2,0,0,0,0|1,0,1]=4 1894 B13R0.188 CCCCCC(=O)CCOCC(=O)N 1458a_100000212188_100000076697 [0,2,0,0,0,0|1,0,1]=4 1895 B13R0.188 CCCCCC(=O)CCSCC(=O)N 1458a_100000148550_100000210326 [0,2,0,0,0,0|1,0,1]=4 1896 B13R0.188 CCCCCC(=O)CNOCC(=O)O 269956a_100000106656_200012276598 [0,2,0,0,0,0|1,0,1]=4 1897 B13R0.188 CCCCCC(=O)COCCC(=O)C 34a_100000759926_200012276598 [0,2,0,0,0,0|1,0,1]=4 1898 B13R0.188 CCCCCC(=O)COCCC(=O)C 7a_100000759926_200012276598 [0,2,0,0,0,0|1,0,1]=4 1899 B13R0.188 CCCCCC(=O)COCCC(=O)N 34a_100000757172_200012276598 [0,2,0,0,0,0|1,0,1]=4 1900 B13R0.188 CCCCCC(=O)COCCC(=O)N 7a_100000757172_200012276598 [0,2,0,0,0,0|1,0,1]=4 1901 B13R0.188 CCCCCC(=O)CSCCC(=O)C 62a_100000053229_200012276598 [0,2,0,0,0,0|1,0,1]=4 1902 B13R0.188 CCCCCC(=O)CSCCC(=O)C 62a_200012276598_100000053229 [0,2,0,0,0,0|1,0,1]=4 1903 B13R0.188 CCCCCC(=O)CSCCC(=O)N 62a_100000744528_200012276598 [0,2,0,0,0,0|1,0,1]=4 1904 B13R0.188 CCCCCC(=O)CSCCC(=O)N 62a_200012276598_100000744528 [0,2,0,0,0,0|1,0,1]=4 1905 B13R0.188 CCCCCC(=O)NCCCC(=O)N 240690a_100000739312_100000212188 [0,2,0,0,0,0|1,0,1]=4 1906 B13R0.188 CCCCCC(=O)NCCCC(=O)N 527a_100000739312_100000212188 [0,2,0,0,0,0|1,0,1]=4 1907 B13R0.188 CCCCCC(=O)NCCNC(=O)C 240690a_100000209853_100000212188 [0,2,0,0,0,0|2,0,0]=4 1908 B13R0.188 CCCCCC(=O)NCCNC(=O)C 527a_100000209853_100000212188 [0,2,0,0,0,0|2,0,0]=4 1909 B13R0.188 CCCCCC(=O)NCCNC(=O)N 240690a_100020590234_100000212188 [0,2,0,0,0,0|2,0,0]=4 1910 B13R0.188 CCCCCC(=O)NCCNC(=O)N 527a_100020590234_100000212188 [0,2,0,0,0,0|2,0,0]=4 1911 B13R0.188 CCCCCC(=O)NCCOC(=O)C 11a_100000724843_100000212188 [0,2,0,0,0,0|2,0,0]=4 1912 B13R0.188 CCCCCC(=O)NCCOC(=O)C 240690a_100000724843_100000212188 [0,2,0,0,0,0|2,0,0]=4 1913 B13R0.188 CCCCCC(=O)NCCOC(=O)C 527a_100000724843_100000212188 [0,2,0,0,0,0|2,0,0]=4 1914 B13R0.188 CCCCCC(=O)NCCSC(=O)C 11a_100020647217_100000212188 [0,2,0,0,0,0|2,0,0]=4 1915 B13R0.188 CCCCCC(=O)NCCSC(=O)C 240690a_100020647217_100000212188 [0,2,0,0,0,0|2,0,0]=4 1916 B13R0.188 CCCCCC(=O)NCCSC(=O)C 527a_100020647217_100000212188 [0,2,0,0,0,0|2,0,0]=4 1917 B13R0.345 CCCCC(C)C(=O)CCCC(=O)C 1458a_100000725509_100011215641 [0,2,0,0,0,0|1,0,1]=4 1918 B13R0.345 CCCCC(C)C(=O)CCCC(=O)N 1458a_100000725509_100102525003 [0,2,0,0,0,0|1,0,1]=4 1919 B13R0.345 CCCCC(C)C(=O)NCCC(=O)N 11a_100000740010_100000725509 [0,2,0,0,0,0|2,0,0]=4 1920 B13R0.345 CCCCC(C)C(=O)NCCC(=O)N 240690a_100000740010_100000725509 [0,2,0,0,0,0|2,0,0]=4 1921 B13R0.345 CCCCC(C)C(=O)NCCC(=O)N 527a_100000740010_100000725509 [0,2,0,0,0,0|2,0,0]=4 1922 B13R0.345 CCCCC(C)N(C)CCCC(=O)O 269956a_100000719178_200011215066 [0,2,0,0,0,0|1,0,1]=4 1923 B13R0.345 CCCCC(O)C(=O)CCCC(=O)C 1458a_100000720857_100011215641 [0,2,0,0,0,0|1,0,1]=4 1924 B13R0.345 CCCCC(O)C(=O)CCCC(=O)N 1458a_100000720857_100102525003 [0,2,0,0,0,0|1,0,1]=4 1925 B13R0.345 CCCCC(O)C(=O)NCCC(=O)N 240690a_100000740010_100000720857 [0,2,0,0,0,0|2,0,0]=4 1926 B13R0.345 CCCCC(O)C(=O)NCCC(=O)N 527a_100000740010_100000720857 [0,2,0,0,0,0|2,0,0]=4 1927 B13R0.280 CCCCC/C=C/COCC(C)(C)O 34a_100016258190_100000764493 [0,2,0,0,0,0|1,0,1]=4 1928 B13R0.280 CCCCC/C=C/COCC(C)(C)O 7a_100016258190_100000764493 [0,2,0,0,0,0|1,0,1]=4 1929 B13R0.280 CCCCC/C=C/COCS(=O)(=O)[O-] 34a_100016258190_100009817235 [0,2,0,0,0,0|1,0,1]=4 1930 B13R0.88 CCCC(C)CNCCOCC(=O)O 269956a_100000700818_100011216630 [0,2,0,0,0,0|1,0,1]=4 1931 B13R0.180 CC(C)CCCCNCC(C)C(=O)O 269956a_100000749485_100011216152 [0,2,0,0,0,0|1,0,1]=4 1932 B13R0.180 CC(C)CCCCNCC(F)C(=O)O 269956a_100000084737_100011216152 [0,2,0,0,0,0|1,0,1]=4 1933 B13R0.201 CCC(C)CCCOCCC(=O)OC 7a_100011216074_100000204255 [0,2,0,0,0,0|1,0,1]=4 1934 B13R0.201 CCC(C)CCNCCCC(=O)OC 2230a_100020591266_100011218270 [0,2,0,0,0,0|1,0,1]=4 1935 B13R0.201 CCC(C)CCOCCCC(=O)OC 7a_100011215188_100011218270 [0,2,0,0,0,0|1,0,1]=4 1936 B13R0.201 CCC(O)CNN=CCCC(=O)OC 4a_100015206393_100012047195 [0,2,0,0,0,0|2,0,0]=4 1937 B13R0.208 CCC(C)CCNC(=O)CCC(=O)N 240690a_100020591266_100011215257 [0,2,0,0,0,0|2,0,0]=4 1938 B13R0.208 CCC(C)CCNC(=O)CCC(=O)N 527a_100020591266_100011215257 [0,2,0,0,0,0|2,0,0]=4 1939 B13R0.493 CCC(C)CCC(=O)CCCC(=O)C 1458a_100000701222_100011215641 [0,2,0,0,0,0|1,0,1]=4 1940 B13R0.493 CCC(C)CCC(=O)CCCC(=O)N 1458a_100000701222_100102525003 [0,2,0,0,0,0|1,0,1]=4 1941 B13R0.493 CCC(C)CCC(=O)NCCC(=O)N 11a_100000740010_100000701222 [0,2,0,0,0,0|2,0,0]=4 1942 B13R0.493 CCC(C)CCC(=O)NCCC(=O)N 240690a_100000740010_100000701222 [0,2,0,0,0,0|2,0,0]=4 1943 B13R0.493 CCC(C)CCC(=O)NCCC(=O)N 527a_100000740010_100000701222 [0,2,0,0,0,0|2,0,0]=4 1944 B13R0.493 CCC(O)CCC(=O)NCCC(=O)N 240690a_100000740010_203496584001 [0,2,0,0,0,0|2,0,0]=4 1945 B13R0.1 CC(=O)CCCC(=O)CCCCCO 1458a_100102619762_100011215641 [0,2,0,0,0,0|1,0,1]=4 1946 B13R0.1 CCCCC=CC(=O)CCCC(=O)C 1458a_100016266645_100011215641 [0,2,0,0,0,0|1,0,1]=4 1947 B13R0.1 CCCCC=CC(=O)CCCC(=O)N 1458a_100016266645_100102525003 [0,2,0,0,0,0|1,0,1]=4 1948 B13R0.1 CCCCC=CC(=O)CCNC(=O)C 1458a_100016266645_100000189650 [0,2,0,0,0,0|1,0,1]=4 1949 B13R0.1 CCCCC=CC(=O)CCNC(=O)N 1458a_100016266645_200000034859 [0,2,0,0,0,0|1,0,1]=4 1950 B13R0.1 CCCCC=CC(=O)CCOC(=O)C 1458a_100016266645_100009814007 [0,2,0,0,0,0|1,0,1]=4 1951 B13R0.1 CCCCC=CC(=O)CCOC(=O)N 1458a_100016266645_200011214921 [0,2,0,0,0,0|1,0,1]=4 1952 B13R0.1 CCCCC=CC(=O)NCCC(=O)N 11a_100000740010_100016266645 [0,2,0,0,0,0|1,0,1]=4 1953 B13R0.1 CCCCC=CC(=O)NCCC(=O)N 240690a_100000740010_100016266645 [0,2,0,0,0,0|1,0,1]=4 1954 B13R0.1 CCCCCCC(=O)CCCC(=O)C 1458a_100102632555_100011215641 [0,2,0,0,0,0|1,0,1]=4 1955 B13R0.1 CCCCCCC(=O)CCCC(=O)N 1458a_100102632555_100102525003 [0,2,0,0,0,0|1,0,1]=4 1956 B13R0.1 CCCCCCC(=O)CCNC(=O)C 1458a_100000183196_100000210757 [0,2,0,0,0,0|1,0,1]=4 1957 B13R0.1 CCCCCCC(=O)CCNC(=O)C 1458a_100102632555_100000189650 [0,2,0,0,0,0|1,0,1]=4 1958 B13R0.1 CCCCCCC(=O)CCNC(=O)N 1458a_100000181464_100000210757 [0,2,0,0,0,0|1,0,1]=4 1959 B13R0.1 CCCCCCC(=O)CCNC(=O)N 1458a_100102632555_200000034859 [0,2,0,0,0,0|1,0,1]=4 1960 B13R0.1 CCCCCCC(=O)CCOC(=O)C 1458a_100102632555_100009814007 [0,2,0,0,0,0|1,0,1]=4 1961 B13R0.1 CCCCCCC(=O)CCOC(=O)N 1458a_100102632555_200011214921 [0,2,0,0,0,0|1,0,1]=4 1962 B13R0.1 CCCCCCC(=O)CCSC(=O)C 1458a_100000048949_100000210757 [0,2,0,0,0,0|1,0,1]=4 1963 B13R0.1 CCCCCCC(=O)COCC(=O)N 1458a_100011219004_100000210757 [0,2,0,0,0,0|1,0,1]=4 1964 B13R0.1 CCCCCCC(=O)NCCC(=O)N 11a_100000740010_100102632555 [0,2,0,0,0,0|1,0,1]=4 1965 B13R0.1 CCCCCCC(=O)NCCC(=O)N 240690a_100000740010_100102632555 [0,2,0,0,0,0|1,0,1]=4 1966 B13R0.1 CCCCCCC(=O)NCCC(=O)N 527a_100000740010_100102632555 [0,2,0,0,0,0|1,0,1]=4 1967 B13R0.1 CCCCCCN(C)CCCC(=O)O 269956a_100000719178_100000210757 [0,2,0,0,0,0|0,0,2]=4 1968 B13R0.1 CCCCCNC(=O)CCNC(=O)C 11a_100000209983_100000183196 [0,2,0,0,0,0|2,0,0]=4 1969 B13R0.1 CCCCCNC(=O)CCNC(=O)C 1626a_100000209983_100000183196 [0,2,0,0,0,0|2,0,0]=4 1970 B13R0.1 CCCCCNC(=O)CCNC(=O)C 240690a_100000209983_100000183196 [0,2,0,0,0,0|2,0,0]=4 1971 B13R0.1 CCCCCNC(=O)CCNC(=O)C 527a_100000209983_100000183196 [0,2,0,0,0,0|2,0,0]=4 1972 B13R0.1 CCCCCNC(=O)CCNC(=O)N 240690a_100000209983_100000181464 [0,2,0,0,0,0|2,0,0]=4 1973 B13R0.1 CCCCCNC(=O)CCNC(=O)N 527a_100000209983_100000181464 [0,2,0,0,0,0|2,0,0]=4 1974 B13R0.1 CCCCCNC(=O)CCSC(=O)C 1626a_100000209983_100000048949 [0,2,0,0,0,0|2,0,0]=4 1975 B13R0.1 CCCCCNC(=O)CCSC(=O)C 240690a_100000209983_100000048949 [0,2,0,0,0,0|2,0,0]=4 1976 B13R0.1 CCCCCNC(=O)CNCC(=O)N 2230a_100000711301_100000230301 [0,2,0,0,0,0|2,0,0]=4 1977 B13R0.1 CCCCCNC(=O)CNCC(=O)O 269956a_100016091260_100000230301 [0,2,0,0,0,0|1,0,0]=3 1978 B13R0.1 CCCCCNC(=O)COCC(=O)C 34a_100000211253_100000230301 [0,2,0,0,0,0|2,0,0]=4 1979 B13R0.1 CCCCCNC(=O)COCC(=O)N 1626a_100000209983_100011219004 [0,2,0,0,0,0|2,0,0]=4 1980 B13R0.1 CCCCCNC(=O)COCC(=O)N 240690a_100000209983_100011219004 [0,2,0,0,0,0|2,0,0]=4 1981 B13R0.1 CCCCCNC(=O)COCC(=O)N 527a_100000209983_100011219004 [0,2,0,0,0,0|2,0,0]=4 1982 B13R0.1 CCCCCNC(=O)CSCC(=O)N 11a_100000209983_100000150265 [0,2,0,0,0,0|2,0,0]=4 1983 B13R0.1 CCCCCNC(=O)CSCC(=O)N 240690a_100000209983_100000150265 [0,2,0,0,0,0|2,0,0]=4 1984 B13R0.1 CCCCCNC(=O)CSCC(=O)N 527a_100000209983_100000150265 [0,2,0,0,0,0|2,0,0]=4 1985 B13R0.1 CCCCCNC(=O)CSCC(=O)N 62a_100000230301_100000747473 [0,2,0,0,0,0|2,0,0]=4 1986 B13R0.1 CCCCCNC(=O)CSCC(=O)N 62a_100000747473_100000230301 [0,2,0,0,0,0|2,0,0]=4 1987 B13R0.1 CCCCCNC(=O)CSCC(=O)[O-] 62a_100000230301_100020667443 [0,2,0,0,0,0|1,0,1]=4 1988 B13R0.1 CCCCCNC(=O)CSCC(=O)[O-] 62a_100020667443_100000230301 [0,2,0,0,0,0|1,0,1]=4 1989 B13R0.1 CCCCCNC(=O)NCCC(=O)N 2708a_100000209983_100000740010 [0,2,0,0,0,0|2,0,0]=4 1990 B13R0.1 CCCCCNC(=O)NCCC(=O)N 273464a_100000209983_100000740010 [0,2,0,0,0,0|2,0,0]=4 1991 B13R0.1 CCCCCNC(=O)NCCC(=O)N 273464a_100000740010_100000209983 [0,2,0,0,0,0|2,0,0]=4 1992 B13R0.1 CCCCCNC(=O)NCCC(=O)N 512a_100000209983_100000740010 [0,2,0,0,0,0|2,0,0]=4 1993 B13R0.1 CCCCNCC(=O)NCCC(=O)N 2230a_200138414118_100000210211 [0,2,0,0,0,0|2,0,0]=4 1994 B13R0.1 CCCCOCC(=O)CCCC(=O)C 1458a_100000757543_100011215641 [0,2,0,0,0,0|1,0,1]=4 1995 B13R0.1 CCCCOCC(=O)CCCC(=O)N 1458a_100000757543_100102525003 [0,2,0,0,0,0|1,0,1]=4 1996 B13R0.1 CCCCOCC(=O)NCCC(=O)N 11a_100000740010_100000757543 [0,2,0,0,0,0|2,0,0]=4 1997 B13R0.1 CCCCOCC(=O)NCCC(=O)N 240690a_100000740010_100000757543 [0,2,0,0,0,0|2,0,0]=4 1998 B13R0.1 CCCCOCC(=O)NCCC(=O)N 527a_100000740010_100000757543 [0,2,0,0,0,0|2,0,0]=4 1999 B13R0.1 CCCCOCN(C)CCCC(=O)O 269956a_100000719178_100011995733 [0,2,0,0,0,0|1,0,1]=4 2000 B13R0.1 CCCCSCC(=O)CCCC(=O)C 1458a_100000191162_100011215641 [0,2,0,0,0,0|1,0,1]=4 2001 B13R0.1 CCCCSCC(=O)CCCC(=O)N 1458a_100000191162_100102525003 [0,2,0,0,0,0|1,0,1]=4 2002 B13R0.1 CCCCSCC(=O)NCCC(=O)N 11a_100000740010_100000191162 [0,2,0,0,0,0|2,0,0]=4 2003 B13R0.1 CCCCSCC(=O)NCCC(=O)N 240690a_100000740010_100000191162 [0,2,0,0,0,0|2,0,0]=4 2004 B13R0.1 CCCCSCC(=O)NCCC(=O)N 527a_100000740010_100000191162 [0,2,0,0,0,0|2,0,0]=4 2005 B13R0.1 CCCOCCN(C)CCCC(=O)O 269956a_100000719178_100011215938 [0,2,0,0,0,0|1,0,1]=4 2006 B13R0.1 CCOCCCN(C)CCCC(=O)O 269956a_100000719178_100012232248 [0,2,0,0,0,0|1,0,1]=4 2007 B13R0.1 CCOCCOC(=O)CNCC(=O)O 269956a_100016091260_200000101388 [0,2,0,0,0,0|2,0,0]=4 2008 B13R0.1 CN(CCCCCF)CCCC(=O)O 269956a_100000719178_100000729378 [0,2,0,0,0,0|1,0,1]=4 2009 B13R0.1 CN(CCCCCO)CCCC(=O)O 269956a_100000719178_100000746330 [0,2,0,0,0,0|1,0,1]=4 2010 B13R0.1 COCCCCN(C)CCCC(=O)O 269956a_100000719178_100000730899 [0,2,0,0,0,0|1,0,1]=4 2011 B13R0.1 COCCCNC(=O)CNCC(=O)O 269956a_100016091260_100000183178 [0,2,0,0,0,0|2,0,0]=4 2012 B13R0.1 NC(=O)CCCC(=O)CCCCCO 1458a_100102619762_100102525003 [0,2,0,0,0,0|1,0,1]=4 2013 B13R0.1 NC(=O)CCNC(=O)CCCCCO 240690a_100000740010_100102619762 [0,2,0,0,0,0|2,0,0]=4 2014 B13R0.139 CCCCCC(=O)N(C)CCC(=O)N 11a_100000730477_100000212188 [0,2,0,0,0,0|2,0,0]=4 2015 B13R0.139 CCCCCC(=O)N(C)CCC(=O)N 240690a_100000730477_100000212188 [0,2,0,0,0,0|2,0,0]=4 2016 B13R0.139 CCCCCC(=O)N(C)CCC(=O)N 527a_100000730477_100000212188 [0,2,0,0,0,0|2,0,0]=4 2017 B13R0.139 CCCCCC(C)C(=O)CCC(=O)N 1458a_100011215257_200011218191 [0,2,0,0,0,0|1,0,1]=4 2018 B13R0.139 CCCCCN(C)C(=O)CCC(=O)N 240690a_100000223495_100011215257 [0,2,0,0,0,0|2,0,0]=4 2019 B13R0.139 CCCCCN(C)C(=O)CCC(=O)N 527a_100000223495_100011215257 [0,2,0,0,0,0|2,0,0]=4 2020 B13R0.194 CCCCCC(=O)CCCC(=O)NC 1458a_100000212188_100000741757 [0,2,0,0,0,0|1,0,1]=4 2021 B13R0.194 CCCCCC(=O)CCCC(=O)OC 1458a_100000212188_100011218270 [0,2,0,0,0,0|0,0,1]=3 2022 B13R0.194 CCCCCC(=O)CCCC(=O)OC 1458a_100000239890_100000210326 [0,2,0,0,0,0|0,0,1]=3 2023 B13R0.194 CCCCCC(=O)CSCC(=O)OC 1458a_100000191316_100000210326 [0,2,0,0,0,0|1,0,1]=4 2024 B13R0.194 CCCCCC(=O)CSCC(=O)OC 62a_100000747449_200012276598 [0,2,0,0,0,0|1,0,1]=4 2025 B13R0.194 CCCCCC(=O)CSCC(=O)OC 62a_200012276598_100000747449 [0,2,0,0,0,0|1,0,1]=4 2026 B13R0.194 CCCCCC(=O)NCCC(=O)NC 11a_100000738227_100000212188 [0,2,0,0,0,0|2,0,0]=4 2027 B13R0.194 CCCCCC(=O)NCCC(=O)NC 240690a_100000738227_100000212188 [0,2,0,0,0,0|2,0,0]=4 2028 B13R0.194 CCCCCC(=O)NCCC(=O)NC 527a_100000738227_100000212188 [0,2,0,0,0,0|2,0,0]=4 2029 B13R0.194 CCCCCC(=O)NCCC(=O)OC 188690a_100000683876_100000212188 [0,2,0,0,0,0|1,0,0]=3 2030 B13R0.194 CCCCCC(C)NCCC(=O)OC 2230a_100000211957_100000204255 [0,2,0,0,0,0|1,0,1]=4 2031 B13R0.194 CCCCCC(C)OCCC(=O)OC 34a_100011215632_100000742370 [0,2,0,0,0,0|1,0,1]=4 2032 B13R0.194 CCCCCC(C)OCCC(=O)OC 7a_100011215632_100000204255 [0,2,0,0,0,0|1,0,1]=4 2033 B13R0.194 CCCCCC(C)SCCC(=O)OC 62a_100000204255_200011218191 [0,2,0,0,0,0|1,0,1]=4 2034 B13R0.194 CCCCCC(C)SCCC(=O)OC 62a_200011218191_100000204255 [0,2,0,0,0,0|1,0,1]=4 2035 B13R0.194 CCCCCN(C)CCCC(=O)OC 2230a_100000223495_100011218270 [0,2,0,0,0,0|1,0,1]=4 2036 B13R0.194 CCCCCN(C)CCCC(=O)OC 269982a_100000223495_100011218270 [0,2,0,0,0,0|1,0,1]=4 2037 B13R0.194 CCCCCN(C)CCCC(=O)OC 269982a_100000739225_100000210215 [0,2,0,0,0,0|1,0,1]=4 2038 B13R0.194 CCCCNC(=O)CCCC(=O)OC 11a_100000102301_100000239890 [0,2,0,0,0,0|1,0,1]=4 2039 B13R0.194 CCCCNC(=O)CCCC(=O)OC 1626a_100000102301_100000239890 [0,2,0,0,0,0|1,0,1]=4 2040 B13R0.194 CCCCNC(=O)CCCC(=O)OC 240690a_100000102301_100000239890 [0,2,0,0,0,0|1,0,1]=4 2041 B13R0.194 CCCCNC(=O)CCCC(=O)OC 527a_100000102301_100000239890 [0,2,0,0,0,0|1,0,1]=4 2042 B13R0.194 CCCOCC(=O)CCCC(=O)OC 1458a_100000745993_100011218270 [0,2,0,0,0,0|1,0,1]=4 2043 B13R0.194 CCCOCC(=O)NCCC(=O)OC 188690a_100000683876_100000745993 [0,2,0,0,0,0|2,0,0]=4 2044 B13R0.194 CCCOCC(=O)NCCC(=O)OC 34a_100000210258_100000230212 [0,2,0,0,0,0|2,0,0]=4 2045 B13R0.194 CCCSCC(=O)CCCC(=O)OC 1458a_100000217233_100011218270 [0,2,0,0,0,0|1,0,1]=4 2046 B13R0.194 CCCSCC(=O)NCCC(=O)OC 188690a_100000683876_100000217233 [0,2,0,0,0,0|2,0,0]=4 2047 B13R0.194 CCCSCC(=O)NCCC(=O)OC 62a_100000210303_100000230212 [0,2,0,0,0,0|2,0,0]=4 2048 B13R0.194 CCCSCC(=O)NCCC(=O)OC 62a_100000230212_100000210303 [0,2,0,0,0,0|2,0,0]=4 2049 B13R0.194 CCOCCC(=O)CCCC(=O)OC 1458a_100000239890_100011215890 [0,2,0,0,0,0|1,0,1]=4 2050 B13R0.194 CCOCCC(=O)CCCC(=O)OC 1458a_100000749530_100011218270 [0,2,0,0,0,0|1,0,1]=4 2051 B13R0.194 CCOCCC(=O)NCCC(=O)OC 188690a_100000683876_100000749530 [0,2,0,0,0,0|2,0,0]=4 2052 B13R0.194 CCSCCC(=O)CCCC(=O)OC 1458a_100000230768_100011218270 [0,2,0,0,0,0|1,0,1]=4 2053 B13R0.194 CCSCCC(=O)CCCC(=O)OC 1458a_100000239890_100000757381 [0,2,0,0,0,0|1,0,1]=4 2054 B13R0.194 CCSCCC(=O)NCCC(=O)OC 188690a_100000683876_100000230768 [0,2,0,0,0,0|2,0,0]=4 2055 B13R0.194 COC(=O)CCCC(=O)CCCCF 1458a_100000239890_100000729493 [0,2,0,0,0,0|1,0,1]=4 2056 B13R0.194 COC(=O)CCCC(=O)CCCCO 1458a_100000239890_100000210776 [0,2,0,0,0,0|1,0,1]=4 2057 B13R0.194 COC(=O)CCCC(=O)CCCCO 1458a_100000695505_100011218270 [0,2,0,0,0,0|1,0,1]=4 2058 B13R0.194 COC(=O)CCCC(=O)CCCSC 1458a_100000173376_100011218270 [0,2,0,0,0,0|1,0,1]=4 2059 B13R0.194 COC(=O)CCNC(=O)CCCCO 188690a_100000683876_100000695505 [0,2,0,0,0,0|2,0,0]=4 2060 B13R0.194 COC(=O)CCNC(=O)CCCSC 188690a_100000683876_100000173376 [0,2,0,0,0,0|2,0,0]=4 2061 B13R0.194 COCCCC(=O)CCCC(=O)OC 1458a_100000239890_100000740836 [0,2,0,0,0,0|1,0,1]=4 2062 B13R0.194 COCCCC(=O)CCCC(=O)OC 1458a_100000741012_100011218270 [0,2,0,0,0,0|1,0,1]=4 2063 B13R0.194 COCCCC(=O)NCCC(=O)OC 188690a_100000683876_100000741012 [0,2,0,0,0,0|2,0,0]=4 2064 B13R0.331 CCCC(C)CC(=O)CCCC(=O)C 1458a_100000748435_100011215641 [0,2,0,0,0,0|1,0,1]=4 2065 B13R0.331 CCCC(C)CC(=O)CCCC(=O)N 1458a_100000748435_100102525003 [0,2,0,0,0,0|1,0,1]=4 2066 B13R0.331 CCCC(C)CC(=O)NCCC(=O)N 11a_100000740010_100000748435 [0,2,0,0,0,0|2,0,0]=4 2067 B13R0.331 CCCC(C)CC(=O)NCCC(=O)N 240690a_100000740010_100000748435 [0,2,0,0,0,0|2,0,0]=4 2068 B13R0.331 CCCC(C)CC(=O)NCCC(=O)N 527a_100000740010_100000748435 [0,2,0,0,0,0|2,0,0]=4 2069 B13R0.331 CCCC(C)CN(C)CCCC(=O)O 269956a_100000719178_100011216630 [0,2,0,0,0,0|1,0,1]=4 2070 B13R0.339 CCCCCC(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_200012276598 [0,2,0,0,0,0|1,0,1]=4 2071 B13R0.339 CCCCCC(C)NCC(C)C(=O)O 269956a_100000749485_200011218191 [0,2,0,0,0,0|1,0,1]=4 2072 B13R0.339 CCCCCC(C)NCC(F)C(=O)O 269956a_100000084737_200011218191 [0,2,0,0,0,0|1,0,1]=4 2073 B13R0.1398 CC(=O)CCCC(=O)CCCC(C)C 1458a_100011216857_100011215641 [0,2,0,0,0,0|1,0,1]=4 2074 B13R0.1398 CC(C)CCCC(=O)CCCC(=O)N 1458a_100011216857_100102525003 [0,2,0,0,0,0|1,0,1]=4 2075 B13R0.1398 CC(C)CCCC(=O)NCCC(=O)N 11a_100000740010_100011216857 [0,2,0,0,0,0|2,0,0]=4 2076 B13R0.1398 CC(C)CCCC(=O)NCCC(=O)N 240690a_100000740010_100011216857 [0,2,0,0,0,0|2,0,0]=4 2077 B13R0.1398 CC(C)CCCC(=O)NCCC(=O)N 527a_100000740010_100011216857 [0,2,0,0,0,0|2,0,0]=4 2078 B13R0.1398 CC(C)CCCN(C)CCCC(=O)O 269956a_100000719178_100011214892 [0,2,0,0,0,0|1,0,1]=4 2079 B13R0.1398 CC(O)CCCC(=O)NCCC(=O)N 527a_100000740010_100000761597 [0,2,0,0,0,0|2,0,0]=4 2080 B13R0.1398 CC(O)CCCN(C)CCCC(=O)O 269956a_100000719178_200000718107 [0,2,0,0,0,0|1,0,1]=4 2081 B13R0.54 C=C(C)CCOC/C=C/CCCCC 34a_100016258190_100000730704 [0,2,0,0,0,0|2,0,0]=4 2082 B13R0.54 C=C(C)CCOC/C=C/CCCCC 7a_100016258190_100000730704 [0,2,0,0,0,0|2,0,0]=4 2083 B13R0.54 C=C(C)COC/C=C/CCCCCC 34a_200016276170_100000748629 [0,2,0,0,0,0|2,0,0]=4 2084 B13R0.54 C=C(C)COC/C=C/CCCCCC 7a_200016276170_100000748629 [0,2,0,0,0,0|2,0,0]=4 2085 B13R0.54 C=C(C)COCC/C=C\CCCCC 34a_100016277358_100000748629 [0,2,0,0,0,0|2,0,0]=4 2086 B13R0.54 C=C(C)COCC/C=C\CCCCC 7a_100016277358_100000748629 [0,2,0,0,0,0|2,0,0]=4 2087 B13R0.54 C=C(F)COC/C=C/CCCCCC 34a_200016276170_100009893438 [0,2,0,0,0,0|2,0,0]=4 2088 B13R0.54 C=C(F)COC/C=C/CCCCCC 7a_200016276170_100000042424 [0,2,0,0,0,0|2,0,0]=4 2089 B13R0.54 C=C(F)COCC/C=C\CCCCC 34a_100016277358_100009893438 [0,2,0,0,0,0|2,0,0]=4 2090 B13R0.54 C=C(F)COCC/C=C\CCCCC 7a_100016277358_100000042424 [0,2,0,0,0,0|2,0,0]=4 2091 B13R0.54 CC/C=C/CC/C=C/COCC(=O)N 34a_100016264143_100000187820 [0,2,0,0,0,0|1,0,1]=4 2092 B13R0.54 CC/C=C/CC/C=C/COCC(=O)N 7a_100016264143_100000187820 [0,2,0,0,0,0|1,0,1]=4 2093 B13R0.54 CC/C=C/CC/C=C/COCC(=O)[O-] 34a_100016264143_100020667443 [0,2,0,0,0,0|0,0,2]=4 2094 B13R0.54 CCCCC/C=C/COCC=C(C)C 34a_100016258190_100000761012 [0,2,0,0,0,0|2,0,0]=4 2095 B13R0.54 CCCCC/C=C/COCC=C(C)C 7a_100016258190_100000761012 [0,2,0,0,0,0|2,0,0]=4 2096 B13R0.54 CCCCC/C=C/COCCC(=O)C 7a_100016258190_100000053229 [0,2,0,0,0,0|1,0,0]=3 2097 B13R0.54 CCCCC/C=C/COCCC(=O)N 34a_100016258190_100000731001 [0,2,0,0,0,0|1,0,0]=3 2098 B13R0.54 CCCCC/C=C/COCCC(=O)N 7a_100016258190_100000744528 [0,2,0,0,0,0|1,0,0]=3 2099 B13R0.54 CCCCC/C=C/COCCC(C)O 34a_100016258190_100012276601 [0,2,0,0,0,0|1,0,1]=4 2100 B13R0.54 CCCCC/C=C/COCCC(C)O 7a_100016258190_100012276601 [0,2,0,0,0,0|1,0,1]=4 2101 B13R0.54 CCCCC/C=C/COCOC(=O)C 34a_100016258190_100009813279 [0,2,0,0,0,0|1,0,0]=3 2102 B13R0.54 CCCCC/C=C\CCOCC(=O)N 34a_100016277358_100000187820 [0,2,0,0,0,0|1,0,0]=3 2103 B13R0.54 CCCCC/C=C\CCOCC(=O)N 7a_100016277358_100000187820 [0,2,0,0,0,0|1,0,0]=3 2104 B13R0.54 CCCCC/C=C\CCOCC(=O)[O-] 34a_100016277358_100020667443 [0,2,0,0,0,0|0,0,1]=3 2105 B13R0.54 CCCCC/C=C\CCOCC(C)O 34a_100016277358_100011218427 [0,2,0,0,0,0|1,0,1]=4 2106 B13R0.54 CCCCC/C=C\CCOCC(C)O 7a_100016277358_100011218427 [0,2,0,0,0,0|1,0,1]=4 2107 B13R0.54 CCCCC/C=C\CCOC[C@@H](C)O 34a_100016277358_100009817552 [0,2,0,0,0,0|1,0,1]=4 2108 B13R0.54 CCCCC/C=C\CCOC[C@@H](C)O 7a_100016277358_100009817552 [0,2,0,0,0,0|1,0,1]=4 2109 B13R0.54 CCCCC/C=C\CCOC[N+](=O)[O-] 34a_100016277358_100000761209 [0,2,0,0,0,0|1,0,1]=4 2110 B13R0.54 CCCCCC#CCNOCC(=O)O 269956a_100000106656_100009816472 [0,2,0,0,0,0|0,0,2]=4 2111 B13R0.54 CCCCCC/C=C/COCC(=O)N 34a_200016276170_100000187820 [0,2,0,0,0,0|1,0,0]=3 2112 B13R0.54 CCCCCC/C=C/COCC(=O)N 7a_200016276170_100000187820 [0,2,0,0,0,0|1,0,0]=3 2113 B13R0.54 CCCCCC/C=C/COCC(=O)[O-] 34a_200016276170_100020667443 [0,2,0,0,0,0|0,0,1]=3 2114 B13R0.54 CCCCCC/C=C/COCC(C)O 34a_200016276170_100011218427 [0,2,0,0,0,0|1,0,1]=4 2115 B13R0.54 CCCCCC/C=C/COCC(C)O 7a_200016276170_100011218427 [0,2,0,0,0,0|1,0,1]=4 2116 B13R0.54 CCCCCC/C=C/COC[C@@H](C)O 34a_200016276170_100009817552 [0,2,0,0,0,0|1,0,1]=4 2117 B13R0.54 CCCCCC/C=C/COC[C@@H](C)O 7a_200016276170_100009817552 [0,2,0,0,0,0|1,0,1]=4 2118 B13R0.54 CCCCCC/C=C/COC[N+](=O)[O-] 34a_200016276170_100000761209 [0,2,0,0,0,0|1,0,1]=4 2119 B13R0.54 CCCCCCCCCNCC(=O)O 269956a_100016091260_100000210670 [0,2,0,0,0,0|0,0,2]=4 2120 B13R0.54 CCCCCCCCNOCC(=O)O 269956a_100000106656_100000210759 [0,2,0,0,0,0|0,0,2]=4 2121 B13R0.54 CCCCCCNCCOCC(=O)O 269956a_100000700818_100000210757 [0,2,0,0,0,0|0,0,2]=4 2122 B13R0.54 CCCCOCNCCOCC(=O)O 269956a_100000700818_100011995733 [0,2,0,0,0,0|1,0,1]=4 2123 B13R0.54 CCCNCCOCCOCC(=O)O 269956a_100009854275_100000210207 [0,2,0,0,0,0|1,0,1]=4 2124 B13R0.54 CCCOCCNCCOCC(=O)O 269956a_100000700818_100011215938 [0,2,0,0,0,0|1,0,1]=4 2125 B13R0.54 CCOCCCNCCOCC(=O)O 269956a_100000700818_100012232248 [0,2,0,0,0,0|1,0,1]=4 2126 B13R0.54 COCCCCNCCOCC(=O)O 269956a_100000700818_100000730899 [0,2,0,0,0,0|1,0,1]=4 2127 B13R0.54 O=C(O)CNCCCCCCCCO 269956a_100016091260_100000033203 [0,2,0,0,0,0|0,0,2]=4 2128 B13R0.54 O=C(O)COCCNCCCCCF 269956a_100000700818_100000729378 [0,2,0,0,0,0|1,0,1]=4 2129 B13R0.54 O=C(O)COCCNCCCCCO 269956a_100000700818_100000746330 [0,2,0,0,0,0|1,0,1]=4 2130 B13R0.119 CCCCC(C)NCCOCC(=O)O 269956a_100000700818_200011215066 [0,2,0,0,0,0|1,0,1]=4 2131 B13R0.147 C=C(C#N)COC/C=C/CCCCC 34a_100016258190_100000694840 [0,2,0,0,0,0|2,0,0]=4 2132 B13R0.147 C=CC(O)COC/C=C/CCCCC 34a_100016258190_100000730141 [0,2,0,0,0,0|1,0,1]=4 2133 B13R0.147 C=CC(O)COC/C=C/CCCCC 7a_100016258190_100000730141 [0,2,0,0,0,0|1,0,1]=4 2134 B13R0.147 C=CCCC/C=C/COCC(=O)OC 34a_200016268473_100000747449 [0,2,0,0,0,0|0,0,2]=4 2135 B13R0.147 C=CCCC/C=C/COCC(=O)OC 7a_200016268473_100000747449 [0,2,0,0,0,0|0,0,2]=4 2136 B13R0.147 CCC/C=C/C=C/COCC(=O)OC 34a_100016294078_100000747449 [0,2,0,0,0,0|0,0,2]=4 2137 B13R0.147 CCCC/C=C/COCCC(=O)OC 34a_200016272032_100000742370 [0,2,0,0,0,0|0,0,2]=4 2138 B13R0.147 CCCC/C=C/COCCC(=O)OC 7a_200016272032_100000204255 [0,2,0,0,0,0|0,0,2]=4 2139 B13R0.147 CCCC/C=C\CCOCC(=O)OC 34a_200016286491_100000747449 [0,2,0,0,0,0|0,0,2]=4 2140 B13R0.147 CCCC/C=C\CCOCC(=O)OC 7a_200016286491_100000747449 [0,2,0,0,0,0|0,0,2]=4 2141 B13R0.147 CCCCC/C=C/COCC(=O)CC 7a_100016258190_100000747405 [0,2,0,0,0,0|1,0,0]=3 2142 B13R0.147 CCCCC/C=C/COCC(=O)NC 34a_100016258190_100000183359 [0,2,0,0,0,0|1,0,0]=3 2143 B13R0.147 CCCCC/C=C/COCC(=O)NC 7a_100016258190_100000183359 [0,2,0,0,0,0|1,0,0]=3 2144 B13R0.147 CCCCC/C=C/COCC(=O)OC 34a_100016258190_100000747449 [0,2,0,0,0,0|0,0,0]=2 2145 B13R0.147 CCCCC/C=C/COCC(=O)OC 7a_100016258190_100000747449 [0,2,0,0,0,0|0,0,0]=2 2146 B13R0.147 CCCCC/C=C/COCC(O)CC 34a_100016258190_100011218378 [0,2,0,0,0,0|1,0,1]=4 2147 B13R0.147 CCCCC/C=C/COCC(O)CC 7a_100016258190_100011218378 [0,2,0,0,0,0|1,0,1]=4 2148 B13R0.147 CCCCC/C=C/COCC(O)CO 34a_100016258190_100011219619 [0,2,0,0,0,0|0,0,2]=4 2149 B13R0.147 CCCCC/C=C/COCC(O)CO 7a_100016258190_100011219619 [0,2,0,0,0,0|0,0,2]=4 2150 B13R0.147 CCCCC/C=C/COC[C@@H](C)CO 34a_100016258190_100000059175 [0,2,0,0,0,0|1,0,1]=4 2151 B13R0.147 CCCCC/C=C/COC[C@@H](C)CO 7a_100016258190_100000059175 [0,2,0,0,0,0|1,0,1]=4 2152 B13R0.147 CCCCC/C=C/COC[C@@H](O)CF 34a_100016258190_100015614560 [0,2,0,0,0,0|1,0,1]=4 2153 B13R0.147 CCCCC/C=C/COC[C@@H](O)CF 7a_100016258190_100015614560 [0,2,0,0,0,0|1,0,1]=4 2154 B13R0.147 CCCCC/C=C/COC[C@@H](O)CO 34a_100016258190_100009815848 [0,2,0,0,0,0|0,0,2]=4 2155 B13R0.147 CCCCC/C=C/COC[C@@H](O)CO 7a_100016258190_100009815848 [0,2,0,0,0,0|0,0,2]=4 2156 B13R0.147 CCCCC/C=C\CCOC(C)CO 34a_100016277358_100012180447 [0,2,0,0,0,0|1,0,1]=4 2157 B13R0.147 CCCCC/C=C\CCOC(C)CO 7a_100016277358_100012180447 [0,2,0,0,0,0|1,0,1]=4 2158 B13R0.147 CCCCCC#CCOCC(=O)OC 34a_200000033628_100000747449 [0,2,0,0,0,0|0,0,2]=4 2159 B13R0.147 CCCCCC#CCOCC(=O)OC 7a_200000033628_100000747449 [0,2,0,0,0,0|0,0,2]=4 2160 B13R0.147 CCCCCC#CCSCC(=O)OC 62a_100000747449_100009816472 [0,2,0,0,0,0|0,0,2]=4 2161 B13R0.147 CCCCCC#CCSCC(=O)OC 62a_100009816472_100000747449 [0,2,0,0,0,0|0,0,2]=4 2162 B13R0.147 CCCCCCCCCCC(=O)CO 1458a_100000210174_100000210319 [0,2,0,0,0,0|0,0,2]=4 2163 B13R0.147 CCCCCCCCCNC(=O)CO 240690a_100000212291_100000210174 [0,2,0,0,0,0|0,0,2]=4 2164 B13R0.147 CCCCCCCCCNC(=O)CO 527a_100000212291_100000210174 [0,2,0,0,0,0|0,0,2]=4 2165 B13R0.147 CCCCCCCCNCC(=O)OC 2230a_100000229939_100000747449 [0,2,0,0,0,0|0,0,2]=4 2166 B13R0.147 CCCCCCCCNCC(=O)OC 34a_100000229939_100000747449 [0,2,0,0,0,0|0,0,2]=4 2167 B13R0.147 CCCCCCCCOCC(=O)OC 34a_100000210232_100000747449 [0,2,0,0,0,0|0,0,2]=4 2168 B13R0.147 CCCCCCCCOCC(=O)OC 7a_100000210232_100000747449 [0,2,0,0,0,0|0,0,2]=4 2169 B13R0.147 CCCCCCCCSCC(=O)OC 62a_100000210759_100000747449 [0,2,0,0,0,0|0,0,2]=4 2170 B13R0.147 CCCCCCCCSCC(=O)OC 62a_100000747449_100000210317 [0,2,0,0,0,0|0,0,2]=4 2171 B13R0.147 CCCCCCCNCCC(=O)OC 2230a_100000229938_100000204255 [0,2,0,0,0,0|0,0,2]=4 2172 B13R0.147 CCCCCCCOCCC(=O)OC 34a_100000210272_100000742370 [0,2,0,0,0,0|0,0,2]=4 2173 B13R0.147 CCCCCCCOCCC(=O)OC 7a_100000210272_100000204255 [0,2,0,0,0,0|0,0,2]=4 2174 B13R0.147 CCCCCCCSCCC(=O)OC 62a_100000204255_100000210316 [0,2,0,0,0,0|0,0,2]=4 2175 B13R0.147 CCCCCCCSCCC(=O)OC 62a_100000210614_100000204255 [0,2,0,0,0,0|0,0,2]=4 2176 B13R0.147 CCCCCCNCCCC(=O)OC 2230a_100000210581_100011218270 [0,2,0,0,0,0|0,0,2]=4 2177 B13R0.147 CCCCCCOCCCC(=O)OC 34a_100000210259_100000742333 [0,2,0,0,0,0|0,0,2]=4 2178 B13R0.147 CCCCCCOCCCC(=O)OC 7a_100000210259_100011218270 [0,2,0,0,0,0|0,0,2]=4 2179 B13R0.147 CCCCCCOCCNC(=O)OC 34a_100000757965_100000210314 [0,2,0,0,0,0|1,0,1]=4 2180 B13R0.147 CCCCCCOCCOC(=O)OC 34a_100010262106_100000210314 [0,2,0,0,0,0|1,0,1]=4 2181 B13R0.147 CCCCCCSCCCC(=O)OC 62a_100000210314_100011218270 [0,2,0,0,0,0|0,0,2]=4 2182 B13R0.147 CCCCCCSCCCC(=O)OC 62a_100011218270_100000210757 [0,2,0,0,0,0|0,0,2]=4 2183 B13R0.147 CCCCCNCCCCC(=O)OC 2230a_100000209983_100000204269 [0,2,0,0,0,0|0,0,2]=4 2184 B13R0.147 CCCCCNCCOCC(=O)OC 2230a_100000209983_100000090808 [0,2,0,0,0,0|1,0,1]=4 2185 B13R0.147 CCCCCNCCOCC(=O)OC 34a_100000224656_100000747449 [0,2,0,0,0,0|1,0,1]=4 2186 B13R0.147 CCCCCNN=CCCC(=O)OC 4a_100000694160_100012047195 [0,2,0,0,0,0|1,0,0]=3 2187 B13R0.147 CCCCCOCCCCC(=O)OC 34a_100000059025_100000718602 [0,2,0,0,0,0|0,0,2]=4 2188 B13R0.147 CCCCCOCCCCC(=O)OC 34a_100000210253_100000204269 [0,2,0,0,0,0|0,0,2]=4 2189 B13R0.147 CCCCCOCCCCC(=O)OC 7a_100000059025_100000210326 [0,2,0,0,0,0|0,0,2]=4 2190 B13R0.147 CCCCCOCCCCC(=O)OC 7a_100000210253_100000204269 [0,2,0,0,0,0|0,0,2]=4 2191 B13R0.147 CCCCCOCCOCC(=O)OC 34a_100000210253_100000090808 [0,2,0,0,0,0|1,0,1]=4 2192 B13R0.147 CCCCCOCCOCC(=O)OC 34a_100011215259_100000747449 [0,2,0,0,0,0|1,0,1]=4 2193 B13R0.147 CCCCCOCCOCC(=O)OC 7a_100000210253_100000090808 [0,2,0,0,0,0|1,0,1]=4 2194 B13R0.147 CCCCCOCCOCC(=O)OC 7a_100011215259_100000747449 [0,2,0,0,0,0|1,0,1]=4 2195 B13R0.147 CCCCCSCCCCC(=O)OC 62a_100000204269_100000210326 [0,2,0,0,0,0|0,0,2]=4 2196 B13R0.147 CCCCCSCCCCC(=O)OC 62a_100000210326_100000204269 [0,2,0,0,0,0|0,0,2]=4 2197 B13R0.147 CCCCCSCCOCC(=O)OC 62a_100000090808_100000210326 [0,2,0,0,0,0|1,0,1]=4 2198 B13R0.147 CCCCCSCCOCC(=O)OC 62a_100000210326_100000090808 [0,2,0,0,0,0|1,0,1]=4 2199 B13R0.147 CCCCNCCCCCC(=O)OC 2230a_100000102301_100009816466 [0,2,0,0,0,0|0,0,2]=4 2200 B13R0.147 CCCCNCCCCCC(=O)OC 7a_106832991798_100009816466 [0,2,0,0,0,0|0,0,2]=4 2201 B13R0.147 CCCCNN=CCCCC(=O)OC 4a_100025702795_100000094087 [0,2,0,0,0,0|1,0,1]=4 2202 B13R0.147 CCCCOCCCCCC(=O)OC 34a_100000074720_100000210210 [0,2,0,0,0,0|0,0,2]=4 2203 B13R0.147 CCCCOCCCCCC(=O)OC 34a_100000210227_100009816466 [0,2,0,0,0,0|0,0,2]=4 2204 B13R0.147 CCCCOCCCCCC(=O)OC 7a_100000074720_100000210211 [0,2,0,0,0,0|0,0,2]=4 2205 B13R0.147 CCCCOCCCCCC(=O)OC 7a_100000210227_100009816466 [0,2,0,0,0,0|0,0,2]=4 2206 B13R0.147 CCCCOCCOCCC(=O)OC 34a_100000210238_100000742370 [0,2,0,0,0,0|1,0,1]=4 2207 B13R0.147 CCCCOCCOCCC(=O)OC 7a_100000210238_100000204255 [0,2,0,0,0,0|1,0,1]=4 2208 B13R0.147 CCCCOCCSCCC(=O)OC 62a_100000204255_100000743108 [0,2,0,0,0,0|1,0,1]=4 2209 B13R0.147 CCCCOCCSCCC(=O)OC 62a_100000743108_100000204255 [0,2,0,0,0,0|1,0,1]=4 2210 B13R0.147 CCCCOCSCCCC(=O)OC 62a_100011218270_100011995733 [0,2,0,0,0,0|1,0,1]=4 2211 B13R0.147 CCCCOCSCCCC(=O)OC 62a_100011995733_100011218270 [0,2,0,0,0,0|1,0,1]=4 2212 B13R0.147 CCCCSCCCCCC(=O)OC 62a_100000210211_100009816466 [0,2,0,0,0,0|0,0,2]=4 2213 B13R0.147 CCCCSCCCCCC(=O)OC 62a_100009816466_100000210210 [0,2,0,0,0,0|0,0,2]=4 2214 B13R0.147 CCCCSCCNCCC(=O)OC 2230a_100025743550_100000204255 [0,2,0,0,0,0|1,0,1]=4 2215 B13R0.147 CCCCSCCOCCC(=O)OC 34a_200000230436_100000742370 [0,2,0,0,0,0|1,0,1]=4 2216 B13R0.147 CCCCSCCOCCC(=O)OC 7a_200000230436_100000204255 [0,2,0,0,0,0|1,0,1]=4 2217 B13R0.147 CCCOCCCCCCC(=O)OC 34a_100000210258_100009815986 [0,2,0,0,0,0|0,0,2]=4 2218 B13R0.147 CCCOCCCCCCC(=O)OC 34a_100009863599_100000210303 [0,2,0,0,0,0|0,0,2]=4 2219 B13R0.147 CCCOCCCCCCC(=O)OC 7a_100009863599_100000210303 [0,2,0,0,0,0|0,0,2]=4 2220 B13R0.147 CCCOCCCNCCC(=O)OC 2230a_100011217757_100000204255 [0,2,0,0,0,0|1,0,1]=4 2221 B13R0.147 CCCOCCCNCCC(=O)OC 34a_100011217757_100000742370 [0,2,0,0,0,0|1,0,1]=4 2222 B13R0.147 CCCOCCNCCCC(=O)OC 2230a_100161115042_100011218270 [0,2,0,0,0,0|1,0,1]=4 2223 B13R0.147 CCCOCCNCCCC(=O)OC 34a_100161115042_100000742333 [0,2,0,0,0,0|1,0,1]=4 2224 B13R0.147 CCCOCCOCCCC(=O)OC 34a_100000752267_100000742333 [0,2,0,0,0,0|1,0,1]=4 2225 B13R0.147 CCCOCCOCCCC(=O)OC 7a_100000752267_100011218270 [0,2,0,0,0,0|1,0,1]=4 2226 B13R0.147 CCCOCCSCCCC(=O)OC 62a_100011215938_100011218270 [0,2,0,0,0,0|1,0,1]=4 2227 B13R0.147 CCCOCCSCCCC(=O)OC 62a_100011218270_100011215938 [0,2,0,0,0,0|1,0,1]=4 2228 B13R0.147 CCCSCCCCCCC(=O)OC 62a_100000210303_100009815986 [0,2,0,0,0,0|0,0,2]=4 2229 B13R0.147 CCCSCCCCCCC(=O)OC 62a_100009815986_100000210303 [0,2,0,0,0,0|0,0,2]=4 2230 B13R0.147 CCCSCCNCCCC(=O)OC 2230a_100020603323_100011218270 [0,2,0,0,0,0|1,0,1]=4 2231 B13R0.147 CCCSCCOCCCC(=O)OC 34a_200000230433_100000742333 [0,2,0,0,0,0|1,0,1]=4 2232 B13R0.147 CCCSCCOCCCC(=O)OC 7a_200000230433_100011218270 [0,2,0,0,0,0|1,0,1]=4 2233 B13R0.147 CCNCCCCCCCC(=O)OC 2230a_100015525214_100010004213 [0,2,0,0,0,0|0,0,2]=4 2234 B13R0.147 CCOCCCCCCCC(=O)OC 34a_100011022521_100000210202 [0,2,0,0,0,0|0,0,2]=4 2235 B13R0.147 CCOCCCCCCCC(=O)OC 34a_100121572206_100010004213 [0,2,0,0,0,0|0,0,2]=4 2236 B13R0.147 CCOCCCCCCCC(=O)OC 7a_100011022521_100000210202 [0,2,0,0,0,0|0,0,2]=4 2237 B13R0.147 CCOCCCNCCCC(=O)OC 2230a_100000210961_100011218270 [0,2,0,0,0,0|1,0,1]=4 2238 B13R0.147 CCOCCCNCCCC(=O)OC 34a_100000210961_100000742333 [0,2,0,0,0,0|1,0,1]=4 2239 B13R0.147 CCOCCCOCCCC(=O)OC 34a_100000757476_100000742333 [0,2,0,0,0,0|1,0,1]=4 2240 B13R0.147 CCOCCCOCCCC(=O)OC 7a_100000757476_100011218270 [0,2,0,0,0,0|1,0,1]=4 2241 B13R0.147 CCOCCCSCCCC(=O)OC 62a_100011218270_100012232248 [0,2,0,0,0,0|1,0,1]=4 2242 B13R0.147 CCOCCCSCCCC(=O)OC 62a_100012232248_100011218270 [0,2,0,0,0,0|1,0,1]=4 2243 B13R0.147 CCOCCNN=CCCC(=O)OC 4a_100000732670_100012047195 [0,2,0,0,0,0|2,0,0]=4 2244 B13R0.147 CCSCCCCCCCC(=O)OC 62a_100000210202_100010004213 [0,2,0,0,0,0|0,0,2]=4 2245 B13R0.147 CCSCCCCCCCC(=O)OC 62a_100010004213_100000210202 [0,2,0,0,0,0|0,0,2]=4 2246 B13R0.147 CCSCCCOCCCC(=O)OC 34a_100011216438_100000742333 [0,2,0,0,0,0|1,0,1]=4 2247 B13R0.147 CCSCCCOCCCC(=O)OC 7a_100011216438_100011218270 [0,2,0,0,0,0|1,0,1]=4 2248 B13R0.147 CNCCCCCCCCC(=O)OC 2230a_106832991635_100010282707 [0,2,0,0,0,0|0,0,2]=4 2249 B13R0.147 CNCCCCCCCCC(=O)OC 34a_100102657272_100010282707 [0,2,0,0,0,0|0,0,2]=4 2250 B13R0.147 CNCCCCCCCCC(=O)OC 7a_106832991635_100010282707 [0,2,0,0,0,0|0,0,2]=4 2251 B13R0.147 CNCCCCCOCCC(=O)OC 34a_100000722520_100000742370 [0,2,0,0,0,0|1,0,1]=4 2252 B13R0.147 COC(=O)CCCCCCCCO[13CH3] 34a_100000035544_200025704644 [0,2,0,0,0,0|0,0,2]=4 2253 B13R0.147 COC(=O)CCCCCCCCO[13CH3] 7a_100000035544_200025704644 [0,2,0,0,0,0|0,0,2]=4 2254 B13R0.147 COC(=O)CCCCCCCCSC 62a_100010282707_200000210301 [0,2,0,0,0,0|0,0,2]=4 2255 B13R0.147 COC(=O)CCCCCCCCSC 62a_200000210301_100010282707 [0,2,0,0,0,0|0,0,2]=4 2256 B13R0.147 COC(=O)CCCCCCCCS[13CH3] 62a_100010282707_200025704644 [0,2,0,0,0,0|0,0,2]=4 2257 B13R0.147 COC(=O)CCCCCCCCS[13CH3] 62a_200025704644_100010282707 [0,2,0,0,0,0|0,0,2]=4 2258 B13R0.147 COC(=O)CCCNCCCCCO 2230a_100000762737_100011218270 [0,2,0,0,0,0|1,0,1]=4 2259 B13R0.147 COC(=O)CCCNCCCCCO 34a_100000762737_100000742333 [0,2,0,0,0,0|1,0,1]=4 2260 B13R0.147 COC(=O)CCCOCCCCCBr 34a_100000746331_100000742333 [0,2,0,0,0,0|1,0,1]=4 2261 B13R0.147 COC(=O)CCCOCCCCCBr 7a_100000746331_100011218270 [0,2,0,0,0,0|1,0,1]=4 2262 B13R0.147 COC(=O)CCCOCCCCCCl 34a_100000746330_100000742333 [0,2,0,0,0,0|1,0,1]=4 2263 B13R0.147 COC(=O)CCCOCCCCCCl 7a_100000746330_100011218270 [0,2,0,0,0,0|1,0,1]=4 2264 B13R0.147 COC(=O)CCCOCCCCCI 34a_200012148887_100000742333 [0,2,0,0,0,0|1,0,1]=4 2265 B13R0.147 COC(=O)CCCOCCCCCI 7a_200012148887_100011218270 [0,2,0,0,0,0|1,0,1]=4 2266 B13R0.147 COC(=O)CCCOCCCCCN 34a_100000762737_100000742333 [0,2,0,0,0,0|1,0,1]=4 2267 B13R0.147 COC(=O)CCCOCCCCSC 34a_100011217163_100000742333 [0,2,0,0,0,0|1,0,1]=4 2268 B13R0.147 COC(=O)CCCOCCCCSC 7a_100011217163_100011218270 [0,2,0,0,0,0|1,0,1]=4 2269 B13R0.147 COC(=O)CCCSCCCCCF 62a_100000729378_100011218270 [0,2,0,0,0,0|1,0,1]=4 2270 B13R0.147 COC(=O)CCCSCCCCCF 62a_100011218270_100000729378 [0,2,0,0,0,0|1,0,1]=4 2271 B13R0.147 COC(=O)CCCSCCCCCO 62a_100000746330_100011218270 [0,2,0,0,0,0|1,0,1]=4 2272 B13R0.147 COC(=O)CCCSCCCCCO 62a_100011218270_100000746330 [0,2,0,0,0,0|1,0,1]=4 2273 B13R0.147 COC(=O)CCNCCCCCCO 2230a_100000686447_100000204255 [0,2,0,0,0,0|1,0,1]=4 2274 B13R0.147 COC(=O)CCNCCCCCCO 34a_100000686447_100000742370 [0,2,0,0,0,0|1,0,1]=4 2275 B13R0.147 COC(=O)CCOCCCCCCBr 34a_100011215345_100000742370 [0,2,0,0,0,0|1,0,1]=4 2276 B13R0.147 COC(=O)CCOCCCCCCBr 7a_100011215345_100000204255 [0,2,0,0,0,0|1,0,1]=4 2277 B13R0.147 COC(=O)CCOCCCCCCCl 34a_100000766143_100000742370 [0,2,0,0,0,0|1,0,1]=4 2278 B13R0.147 COC(=O)CCOCCCCCCCl 7a_100000766143_100000204255 [0,2,0,0,0,0|1,0,1]=4 2279 B13R0.147 COC(=O)CCOCCCCCCF 34a_100000732779_100000742370 [0,2,0,0,0,0|1,0,1]=4 2280 B13R0.147 COC(=O)CCOCCCCCCF 7a_100000732779_100000204255 [0,2,0,0,0,0|1,0,1]=4 2281 B13R0.147 COC(=O)CCOCCCCCCN 34a_100000686447_100000742370 [0,2,0,0,0,0|1,0,1]=4 2282 B13R0.147 COC(=O)CCSCCCCCCF 62a_100000204255_100015922095 [0,2,0,0,0,0|1,0,1]=4 2283 B13R0.147 COC(=O)CCSCCCCCCF 62a_100015922095_100000204255 [0,2,0,0,0,0|1,0,1]=4 2284 B13R0.147 COC(=O)CCSCCCCCCO 62a_100000204255_100000766143 [0,2,0,0,0,0|1,0,1]=4 2285 B13R0.147 COC(=O)CCSCCCCCCO 62a_100000766143_100000204255 [0,2,0,0,0,0|1,0,1]=4 2286 B13R0.147 COCCCCCCCCC(=O)OC 34a_100000035544_200000210301 [0,2,0,0,0,0|0,0,2]=4 2287 B13R0.147 COCCCCCCCCC(=O)OC 34a_100138415774_100010282707 [0,2,0,0,0,0|0,0,2]=4 2288 B13R0.147 COCCCCCCCCC(=O)OC 7a_100000035544_200000210301 [0,2,0,0,0,0|0,0,2]=4 2289 B13R0.147 COCCCCCNCCC(=O)OC 2230a_100000747528_100000204255 [0,2,0,0,0,0|1,0,1]=4 2290 B13R0.147 COCCCCCNCCC(=O)OC 34a_100000747528_100000742370 [0,2,0,0,0,0|1,0,1]=4 2291 B13R0.147 COCCCCOCCCC(=O)OC 34a_100000740925_100000742333 [0,2,0,0,0,0|1,0,1]=4 2292 B13R0.147 COCCCCSCCCC(=O)OC 62a_100000730899_100011218270 [0,2,0,0,0,0|1,0,1]=4 2293 B13R0.147 COCCCCSCCCC(=O)OC 62a_100011218270_100000730899 [0,2,0,0,0,0|1,0,1]=4 2294 B13R0.147 O=C(CO)CCCCCCCCCO 1458a_100000210174_100009813782 [0,2,0,0,0,0|0,0,2]=4 2295 B13R0.150 CC(CNCCCCCCF)C(=O)O 269956a_100000749485_100015922095 [0,2,0,0,0,0|1,0,1]=4 2296 B13R0.150 CC(CNCCCCCCO)C(=O)O 269956a_100000749485_100000766143 [0,2,0,0,0,0|1,0,1]=4 2297 B13R0.150 CCCCC/C=C/CCC(=O)C(C)C 1458a_200015255902_100000210206 [0,2,0,0,0,0|1,0,0]=3 2298 B13R0.150 CCCCC/C=C/CCC(=O)N(C)C 11a_100102631434_200015255902 [0,2,0,0,0,0|1,0,0]=3 2299 B13R0.150 CCCCC/C=C/CCC(=O)N(C)C 1626a_100102631434_200015255902 [0,2,0,0,0,0|1,0,0]=3 2300 B13R0.150 CCCCC/C=C/CCC(=O)N(C)C 240690a_100102631434_200015255902 [0,2,0,0,0,0|1,0,0]=3 2301 B13R0.150 CCCCC/C=C/CCC(=O)N(C)C 527a_100102631434_200015255902 [0,2,0,0,0,0|1,0,0]=3 2302 B13R0.150 CCCCC/C=C/COC(C)C(=O)C 7a_100016258190_100000179758 [0,2,0,0,0,0|1,0,0]=3 2303 B13R0.150 CCCCC/C=C/COC(C)C(=O)N 34a_100016258190_100000702099 [0,2,0,0,0,0|1,0,0]=3 2304 B13R0.150 CCCCC/C=C/COC(C)C(=O)N 7a_100016258190_100000702099 [0,2,0,0,0,0|1,0,0]=3 2305 B13R0.150 CCCCC/C=C/COC(F)C(=O)N 34a_100016258190_100009813875 [0,2,0,0,0,0|1,0,0]=3 2306 B13R0.150 CCCCC/C=C/COC(F)C(=O)N 7a_100016258190_100009813875 [0,2,0,0,0,0|1,0,0]=3 2307 B13R0.150 CCCCC/C=C/COC(F)C(=O)[O-] 34a_100016258190_100020610796 [0,2,0,0,0,0|0,0,1]=3 2308 B13R0.150 CCCCCC#CCN[C@@H](C)C(=O)O 269956a_100000743915_100009816472 [0,2,0,0,0,0|0,0,2]=4 2309 B13R0.150 CCCCCCCCCC(=O)C(O)O 1458a_100000233687_100000210670 [0,2,0,0,0,0|0,0,2]=4 2310 B13R0.150 CCCCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210670 [0,2,0,0,0,0|0,0,2]=4 2311 B13R0.150 CCCCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210670 [0,2,0,0,0,0|0,0,2]=4 2312 B13R0.150 CCCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210759 [0,2,0,0,0,0|0,0,2]=4 2313 B13R0.150 CCCCCCCNCC(C)C(=O)O 269956a_100000749485_100000210614 [0,2,0,0,0,0|0,0,2]=4 2314 B13R0.150 CCCCCCCNCC(F)C(=O)O 269956a_100000084737_100000210614 [0,2,0,0,0,0|0,0,2]=4 2315 B13R0.150 CCCCOCCNCC(C)C(=O)O 269956a_100000749485_100000743108 [0,2,0,0,0,0|1,0,1]=4 2316 B13R0.150 CCCCOCCNCC(F)C(=O)O 269956a_100000084737_100000743108 [0,2,0,0,0,0|1,0,1]=4 2317 B13R0.150 O=C(O)C(F)CNCCCCCCF 269956a_100000084737_100015922095 [0,2,0,0,0,0|1,0,1]=4 2318 B13R0.150 O=C(O)C(F)CNCCCCCCO 269956a_100000084737_100000766143 [0,2,0,0,0,0|1,0,1]=4 2319 B13R0.154 C=C(C)CCC(=O)C=CCCCCC 1458a_100016263427_100000730704 [0,2,0,0,0,0|2,0,0]=4 2320 B13R0.154 CCCCCC=CC(=O)CCC(C)O 1458a_100016263427_100012276601 [0,2,0,0,0,0|1,0,1]=4 2321 B13R0.154 CCCCCC=CC(=O)NCC(=O)N 11a_100000711301_100016263427 [0,2,0,0,0,0|1,0,1]=4 2322 B13R0.154 CCCCCC=CC(=O)NCC(=O)N 240690a_100000711301_100016263427 [0,2,0,0,0,0|1,0,1]=4 2323 B13R0.154 CCCCCCCC(=O)CCC(=O)N 1458a_100011215257_100000210614 [0,2,0,0,0,0|1,0,1]=4 2324 B13R0.154 CCCCCCCC(C)NCC(=O)O 269956a_100016091260_200011218727 [0,2,0,0,0,0|0,0,2]=4 2325 B13R0.154 CCCCCCNC(=O)CCC(=O)N 240690a_100000210581_100011215257 [0,2,0,0,0,0|1,0,1]=4 2326 B13R0.154 CCCCCCNC(=O)CCC(=O)N 527a_100000210581_100011215257 [0,2,0,0,0,0|1,0,1]=4 2327 B13R0.154 CCCCCNCC(=O)NCC(=O)O 269956a_100000183575_100000210326 [0,2,0,0,0,0|1,0,1]=4 2328 B13R0.154 CCCCCNNC(=O)CCC(=O)N 22a_100000694160_100011215257 [0,2,0,0,0,0|2,0,0]=4 2329 B13R0.154 CCCCNCCC(=O)NCC(=O)O 269956a_100000722369_100000210211 [0,2,0,0,0,0|1,0,1]=4 2330 B13R0.154 CCCCOCCC(=O)CCC(=O)N 1458a_100011215257_100000743108 [0,2,0,0,0,0|1,0,1]=4 2331 B13R0.154 CCCOCCNC(=O)CCC(=O)N 240690a_100161115042_100011215257 [0,2,0,0,0,0|2,0,0]=4 2332 B13R0.154 CCCOCCNC(=O)CCC(=O)N 527a_100161115042_100011215257 [0,2,0,0,0,0|2,0,0]=4 2333 B13R0.154 CCCSCCNC(=O)CCC(=O)N 240690a_100020603323_100011215257 [0,2,0,0,0,0|2,0,0]=4 2334 B13R0.154 CCCSCCNC(=O)CCC(=O)N 527a_100020603323_100011215257 [0,2,0,0,0,0|2,0,0]=4 2335 B13R0.154 CCOCCCNC(=O)CCC(=O)N 240690a_100000210961_100011215257 [0,2,0,0,0,0|2,0,0]=4 2336 B13R0.154 CCOCCCNC(=O)CCC(=O)N 527a_100000210961_100011215257 [0,2,0,0,0,0|2,0,0]=4 2337 B13R0.154 NC(=O)CCC(=O)CCCCCCF 1458a_100011215257_100015922095 [0,2,0,0,0,0|1,0,1]=4 2338 B13R0.154 NC(=O)CCC(=O)CCCCCCO 1458a_100011215257_100000766143 [0,2,0,0,0,0|1,0,1]=4 2339 B13R0.154 NC(=O)CCC(=O)NCCCCCO 240690a_100000762737_100011215257 [0,2,0,0,0,0|2,0,0]=4 2340 B13R0.179 CC(C)CCCNCCOCC(=O)O 269956a_100000700818_100011214892 [0,2,0,0,0,0|1,0,1]=4 2341 B13R0.179 CC(O)CCCNCCOCC(=O)O 269956a_100000700818_200000718107 [0,2,0,0,0,0|1,0,1]=4 2342 B13R0.202 COC(=O)CCCNCCCC(C)C 2230a_200000737386_100011218270 [0,2,0,0,0,0|1,0,1]=4 2343 B13R0.202 COC(=O)CCCNCCCC(C)C 34a_200000737386_100000742333 [0,2,0,0,0,0|1,0,1]=4 2344 B13R0.202 COC(=O)CCCOCCCC(C)C 34a_100000210774_100000742333 [0,2,0,0,0,0|1,0,1]=4 2345 B13R0.202 COC(=O)CCCOCCCC(C)C 7a_100000210774_100011218270 [0,2,0,0,0,0|1,0,1]=4 2346 B13R0.202 COC(=O)CCCSCCCC(C)C 62a_100011214892_100011218270 [0,2,0,0,0,0|1,0,1]=4 2347 B13R0.202 COC(=O)CCCSCCCC(C)C 62a_100011218270_100011214892 [0,2,0,0,0,0|1,0,1]=4 2348 B13R0.202 COC(=O)CCCSCCCC(C)O 62a_100011218270_200000718107 [0,2,0,0,0,0|1,0,1]=4 2349 B13R0.202 COC(=O)CCCSCCCC(C)O 62a_200000718107_100011218270 [0,2,0,0,0,0|1,0,1]=4 2350 B13R0.202 COC(=O)CCOCCCCC(C)C 34a_100011214890_100000742370 [0,2,0,0,0,0|1,0,1]=4 2351 B13R0.202 COC(=O)CCOCCCCC(C)C 7a_100011214890_100000204255 [0,2,0,0,0,0|1,0,1]=4 2352 B13R0.202 COC(=O)CCSCCCCC(C)C 62a_100000204255_100011216152 [0,2,0,0,0,0|1,0,1]=4 2353 B13R0.202 COC(=O)CCSCCCCC(C)C 62a_100011216152_100000204255 [0,2,0,0,0,0|1,0,1]=4 2354 B13R0.2 C#CCC(=O)CC/C=C/CCCCC 1458a_200015255902_100000184674 [0,2,0,0,0,0|1,0,0]=3 2355 B13R0.2 C=CCC(=O)CC/C=C/CCCCC 1458a_200015255902_100000210623 [0,2,0,0,0,0|1,0,0]=3 2356 B13R0.2 CCCCC/C=C/CCC(=O)CC#N 1458a_200015255902_100011214920 [0,2,0,0,0,0|1,0,0]=3 2357 B13R0.2 CCCCC/C=C/CCC(=O)CCC 1458a_200015255902_100000210303 [0,2,0,0,0,0|1,0,0]=3 2358 B13R0.2 CCCCC/C=C/CCC(=O)CCF 1458a_200015255902_100011217306 [0,2,0,0,0,0|1,0,0]=3 2359 B13R0.2 CCCCC/C=C/CCC(=O)CCO 1458a_200015255902_100000211926 [0,2,0,0,0,0|0,0,0]=2 2360 B13R0.2 CCCCC/C=C/CCC(=O)NCC 11a_100015525214_200015255902 [0,2,0,0,0,0|1,0,0]=3 2361 B13R0.2 CCCCC/C=C/CCC(=O)NCC 240690a_100015525214_200015255902 [0,2,0,0,0,0|1,0,0]=3 2362 B13R0.2 CCCCC/C=C/CCC(=O)NCC 527a_100015525214_200015255902 [0,2,0,0,0,0|1,0,0]=3 2363 B13R0.2 CCCCC/C=C/CCC(=O)NNC 22a_100016993582_200015255902 [0,2,0,0,0,0|1,0,0]=3 2364 B13R0.2 CCCCCC/C=C/CC(=O)CCO 1458a_100020681715_100000211926 [0,2,0,0,0,0|0,0,2]=4 2365 B13R0.2 CCCCCCCCCC(=O)CCO 1458a_100000210558_100000211926 [0,2,0,0,0,0|0,0,2]=4 2366 B13R0.2 CCCCCCCCCC(=O)CCO 1458a_100011216618_100000210670 [0,2,0,0,0,0|0,0,2]=4 2367 B13R0.2 CCCCCCCCCC(=O)COC 1458a_100000210968_100000210670 [0,2,0,0,0,0|0,0,2]=4 2368 B13R0.2 CCCCCCNCCC(=O)OCC 2230a_100000210581_100011206558 [0,2,0,0,0,0|1,0,1]=4 2369 B13R0.2 CCCCCCOCCC(=O)OCC 34a_100000210259_100000765890 [0,2,0,0,0,0|1,0,1]=4 2370 B13R0.2 CCCCCCOCCC(=O)OCC 7a_100000210259_100011206558 [0,2,0,0,0,0|1,0,1]=4 2371 B13R0.2 CCCCCCSCCC(=O)OCC 62a_100000210314_100000765890 [0,2,0,0,0,0|1,0,1]=4 2372 B13R0.2 CCCCCCSCCC(=O)OCC 62a_100000765890_100000210757 [0,2,0,0,0,0|1,0,1]=4 2373 B13R0.2 CCCCCNCCCC(=O)OCC 2230a_100000209983_100009991533 [0,2,0,0,0,0|1,0,1]=4 2374 B13R0.2 CCCCCOCCCC(=O)OCC 34a_100000210253_100009991533 [0,2,0,0,0,0|1,0,1]=4 2375 B13R0.2 CCCCCOCCCC(=O)OCC 7a_100000210253_100011215271 [0,2,0,0,0,0|1,0,1]=4 2376 B13R0.2 CCCCCOCCCC(=O)OCC 7a_100012001163_100000210326 [0,2,0,0,0,0|1,0,1]=4 2377 B13R0.2 CCCCCSCCCC(=O)OCC 62a_100000210326_100009991533 [0,2,0,0,0,0|1,0,1]=4 2378 B13R0.2 CCCCCSCCCC(=O)OCC 62a_100009991533_100000210326 [0,2,0,0,0,0|1,0,1]=4 2379 B13R0.87 CCCC(C)CCOCCC(=O)OC 34a_100011217855_100000742370 [0,2,0,0,0,0|1,0,1]=4 2380 B13R0.87 CCCC(C)CCOCCC(=O)OC 7a_100011217855_100000204255 [0,2,0,0,0,0|1,0,1]=4 2381 B13R0.87 CCCC(C)COCCCC(=O)OC 34a_100000688023_100000742333 [0,2,0,0,0,0|1,0,1]=4 2382 B13R0.87 CCCC(C)COCCCC(=O)OC 7a_100000688023_100011218270 [0,2,0,0,0,0|1,0,1]=4 2383 B13R0.87 CCCC(C)CSCCCC(=O)OC 62a_100011216630_100011218270 [0,2,0,0,0,0|1,0,1]=4 2384 B13R0.87 CCCC(C)CSCCCC(=O)OC 62a_100011218270_100011216630 [0,2,0,0,0,0|1,0,1]=4 2385 B13R0.87 CCC[C@H](N)CCOCCC(=O)OC 34a_100015193777_100000742370 [0,2,0,0,0,0|1,0,1]=4 2386 B13R0.87 CCC[C@H](N)COCCCC(=O)OC 34a_100000732646_100000742333 [0,2,0,0,0,0|1,0,1]=4 2387 B13R0.340 CCCCCCOCC(C)C(=O)OC 34a_100000210259_100000698445 [0,2,0,0,0,0|1,0,1]=4 2388 B13R0.340 CCCCCCOCC(C)C(=O)OC 34a_100000749362_100000210314 [0,2,0,0,0,0|1,0,1]=4 2389 B13R0.340 CCCCCCOCC(C)C(=O)OC 7a_100000749362_100000210314 [0,2,0,0,0,0|1,0,1]=4 2390 B13R0.340 CCCCCCOCC(F)C(=O)OC 34a_200009849844_100000210314 [0,2,0,0,0,0|1,0,1]=4 2391 B13R0.340 CCCCCCOC[C@@H](N)C(=O)OC 34a_100000003586_100000210314 [0,2,0,0,0,0|1,0,1]=4 2392 B13R0.340 CCCCCCSCC(C)C(=O)OC 62a_100000210314_100000698445 [0,2,0,0,0,0|1,0,1]=4 2393 B13R0.340 CCCCCCSCC(C)C(=O)OC 62a_100000698445_100000210757 [0,2,0,0,0,0|1,0,1]=4 2394 B13R0.340 CCCCCNCCC(C)C(=O)OC 2230a_100000209983_100000034942 [0,2,0,0,0,0|1,0,1]=4 2395 B13R0.340 CCCCCOCCC(C)C(=O)OC 34a_100000210253_100000034942 [0,2,0,0,0,0|1,0,1]=4 2396 B13R0.340 CCCCCOCCC(C)C(=O)OC 7a_100000210253_100000034942 [0,2,0,0,0,0|1,0,1]=4 2397 B13R0.340 CCCCCSCCC(C)C(=O)OC 62a_100000034942_100000210326 [0,2,0,0,0,0|1,0,1]=4 2398 B13R0.340 CCCCCSCCC(C)C(=O)OC 62a_100000210326_100000034942 [0,2,0,0,0,0|1,0,1]=4 2399 B13R0.1170 CCCCC=CC(=O)NCC(=O)OC 188690a_100000185156_100016266645 [0,2,0,0,0,0|1,0,1]=4 2400 B13R0.1170 CCCCCCC(=O)CCC(=O)NC 1458a_100011309844_100000210757 [0,2,0,0,0,0|1,0,1]=4 2401 B13R0.1170 CCCCCCC(=O)CCC(=O)OC 1458a_100000187943_100000210757 [0,2,0,0,0,0|0,0,1]=3 2402 B13R0.1170 CCCCCCC(=O)CNC(=O)OC 1458a_100000215747_100000210757 [0,2,0,0,0,0|1,0,1]=4 2403 B13R0.1170 CCCCCCC(=O)NCC(=O)OC 188690a_100000185156_100102632555 [0,2,0,0,0,0|1,0,1]=4 2404 B13R0.1170 CCCCCCN(C)CCC(=O)OC 2230a_106256046315_100000204255 [0,2,0,0,0,0|1,0,1]=4 2405 B13R0.1170 CCCCCCN(C)CCC(=O)OC 269982a_100025711912_100000210757 [0,2,0,0,0,0|1,0,1]=4 2406 B13R0.1170 CCCCCCN(C)CCC(=O)OC 269982a_106256046315_100000204255 [0,2,0,0,0,0|1,0,1]=4 2407 B13R0.1170 CCCCCNC(=O)CCC(=O)NC 11a_100000209983_100011309844 [0,2,0,0,0,0|2,0,0]=4 2408 B13R0.1170 CCCCCNC(=O)CCC(=O)NC 1626a_100000209983_100011309844 [0,2,0,0,0,0|2,0,0]=4 2409 B13R0.1170 CCCCCNC(=O)CCC(=O)NC 240690a_100000209983_100011309844 [0,2,0,0,0,0|2,0,0]=4 2410 B13R0.1170 CCCCCNC(=O)CCC(=O)NC 527a_100000209983_100011309844 [0,2,0,0,0,0|2,0,0]=4 2411 B13R0.1170 CCCCCNC(=O)CCC(=O)OC 11a_100000209983_100000187943 [0,2,0,0,0,0|1,0,0]=3 2412 B13R0.1170 CCCCCNC(=O)CCC(=O)OC 1626a_100000209983_100000187943 [0,2,0,0,0,0|1,0,0]=3 2413 B13R0.1170 CCCCCNC(=O)CCC(=O)OC 240690a_100000209983_100000187943 [0,2,0,0,0,0|1,0,0]=3 2414 B13R0.1170 CCCCCNC(=O)CCC(=O)OC 527a_100000209983_100000187943 [0,2,0,0,0,0|1,0,0]=3 2415 B13R0.1170 CCCCCNC(=O)CNC(=O)OC 11a_100000209983_100000215747 [0,2,0,0,0,0|2,0,0]=4 2416 B13R0.1170 CCCCCNC(=O)CNC(=O)OC 1626a_100000209983_100000215747 [0,2,0,0,0,0|2,0,0]=4 2417 B13R0.1170 CCCCCNC(=O)CNC(=O)OC 240690a_100000209983_100000215747 [0,2,0,0,0,0|2,0,0]=4 2418 B13R0.1170 CCCCCNC(=O)CNC(=O)OC 527a_100000209983_100000215747 [0,2,0,0,0,0|2,0,0]=4 2419 B13R0.1170 CCCCNCC(=O)CCC(=O)OC 2230a_100000102301_100000691467 [0,2,0,0,0,0|1,0,1]=4 2420 B13R0.1170 CCCCNCC(=O)CCC(=O)OC 7a_106832991798_100000691467 [0,2,0,0,0,0|1,0,1]=4 2421 B13R0.1170 CCCCNN=C(C)CCC(=O)OC 4a_100025702795_100000756497 [0,2,0,0,0,0|2,0,0]=4 2422 B13R0.1170 CCCCOCC(=O)CCC(=O)OC 1458a_100000187943_100011995733 [0,2,0,0,0,0|1,0,1]=4 2423 B13R0.1170 CCCCOCC(=O)CCC(=O)OC 34a_100000210227_100000691467 [0,2,0,0,0,0|1,0,1]=4 2424 B13R0.1170 CCCCOCC(=O)CCC(=O)OC 7a_100000210227_100000691467 [0,2,0,0,0,0|1,0,1]=4 2425 B13R0.1170 CCCCSCC(=O)CCC(=O)OC 62a_100000210211_100000691467 [0,2,0,0,0,0|1,0,1]=4 2426 B13R0.1170 CCCCSCC(=O)CCC(=O)OC 62a_100000691467_100000210210 [0,2,0,0,0,0|1,0,1]=4 2427 B13R0.1170 CCCOCCC(=O)CCC(=O)OC 1458a_100000187943_100011215938 [0,2,0,0,0,0|1,0,1]=4 2428 B13R0.1170 CCOCCCC(=O)CCC(=O)OC 1458a_100000187943_100012232248 [0,2,0,0,0,0|1,0,1]=4 2429 B13R0.1170 CCOCCNC(=O)CCC(=O)OC 11a_100011200944_100000187943 [0,2,0,0,0,0|2,0,0]=4 2430 B13R0.1170 CCOCCNC(=O)CCC(=O)OC 1626a_102516460346_100000187943 [0,2,0,0,0,0|2,0,0]=4 2431 B13R0.1170 CCOCCNC(=O)CCC(=O)OC 240690a_100011200944_100000187943 [0,2,0,0,0,0|2,0,0]=4 2432 B13R0.1170 CCOCCNC(=O)CCC(=O)OC 527a_100011200944_100000187943 [0,2,0,0,0,0|2,0,0]=4 2433 B13R0.1170 CCSCCNC(=O)CCC(=O)OC 11a_100000106463_100000187943 [0,2,0,0,0,0|2,0,0]=4 2434 B13R0.1170 CCSCCNC(=O)CCC(=O)OC 1626a_100000106463_100000187943 [0,2,0,0,0,0|2,0,0]=4 2435 B13R0.1170 CCSCCNC(=O)CCC(=O)OC 240690a_100000106463_100000187943 [0,2,0,0,0,0|2,0,0]=4 2436 B13R0.1170 CCSCCNC(=O)CCC(=O)OC 527a_100000106463_100000187943 [0,2,0,0,0,0|2,0,0]=4 2437 B13R0.1170 COC(=O)CCC(=O)CCCCCF 1458a_100000187943_100000729378 [0,2,0,0,0,0|1,0,1]=4 2438 B13R0.1170 COC(=O)CCC(=O)CCCCCO 1458a_100000187943_100000746330 [0,2,0,0,0,0|1,0,1]=4 2439 B13R0.1170 COC(=O)CCC(=O)NCCCCO 240690a_100000750430_100000187943 [0,2,0,0,0,0|2,0,0]=4 2440 B13R0.1170 COC(=O)CCC(=O)NCCCCO 527a_100000750430_100000187943 [0,2,0,0,0,0|2,0,0]=4 2441 B13R0.1170 COC(=O)CCC(=O)NCCCSC 11a_100000749238_100000187943 [0,2,0,0,0,0|2,0,0]=4 2442 B13R0.1170 COC(=O)CCC(=O)NCCCSC 1626a_100000749238_100000187943 [0,2,0,0,0,0|2,0,0]=4 2443 B13R0.1170 COC(=O)CCC(=O)NCCCSC 240690a_100000749238_100000187943 [0,2,0,0,0,0|2,0,0]=4 2444 B13R0.1170 COC(=O)CCC(=O)NCCCSC 527a_100000749238_100000187943 [0,2,0,0,0,0|2,0,0]=4 2445 B13R0.1170 COCCCCC(=O)CCC(=O)OC 1458a_100000187943_100000755781 [0,2,0,0,0,0|1,0,1]=4 2446 B13R0.1170 COCCCNC(=O)CCC(=O)OC 1626a_100150723488_100000187943 [0,2,0,0,0,0|2,0,0]=4 2447 B13R0.1170 COCCCNC(=O)CCC(=O)OC 240690a_100150723488_100000187943 [0,2,0,0,0,0|2,0,0]=4 2448 B13R0.1170 COCCCNC(=O)CCC(=O)OC 527a_100150723488_100000187943 [0,2,0,0,0,0|2,0,0]=4 2449 B13R0.413 CCCCCCNCC(C)(C)C(=O)O 269956a_100000693527_100000210757 [0,2,0,0,0,0|1,0,1]=4 2450 B13R0.413 CCCCCCNCC(F)(F)C(=O)O 269956a_100000734215_100000210757 [0,2,0,0,0,0|1,0,1]=4 2451 B11R1.53 CCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210202 [1,0,0,1,0,0|1,0,1]=4 2452 B11R1.53 CCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000210202 [1,0,0,1,0,0|2,0,0]=4 2453 B11R1.53 CCN1CCSCC1C(=O)O 269956a_100011346106_100000210202 [1,0,0,1,0,0|2,0,0]=4 2454 B11R1.53 CN[C@@H]1CC=CC[C@H]1C(=O)N 34a_100032748912_200000210301 [1,0,0,1,0,0|2,0,0]=4 2455 B11R1.53 CN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_200000210301 [1,0,0,1,0,0|1,0,1]=4 2456 B11R1.53 [13CH3]N[C@@H]1CC=CC[C@H]1C(=O)N 34a_100032748912_200025704644 [1,0,0,1,0,0|2,0,0]=4 2457 B11R1.53 [13CH3]N[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_200025704644 [1,0,0,1,0,0|1,0,1]=4 2458 B11R1.78 CCCCCSC1CC(=O)C1 62a_100009894365_100000210326 [1,0,0,1,0,0|2,0,0]=4 2459 B11R1.90 CC(=O)CCN1CCC[C@@H]1C 269982a_100020605311_100000053229 [1,0,0,1,0,0|2,0,0]=4 2460 B11R1.90 CC(=O)CCN1CCC[C@H]1C 269982a_100015189458_100000053229 [1,0,0,1,0,0|2,0,0]=4 2461 B11R1.90 C[C@@H]1CCCN1CCC(=O)N 2230a_100015189458_100000744528 [1,0,0,1,0,0|2,0,0]=4 2462 B11R1.90 C[C@@H]1CCCN1CCC(=O)N 269982a_100015189458_100000744528 [1,0,0,1,0,0|2,0,0]=4 2463 B11R1.90 C[C@@H]1CCCN1CCC(=O)N 34a_100015189458_100000731001 [1,0,0,1,0,0|2,0,0]=4 2464 B11R1.90 C[C@H]1CCCN1CCC(=O)N 2230a_100020605311_100000744528 [1,0,0,1,0,0|2,0,0]=4 2465 B11R1.90 C[C@H]1CCCN1CCC(=O)N 269982a_100020605311_100000744528 [1,0,0,1,0,0|2,0,0]=4 2466 B11R1.91 CC(=O)CCC1CCCCC1 1458a_100000070787_100011273959 [1,0,0,1,0,0|1,0,1]=4 2467 B11R1.91 CC(=O)CCC1CCCCC1 1458a_100000211375_200000210301 [1,0,0,1,0,0|1,0,1]=4 2468 B11R1.91 CC(=O)CCN1CCCCC1 1458a_100000070787_100000739454 [1,0,0,1,0,0|2,0,0]=4 2469 B11R1.91 CC(=O)CCN1CCCCC1 1458a_100000743487_200000210301 [1,0,0,1,0,0|2,0,0]=4 2470 B11R1.91 O=C(O)CNC1CCCCC1 269956a_100016091260_100000210327 [1,0,0,1,0,0|1,0,1]=4 2471 B11R1.91 [13CH3]C(=O)CCC1CCCCC1 1458a_100000211375_200025704644 [1,0,0,1,0,0|1,0,1]=4 2472 B11R1.91 [13CH3]C(=O)CCN1CCCCC1 1458a_100000743487_200025704644 [1,0,0,1,0,0|2,0,0]=4 2473 B11R1.102 CC(=O)CCOCC1CC1C 7a_100000744939_100000053229 [1,0,0,1,0,0|2,0,0]=4 2474 B11R1.102 CC1CC1COCCC(=O)N 34a_100000744939_100000731001 [1,0,0,1,0,0|2,0,0]=4 2475 B11R1.102 CC1CC1COCCC(=O)N 7a_100000744939_100000744528 [1,0,0,1,0,0|2,0,0]=4 2476 B11R1.143 CN1CCCCCC1C(=O)O 269956a_100000758484_200000210301 [1,0,0,1,0,0|1,0,1]=4 2477 B11R1.143 [13CH3]N1CCCCCC1C(=O)O 269956a_100000758484_200025704644 [1,0,0,1,0,0|1,0,1]=4 2478 B11R1.172 CC(=O)CCCC1CCCC1 1458a_100000070787_100011713738 [1,0,0,1,0,0|1,0,1]=4 2479 B11R1.172 CC(=O)CCOC1CCCC1 34a_100000759926_100000179811 [1,0,0,1,0,0|2,0,0]=4 2480 B11R1.172 CC(=O)CCOC1CCCC1 7a_100000210269_100000053229 [1,0,0,1,0,0|2,0,0]=4 2481 B11R1.172 CC(=O)CCOC1CCCC1 7a_100000759926_100000179811 [1,0,0,1,0,0|2,0,0]=4 2482 B11R1.172 CC(=O)CCSC1CCCC1 62a_100000053229_100000179811 [1,0,0,1,0,0|2,0,0]=4 2483 B11R1.172 CC(=O)CCSC1CCCC1 62a_100011217020_100000053229 [1,0,0,1,0,0|2,0,0]=4 2484 B11R1.172 NC(=O)CCNC1CCCC1 2230a_100000211070_100000744528 [1,0,0,1,0,0|2,0,0]=4 2485 B11R1.172 NC(=O)CCNC1CCCC1 34a_100000211070_100000731001 [1,0,0,1,0,0|2,0,0]=4 2486 B11R1.172 NC(=O)CCOC1CCCC1 34a_100000210269_100000731001 [1,0,0,1,0,0|2,0,0]=4 2487 B11R1.172 NC(=O)CCOC1CCCC1 34a_100000757172_100000179811 [1,0,0,1,0,0|2,0,0]=4 2488 B11R1.172 NC(=O)CCOC1CCCC1 7a_100000210269_100000744528 [1,0,0,1,0,0|2,0,0]=4 2489 B11R1.172 NC(=O)CCOC1CCCC1 7a_100000757172_100000179811 [1,0,0,1,0,0|2,0,0]=4 2490 B11R1.172 NC(=O)CCSC1CCCC1 62a_100000744528_100000179811 [1,0,0,1,0,0|2,0,0]=4 2491 B11R1.172 NC(=O)CCSC1CCCC1 62a_100011217020_100000744528 [1,0,0,1,0,0|2,0,0]=4 2492 B11R1.172 O=C(O)CNCC1CCCC1 269956a_100016091260_100000740388 [1,0,0,1,0,0|1,0,1]=4 2493 B11R1.172 O=C(O)CONC1CCCC1 269956a_100000106656_100000179811 [1,0,0,1,0,0|2,0,0]=4 2494 B11R1.174 CC(=O)CCOCC1CCC1 34a_100000759926_100000763275 [1,0,0,1,0,0|2,0,0]=4 2495 B11R1.174 CC(=O)CCOCC1CCC1 7a_100000759926_100000763275 [1,0,0,1,0,0|2,0,0]=4 2496 B11R1.174 CC(=O)CCSCC1CCC1 62a_100000053229_100000763275 [1,0,0,1,0,0|2,0,0]=4 2497 B11R1.174 CC(=O)CCSCC1CCC1 62a_100000763275_100000053229 [1,0,0,1,0,0|2,0,0]=4 2498 B11R1.174 NC(=O)CCNCC1CCC1 2230a_100000738700_100000744528 [1,0,0,1,0,0|2,0,0]=4 2499 B11R1.174 NC(=O)CCNCC1CCC1 269862a_100000740010_100000753134 [1,0,0,1,0,0|2,0,0]=4 2500 B11R1.174 NC(=O)CCNCC1CCC1 34a_100000738700_100000731001 [1,0,0,1,0,0|2,0,0]=4 2501 B11R1.174 NC(=O)CCOCC1CCC1 34a_100000757172_100000763275 [1,0,0,1,0,0|2,0,0]=4 2502 B11R1.174 NC(=O)CCOCC1CCC1 34a_100000760304_100000731001 [1,0,0,1,0,0|2,0,0]=4 2503 B11R1.174 NC(=O)CCOCC1CCC1 7a_100000757172_100000763275 [1,0,0,1,0,0|2,0,0]=4 2504 B11R1.174 NC(=O)CCSCC1CCC1 62a_100000744528_100000763275 [1,0,0,1,0,0|2,0,0]=4 2505 B11R1.174 NC(=O)CCSCC1CCC1 62a_100000763275_100000744528 [1,0,0,1,0,0|2,0,0]=4 2506 B11R1.174 O=C(O)CONCC1CCC1 269956a_100000106656_100000763275 [1,0,0,1,0,0|2,0,0]=4 2507 B11R1.176 CC(=O)CCOCCC1CC1 34a_100000759926_100000694398 [1,0,0,1,0,0|2,0,0]=4 2508 B11R1.176 CC(=O)CCOCCC1CC1 7a_100000754188_100000053229 [1,0,0,1,0,0|2,0,0]=4 2509 B11R1.176 CC(=O)CCOCCC1CC1 7a_100000759926_100000764125 [1,0,0,1,0,0|2,0,0]=4 2510 B11R1.176 CC(=O)CCSCCC1CC1 62a_100000053229_100000764125 [1,0,0,1,0,0|2,0,0]=4 2511 B11R1.176 CC(=O)CCSCCC1CC1 62a_100000764125_100000053229 [1,0,0,1,0,0|2,0,0]=4 2512 B11R1.176 NC(=O)CCNCCC1CC1 34a_100000764129_100000731001 [1,0,0,1,0,0|2,0,0]=4 2513 B11R1.176 NC(=O)CCOCCC1CC1 34a_100000754188_100000731001 [1,0,0,1,0,0|2,0,0]=4 2514 B11R1.176 NC(=O)CCOCCC1CC1 34a_100000757172_100000694398 [1,0,0,1,0,0|2,0,0]=4 2515 B11R1.176 NC(=O)CCOCCC1CC1 7a_100000754188_100000744528 [1,0,0,1,0,0|2,0,0]=4 2516 B11R1.176 NC(=O)CCOCCC1CC1 7a_100000757172_100000764125 [1,0,0,1,0,0|2,0,0]=4 2517 B11R1.176 NC(=O)CCSCCC1CC1 62a_100000744528_100000764125 [1,0,0,1,0,0|2,0,0]=4 2518 B11R1.176 NC(=O)CCSCCC1CC1 62a_100000764125_100000744528 [1,0,0,1,0,0|2,0,0]=4 2519 B11R1.176 O=C(O)CONCCC1CC1 269956a_100000106656_100000694398 [1,0,0,1,0,0|2,0,0]=4 2520 B11R1.193 CCCN1CC=C[C@H]1C(=O)O 269956a_100000057196_100000210207 [1,0,0,1,0,0|1,0,0]=3 2521 B11R1.193 CCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210207 [1,0,0,1,0,0|1,0,1]=4 2522 B11R1.193 CCCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000210207 [1,0,0,1,0,0|2,0,0]=4 2523 B11R1.193 COCN1CC=C[C@H]1C(=O)O 269956a_100000057196_100000766300 [1,0,0,1,0,0|2,0,0]=4 2524 B11R1.193 CSCN1CC=C[C@H]1C(=O)O 269956a_100000057196_100011218213 [1,0,0,1,0,0|2,0,0]=4 2525 B11R1.193 O=C(O)[C@@H]1C=CCN1CCF 269956a_100000057196_100011217306 [1,0,0,1,0,0|2,0,0]=4 2526 B11R1.193 O=C(O)[C@@H]1C=CCN1CCO 269956a_100000057196_100000211926 [1,0,0,1,0,0|2,0,0]=4 2527 B11R1.204 CCCCN1CCC1C(=O)O 269956a_100000021838_100000210211 [1,0,0,1,0,0|1,0,1]=4 2528 B11R1.742 CC(=O)CC1CCCCCC1 1458a_100000070787_200000696569 [1,0,0,1,0,0|1,0,1]=4 2529 B11R1.742 CC(=O)CC1CCCCCC1 1458a_100000685095_200000210301 [1,0,0,1,0,0|1,0,1]=4 2530 B11R1.742 [13CH3]C(=O)CC1CCCCCC1 1458a_100000685095_200025704644 [1,0,0,1,0,0|1,0,1]=4 2531 B11R1.4 O=CCCCNC1CCCC1 2230a_100000211070_200011292268 [1,0,0,1,0,0|1,0,1]=4 2532 B11R1.4 O=CCCCOC1CCCC1 7a_100000210269_200011292268 [1,0,0,1,0,0|1,0,1]=4 2533 B11R1.4 O=CCCCSC1CCCC1 62a_100011217020_200011292268 [1,0,0,1,0,0|1,0,1]=4 2534 B11R1.4 O=CCCCSC1CCCC1 62a_200011292268_100000179811 [1,0,0,1,0,0|1,0,1]=4 2535 B11R1.47 O=CCCCNCC1CCC1 2230a_100000738700_200011292268 [1,0,0,1,0,0|1,0,1]=4 2536 B11R1.47 O=CCCCSCC1CCC1 62a_100000763275_200011292268 [1,0,0,1,0,0|1,0,1]=4 2537 B11R1.47 O=CCCCSCC1CCC1 62a_200011292268_100000763275 [1,0,0,1,0,0|1,0,1]=4 2538 B11R1.180 CCCOCC1=CCCC1=O 34a_100000087531_100000210303 [1,0,0,1,0,0|1,0,0]=3 2539 B11R1.180 CSCOCC1=CCCC1=O 34a_100000087531_100011218213 [1,0,0,1,0,0|2,0,0]=4 2540 B11R1.180 C[C@@H]1CCCN1CCCC=O 2230a_100015189458_200011292268 [1,0,0,1,0,0|1,0,1]=4 2541 B11R1.180 C[C@@H]1CCCN1CCCC=O 269982a_100015189458_200011292268 [1,0,0,1,0,0|1,0,1]=4 2542 B11R1.180 C[C@H]1CCCN1CCCC=O 2230a_100020605311_200011292268 [1,0,0,1,0,0|1,0,1]=4 2543 B11R1.180 C[C@H]1CCCN1CCCC=O 269982a_100020605311_200011292268 [1,0,0,1,0,0|1,0,1]=4 2544 B11R1.180 O=C1CCC=C1COCCF 34a_100000087531_100011217306 [1,0,0,1,0,0|2,0,0]=4 2545 B11R1.180 O=C1CCC=C1COCCO 34a_100000087531_100000211926 [1,0,0,1,0,0|2,0,0]=4 2546 B11R1.190 CCCCCOC1CCC1=O 34a_100000210253_100009892977 [1,0,0,1,0,0|1,0,1]=4 2547 B11R1.190 CCCCCOC1CCC1=O 7a_100000210253_100009892977 [1,0,0,1,0,0|1,0,1]=4 2548 B11R1.190 CCCCCSC1CCC1=O 62a_100000210326_100009892977 [1,0,0,1,0,0|1,0,1]=4 2549 B11R1.190 CCCCCSC1CCC1=O 62a_100009892977_100000210326 [1,0,0,1,0,0|1,0,1]=4 2550 B13R1.27 CCCCCCOC1COC(=O)O1 34a_100000210259_100000032252 [0,1,0,1,0,0|1,0,1]=4 2551 B13R1.27 CCCCCCSC1COC(=O)O1 62a_100000210314_100000032252 [0,1,0,1,0,0|1,0,1]=4 2552 B13R1.27 CCCCCNCC1CNC(=O)O1 2230a_100000209983_100000181169 [0,1,0,1,0,0|1,0,1]=4 2553 B13R1.27 CCCCCOCC1CNC(=O)O1 34a_100000210253_100000181169 [0,1,0,1,0,0|1,0,1]=4 2554 B13R1.27 CCCCCOCC1CNC(=O)O1 34a_100011315639_100000718602 [0,1,0,1,0,0|1,0,1]=4 2555 B13R1.27 CCCCCOCC1CNC(=O)O1 7a_100000210253_100000181169 [0,1,0,1,0,0|1,0,1]=4 2556 B13R1.27 CCCCCOCC1COC(=O)O1 34a_100000210253_100000073702 [0,1,0,1,0,0|1,0,1]=4 2557 B13R1.27 CCCCCSCC1CNC(=O)O1 62a_100000181169_100000210326 [0,1,0,1,0,0|1,0,1]=4 2558 B13R1.27 CCCCCSCC1CNC(=O)O1 62a_100000210326_100000181169 [0,1,0,1,0,0|1,0,1]=4 2559 B13R1.27 CCCCCSCC1COC(=O)O1 62a_100000073702_100000210326 [0,1,0,1,0,0|1,0,1]=4 2560 B13R1.27 CCCCCSCC1COC(=O)O1 62a_100000210326_100000073702 [0,1,0,1,0,0|1,0,1]=4 2561 B13R1.348 NC(=O)CC(=O)C=C1CCCCC1 1458a_100000743792_100000187820 [0,1,0,1,0,0|1,0,1]=4 2562 B13R1.348 O=C([O-])CC(=O)C=C1CCCCC1 1458a_100000743792_100020667443 [0,1,0,1,0,0|0,0,2]=4 2563 B13R1.593 O=C(O)CC(O)CNC1CCCC1 269956a_100011218706_100000179811 [0,1,0,1,0,0|1,0,1]=4 2564 B13R1.1154 CCCCCN1CC(C1)CC(=O)O 269956a_100016993960_100000210326 [0,1,0,1,0,0|1,0,1]=4 2565 B13R1.2027 O=C(O)CC(O)CNCC1CCC1 269956a_100011218706_100000763275 [0,1,0,1,0,0|1,0,1]=4 2566 B13R1.2028 O=C(O)CC(O)CNCCC1CC1 269956a_100011218706_100000694398 [0,1,0,1,0,0|1,0,1]=4 2567 B13R1.337 O=C(O)CNCCC1CCCCC1 269956a_100016091260_100011273959 [0,1,0,1,0,0|0,0,2]=4 2568 B13R1.337 O=C(O)CNCCN1CCCCC1 269956a_100016091260_100000739454 [0,1,0,1,0,0|1,0,1]=4 2569 B13R1.337 O=C(O)CNCOC1CCCCC1 269956a_100016091260_100011935260 [0,1,0,1,0,0|1,0,1]=4 2570 B13R1.2510 CCCCC(C)N1CCC1C(=O)O 269956a_100000021838_200011215066 [0,1,0,1,0,0|1,0,1]=4 2571 B13R1.538 COC(=O)CCCOCC1CC1C 34a_100000744939_100000742333 [0,1,0,1,0,0|1,0,1]=4 2572 B13R1.538 COC(=O)CCCOCC1CC1C 7a_100000744939_100011218270 [0,1,0,1,0,0|1,0,1]=4 2573 B13R1.586 O=C(O)COCCNCC1CCC1 269956a_100000700818_100000763275 [0,1,0,1,0,0|1,0,1]=4 2574 B13R1.594 COC(=O)CCC=NNCC1CC1 4a_100000736359_100012047195 [0,1,0,1,0,0|2,0,0]=4 2575 B13R1.594 COC(=O)CCCNCCC1CC1 34a_100000764129_100000742333 [0,1,0,1,0,0|1,0,1]=4 2576 B13R1.594 COC(=O)CCCOCCC1CC1 34a_100000754188_100000742333 [0,1,0,1,0,0|1,0,1]=4 2577 B13R1.594 COC(=O)CCCOCCC1CC1 7a_100000754188_100011218270 [0,1,0,1,0,0|1,0,1]=4 2578 B13R1.594 COC(=O)CCCSCCC1CC1 62a_100000764125_100011218270 [0,1,0,1,0,0|1,0,1]=4 2579 B13R1.594 COC(=O)CCCSCCC1CC1 62a_100011218270_100000764125 [0,1,0,1,0,0|1,0,1]=4 2580 B13R1.23 CCCCCC(=O)C1CCC(=O)N1 1458a_100000210400_100000210326 [0,1,0,1,0,0|1,0,1]=4 2581 B13R1.23 CCCCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000210326 [0,1,0,1,0,0|0,0,1]=3 2582 B13R1.23 CCCCNC(=O)[C@@H]1CCC(=O)O1 11a_100000102301_100009814974 [0,1,0,1,0,0|1,0,1]=4 2583 B13R1.23 CCCCNC(=O)[C@@H]1CCC(=O)O1 1626a_100000102301_100009814974 [0,1,0,1,0,0|1,0,1]=4 2584 B13R1.23 CCCCNC(=O)[C@@H]1CCC(=O)O1 240690a_100000102301_100009814974 [0,1,0,1,0,0|1,0,1]=4 2585 B13R1.23 CCCCNC(=O)[C@@H]1CCC(=O)O1 527a_100000102301_100009814974 [0,1,0,1,0,0|1,0,1]=4 2586 B13R1.23 CCOCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100011215890 [0,1,0,1,0,0|1,0,1]=4 2587 B13R1.23 CCSCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000757381 [0,1,0,1,0,0|1,0,1]=4 2588 B13R1.23 COCCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000740836 [0,1,0,1,0,0|1,0,1]=4 2589 B13R1.23 O=C1CC[C@H](O1)C(=O)CCCCF 1458a_100009814974_100000729493 [0,1,0,1,0,0|1,0,1]=4 2590 B13R1.23 O=C1CC[C@H](O1)C(=O)CCCCO 1458a_100009814974_100000210776 [0,1,0,1,0,0|1,0,1]=4 2591 B13R1.280 CC(=O)CCN1CCCCCC1=O 1458a_200011207554_200000210301 [0,1,0,1,0,0|2,0,0]=4 2592 B13R1.280 O=C(O)CNC1CCCCCC1=O 269956a_100016091260_100000243696 [0,1,0,1,0,0|1,0,1]=4 2593 B13R1.280 [13CH3]C(=O)CCN1CCCCCC1=O 1458a_200011207554_200025704644 [0,1,0,1,0,0|2,0,0]=4 2594 B13R1.342 CC(=O)CCCC(=O)C1CCCC1 1458a_100000210718_100011215641 [0,1,0,1,0,0|1,0,1]=4 2595 B13R1.342 CN(CCCC(=O)O)C1CCCC1 269956a_100000719178_100000179811 [0,1,0,1,0,0|1,0,1]=4 2596 B13R1.342 NC(=O)CCCC(=O)C1CCCC1 1458a_100000210718_100102525003 [0,1,0,1,0,0|1,0,1]=4 2597 B13R1.342 NC(=O)CCNC(=O)C1CCCC1 11a_100000740010_100000210718 [0,1,0,1,0,0|2,0,0]=4 2598 B13R1.342 NC(=O)CCNC(=O)C1CCCC1 240690a_100000740010_100000210718 [0,1,0,1,0,0|2,0,0]=4 2599 B13R1.342 NC(=O)CCNC(=O)C1CCCC1 527a_100000740010_100000210718 [0,1,0,1,0,0|2,0,0]=4 2600 B13R1.727 CCCCCC(=O)CC1CC(=O)C1 1458a_100000212188_100009874392 [0,1,0,1,0,0|1,0,1]=4 2601 B13R1.1047 CC(=O)CCCC(=O)CC1CCC1 1458a_100000763092_100011215641 [0,1,0,1,0,0|1,0,1]=4 2602 B13R1.1047 CN(CCCC(=O)O)CC1CCC1 269956a_100000719178_100000763275 [0,1,0,1,0,0|1,0,1]=4 2603 B13R1.1047 NC(=O)CCCC(=O)CC1CCC1 1458a_100000763092_100102525003 [0,1,0,1,0,0|1,0,1]=4 2604 B13R1.1047 NC(=O)CCNC(=O)CC1CCC1 11a_100000740010_100000763092 [0,1,0,1,0,0|2,0,0]=4 2605 B13R1.1047 NC(=O)CCNC(=O)CC1CCC1 240690a_100000740010_100000763092 [0,1,0,1,0,0|2,0,0]=4 2606 B13R1.1047 NC(=O)CCNC(=O)CC1CCC1 527a_100000740010_100000763092 [0,1,0,1,0,0|2,0,0]=4 2607 B13R1.1048 CC(=O)CCCC(=O)CCC1CC1 1458a_100000756386_100011215641 [0,1,0,1,0,0|1,0,1]=4 2608 B13R1.1048 CN(CCCC(=O)O)CCC1CC1 269956a_100000719178_100000694398 [0,1,0,1,0,0|1,0,1]=4 2609 B13R1.1048 NC(=O)CCCC(=O)CCC1CC1 1458a_100000756386_100102525003 [0,1,0,1,0,0|1,0,1]=4 2610 B13R1.1048 NC(=O)CCNC(=O)CCC1CC1 11a_100000740010_100000756386 [0,1,0,1,0,0|2,0,0]=4 2611 B13R1.1048 NC(=O)CCNC(=O)CCC1CC1 240690a_100000740010_100000756386 [0,1,0,1,0,0|2,0,0]=4 2612 B13R1.1048 NC(=O)CCNC(=O)CCC1CC1 527a_100000740010_100000756386 [0,1,0,1,0,0|2,0,0]=4 2613 B13R1.1988 O=C(O)CNCC1CCCCCC1 269956a_100016091260_200000696569 [0,1,0,1,0,0|0,0,2]=4 2614 B13R1.2294 CCC1CC1C(=O)CCCC(=O)C 1458a_200011661523_100011215641 [0,1,0,1,0,0|1,0,1]=4 2615 B13R1.2294 CCC1CC1C(=O)CCCC(=O)N 1458a_200011661523_100102525003 [0,1,0,1,0,0|1,0,1]=4 2616 B13R1.2294 CCC1CC1C(=O)NCCC(=O)N 11a_100000740010_200011661523 [0,1,0,1,0,0|2,0,0]=4 2617 B13R1.2294 CCC1CC1C(=O)NCCC(=O)N 240690a_100000740010_200011661523 [0,1,0,1,0,0|2,0,0]=4 2618 B13R1.2294 CCC1CC1C(=O)NCCC(=O)N 527a_100000740010_200011661523 [0,1,0,1,0,0|2,0,0]=4 2619 B13R1.90 CCN1CCCCC1CCC(=O)O 269956a_100000694054_100000210202 [0,1,0,1,0,0|0,0,2]=4 2620 B13R1.224 CCCN1CCCCCC1C(=O)O 269956a_100000758484_100000210207 [0,1,0,1,0,0|0,0,2]=4 2621 B13R1.343 O=C(O)CNCCCC1CCCC1 269956a_100016091260_100011713738 [0,1,0,1,0,0|0,0,2]=4 2622 B13R1.343 O=C(O)COCCNC1CCCC1 269956a_100000700818_100000179811 [0,1,0,1,0,0|1,0,1]=4 2623 B13R1.572 CCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210211 [0,1,0,1,0,0|0,0,2]=4 2624 B13R1.572 CCCCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000210211 [0,1,0,1,0,0|1,0,1]=4 2625 B13R1.572 CCCCN1CCSCC1C(=O)O 269956a_100011346106_100000210211 [0,1,0,1,0,0|1,0,1]=4 2626 B13R1.572 CCCCN1CSCCC1C(=O)O 269956a_100015185162_100000210211 [0,1,0,1,0,0|1,0,1]=4 2627 B13R1.572 CCCN[C@@H]1CC=CC[C@H]1C(=O)N 34a_100032748912_100000210303 [0,1,0,1,0,0|1,0,0]=3 2628 B13R1.572 CCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000210207 [0,1,0,1,0,0|0,0,2]=4 2629 B13R1.572 CSCN[C@@H]1CC=CC[C@H]1C(=O)N 34a_100032748912_100011218213 [0,1,0,1,0,0|2,0,0]=4 2630 B13R1.572 NC(=O)[C@@H]1CC=CC[C@H]1NCCF 34a_100032748912_100011217306 [0,1,0,1,0,0|2,0,0]=4 2631 B13R1.572 NC(=O)[C@@H]1CC=CC[C@H]1NCCO 34a_100032748912_100000211926 [0,1,0,1,0,0|2,0,0]=4 2632 B13R1.578 C=C(C)CN1CC=CC1CCCC 2230a_100015184376_100000748629 [0,1,0,1,0,0|2,0,0]=4 2633 B13R1.578 C=C(C)CN1CC=CC1CCCC 269982a_100015184376_100000748629 [0,1,0,1,0,0|2,0,0]=4 2634 B13R1.578 C=C(C)CN1CC=CC1CCCC 34a_100015184376_100000748629 [0,1,0,1,0,0|2,0,0]=4 2635 B13R1.578 C=C(F)CN1CC=CC1CCCC 2230a_100015184376_100009893438 [0,1,0,1,0,0|2,0,0]=4 2636 B13R1.578 C=C(F)CN1CC=CC1CCCC 269982a_100015184376_100009893438 [0,1,0,1,0,0|2,0,0]=4 2637 B13R1.578 C=C(F)CN1CC=CC1CCCC 34a_100015184376_100009893438 [0,1,0,1,0,0|2,0,0]=4 2638 B13R1.578 CCCCC1C=CCN1CC(=O)N 2230a_100015184376_100000747473 [0,1,0,1,0,0|1,0,0]=3 2639 B13R1.578 CCCCC1C=CCN1CC(=O)N 269982a_100015184376_100000187820 [0,1,0,1,0,0|1,0,0]=3 2640 B13R1.578 CCCCC1C=CCN1CC(=O)N 34a_100015184376_100000187820 [0,1,0,1,0,0|1,0,0]=3 2641 B13R1.578 CCCCC1C=CCN1CC(=O)[O-] 269982a_100015184376_100020667443 [0,1,0,1,0,0|0,0,1]=3 2642 B13R1.578 CCCCC1C=CCN1CC(=O)[O-] 34a_100015184376_100020667443 [0,1,0,1,0,0|0,0,1]=3 2643 B13R1.578 CCCCC1C=CCN1CC(C)O 2230a_100015184376_100011218427 [0,1,0,1,0,0|1,0,1]=4 2644 B13R1.578 CCCCC1C=CCN1CC(C)O 269982a_100015184376_100011218427 [0,1,0,1,0,0|1,0,1]=4 2645 B13R1.578 CCCCC1C=CCN1CC(C)O 34a_100015184376_100011218427 [0,1,0,1,0,0|1,0,1]=4 2646 B13R1.578 CCCCC1C=CCN1C[C@@H](C)O 2230a_100015184376_100009817552 [0,1,0,1,0,0|1,0,1]=4 2647 B13R1.578 CCCCC1C=CCN1C[C@@H](C)O 269982a_100015184376_100009817552 [0,1,0,1,0,0|1,0,1]=4 2648 B13R1.578 CCCCC1C=CCN1C[C@@H](C)O 34a_100015184376_100009817552 [0,1,0,1,0,0|1,0,1]=4 2649 B13R1.578 CCCCC1C=CCN1C[N+](=O)[O-] 269982a_100015184376_100000761209 [0,1,0,1,0,0|1,0,1]=4 2650 B13R1.578 CCCCC1C=CCN1C[N+](=O)[O-] 34a_100015184376_100000761209 [0,1,0,1,0,0|1,0,1]=4 2651 B13R1.614 CN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_200000210301 [0,1,0,1,0,0|0,0,2]=4 2652 B13R1.614 [13CH3]N[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_200025704644 [0,1,0,1,0,0|0,0,2]=4 2653 B13R1.659 CCCCC/C=C/COCC1CO1 34a_100016258190_102125554688 [0,1,0,1,0,0|1,0,1]=4 2654 B13R1.659 CCCCC/C=C/COCC1CO1 7a_100016258190_102125554688 [0,1,0,1,0,0|1,0,1]=4 2655 B13R1.659 CCCCC/C=C/COC[C@@H]1CO1 7a_100016258190_100000745022 [0,1,0,1,0,0|1,0,1]=4 2656 B13R1.670 CCCCCN1CC=C[C@H]1C(=O)O 269956a_100000057196_100000210326 [0,1,0,1,0,0|0,0,2]=4 2657 B13R1.670 CCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210326 [0,1,0,1,0,0|0,0,2]=4 2658 B13R1.670 CCCCCN1CCSC1C(=O)O 269956a_100000035718_100000210326 [0,1,0,1,0,0|1,0,1]=4 2659 B13R1.670 CCCCCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000210326 [0,1,0,1,0,0|1,0,1]=4 2660 B13R1.1022 C=C(C)COC1C=CCCCCC1 34a_100000688657_100000748629 [0,1,0,1,0,0|2,0,0]=4 2661 B13R1.1022 C=C(F)COC1C=CCCCCC1 34a_100000688657_100009893438 [0,1,0,1,0,0|2,0,0]=4 2662 B13R1.1022 CC(O)COC1C=CCCCCC1 34a_100000688657_100011218427 [0,1,0,1,0,0|1,0,1]=4 2663 B13R1.1022 C[C@@H](O)COC1C=CCCCCC1 34a_100000688657_100009817552 [0,1,0,1,0,0|1,0,1]=4 2664 B13R1.1022 NC(=O)COC1C=CCCCCC1 34a_100000688657_100000187820 [0,1,0,1,0,0|1,0,0]=3 2665 B13R1.1022 O=C([O-])COC1C=CCCCCC1 34a_100000688657_100020667443 [0,1,0,1,0,0|0,0,1]=3 2666 B13R1.1022 O=[N+]([O-])COC1C=CCCCCC1 34a_100000688657_100000761209 [0,1,0,1,0,0|1,0,1]=4 2667 B13R1.1052 O=C(O)COCCNCCC1CC1 269956a_100000700818_100000694398 [0,1,0,1,0,0|1,0,1]=4 2668 B13R1.3435 CCCCCCN1CCC1C(=O)O 269956a_100000021838_100000210757 [0,1,0,1,0,0|0,0,2]=4 2669 B13R1.3435 CCCCOCN1CCC1C(=O)O 269956a_100000021838_100011995733 [0,1,0,1,0,0|1,0,1]=4 2670 B13R1.3435 CCCOCCN1CCC1C(=O)O 269956a_100000021838_100011215938 [0,1,0,1,0,0|1,0,1]=4 2671 B13R1.3435 CCOCCCN1CCC1C(=O)O 269956a_100000021838_100012232248 [0,1,0,1,0,0|1,0,1]=4 2672 B13R1.3435 COCCCCN1CCC1C(=O)O 269956a_100000021838_100000730899 [0,1,0,1,0,0|1,0,1]=4 2673 B13R1.3435 O=C(O)C1CCN1CCCCCF 269956a_100000021838_100000729378 [0,1,0,1,0,0|1,0,1]=4 2674 B13R1.3435 O=C(O)C1CCN1CCCCCO 269956a_100000021838_100000746330 [0,1,0,1,0,0|1,0,1]=4 2675 B13R1.528 COC(=O)CCN1CCCCC1C 2230a_100000211376_100000204255 [0,1,0,1,0,0|1,0,1]=4 2676 B13R1.528 COC(=O)CCN1CCCCC1C 269982a_100000211376_100000204255 [0,1,0,1,0,0|1,0,1]=4 2677 B13R1.528 COC(=O)CCN1CCCCC1C 34a_100000211376_100000742370 [0,1,0,1,0,0|1,0,1]=4 2678 B13R1.536 COC(=O)CCCNC1CCCC1 2230a_100000211070_100011218270 [0,1,0,1,0,0|1,0,1]=4 2679 B13R1.536 COC(=O)CCCNC1CCCC1 34a_100000211070_100000742333 [0,1,0,1,0,0|1,0,1]=4 2680 B13R1.536 COC(=O)CCCOC1CCCC1 34a_100000210269_100000742333 [0,1,0,1,0,0|1,0,1]=4 2681 B13R1.536 COC(=O)CCCOC1CCCC1 7a_100000210269_100011218270 [0,1,0,1,0,0|1,0,1]=4 2682 B13R1.536 COC(=O)CCCSC1CCCC1 62a_100011217020_100011218270 [0,1,0,1,0,0|1,0,1]=4 2683 B13R1.536 COC(=O)CCCSC1CCCC1 62a_100011218270_100000179811 [0,1,0,1,0,0|1,0,1]=4 2684 B13R1.536 COC(=O)CCNCC1CCCC1 2230a_100000737975_100000204255 [0,1,0,1,0,0|1,0,1]=4 2685 B13R1.536 COC(=O)CCNCC1CCCC1 34a_100000737975_100000742370 [0,1,0,1,0,0|1,0,1]=4 2686 B13R1.536 COC(=O)CCOCC1CCCC1 34a_100000742336_100000742370 [0,1,0,1,0,0|1,0,1]=4 2687 B13R1.536 COC(=O)CCOCC1CCCC1 7a_100000742336_100000204255 [0,1,0,1,0,0|1,0,1]=4 2688 B13R1.536 COC(=O)CCSCC1CCCC1 62a_100000204255_100000740388 [0,1,0,1,0,0|1,0,1]=4 2689 B13R1.536 COC(=O)CCSCC1CCCC1 62a_100000740388_100000204255 [0,1,0,1,0,0|1,0,1]=4 2690 B13R1.539 COC(=O)CCC=NNC1CCC1 4a_100000736358_100012047195 [0,1,0,1,0,0|2,0,0]=4 2691 B13R1.539 COC(=O)CCCNCC1CCC1 2230a_100000738700_100011218270 [0,1,0,1,0,0|1,0,1]=4 2692 B13R1.539 COC(=O)CCCNCC1CCC1 34a_100000738700_100000742333 [0,1,0,1,0,0|1,0,1]=4 2693 B13R1.539 COC(=O)CCCOCC1CCC1 34a_100000760304_100000742333 [0,1,0,1,0,0|1,0,1]=4 2694 B13R1.539 COC(=O)CCCSCC1CCC1 62a_100000763275_100011218270 [0,1,0,1,0,0|1,0,1]=4 2695 B13R1.539 COC(=O)CCCSCC1CCC1 62a_100011218270_100000763275 [0,1,0,1,0,0|1,0,1]=4 2696 B13R1.581 C=CC(=O)N1CC=CC1CCCC 1626a_100015184376_100000185746 [0,1,0,1,0,0|2,0,0]=4 2697 B13R1.581 C=CC(=O)N1CC=CC1CCCC 240690a_100015184376_200121576911 [0,1,0,1,0,0|2,0,0]=4 2698 B13R1.581 CCCCC1C=CCN1C(=O)CC 11a_100015184376_100000210414 [0,1,0,1,0,0|2,0,0]=4 2699 B13R1.581 CCCCC1C=CCN1C(=O)CC 1626a_100015184376_100000210414 [0,1,0,1,0,0|2,0,0]=4 2700 B13R1.581 CCCCC1C=CCN1C(=O)CC 240690a_100015184376_100000210414 [0,1,0,1,0,0|2,0,0]=4 2701 B13R1.581 CCCCC1C=CCN1C(=O)CC 527a_100015184376_100000210414 [0,1,0,1,0,0|2,0,0]=4 2702 B13R1.581 CCCCC1C=CCN1C(=O)CO 240690a_100015184376_100000210174 [0,1,0,1,0,0|1,0,0]=3 2703 B13R1.581 CCCCC1C=CCN1C(=O)CO 527a_100015184376_100000210174 [0,1,0,1,0,0|1,0,0]=3 2704 B13R1.581 CCCCC1C=CCN1C(=O)NC 2708a_100102657272_100015184376 [0,1,0,1,0,0|2,0,0]=4 2705 B13R1.581 CCCCC1C=CCN1C(=O)NC 273464a_100102657272_100015184376 [0,1,0,1,0,0|2,0,0]=4 2706 B13R1.599 COC(=O)CCCN1CCC[C@@H]1C 2230a_100020605311_100011218270 [0,1,0,1,0,0|1,0,1]=4 2707 B13R1.599 COC(=O)CCCN1CCC[C@@H]1C 269982a_100020605311_100011218270 [0,1,0,1,0,0|1,0,1]=4 2708 B13R1.599 COC(=O)CCCN1CCC[C@H]1C 2230a_100015189458_100011218270 [0,1,0,1,0,0|1,0,1]=4 2709 B13R1.599 COC(=O)CCCN1CCC[C@H]1C 269982a_100015189458_100011218270 [0,1,0,1,0,0|1,0,1]=4 2710 B13R1.599 COC(=O)CCCN1CCC[C@H]1C 34a_100015189458_100000742333 [0,1,0,1,0,0|1,0,1]=4 2711 B13R1.599 COC(=O)CCOC1CCCC1C 34a_100011216460_100000742370 [0,1,0,1,0,0|1,0,1]=4 2712 B13R1.599 COC(=O)CCOC1CCCC1C 7a_100011216460_100000204255 [0,1,0,1,0,0|1,0,1]=4 2713 B13R1.613 CCC1CCCN1CCC(=O)OC 2230a_100000754278_100000204255 [0,1,0,1,0,0|1,0,1]=4 2714 B13R1.613 CCC1CCCN1CCC(=O)OC 269982a_100000754278_100000204255 [0,1,0,1,0,0|1,0,1]=4 2715 B13R1.613 CCC1CCCN1CCC(=O)OC 34a_100000754278_100000742370 [0,1,0,1,0,0|1,0,1]=4 2716 B13R1.718 COC(=O)CCNC1CCCCC1 2230a_100000182618_100000204255 [0,1,0,1,0,0|1,0,1]=4 2717 B13R1.718 COC(=O)CCNC1CCCCC1 34a_100000182618_100000742370 [0,1,0,1,0,0|1,0,1]=4 2718 B13R1.718 COC(=O)CCOC1CCCCC1 34a_100000210231_100000742370 [0,1,0,1,0,0|1,0,1]=4 2719 B13R1.718 COC(=O)CCOC1CCCCC1 7a_100000210231_100000204255 [0,1,0,1,0,0|1,0,1]=4 2720 B13R1.718 COC(=O)CCSC1CCCCC1 62a_100000204255_100000210327 [0,1,0,1,0,0|1,0,1]=4 2721 B13R1.718 COC(=O)CCSC1CCCCC1 62a_100000210327_100000204255 [0,1,0,1,0,0|1,0,1]=4 2722 B13R1.718 O=C(CO)CCCC1CCCCC1 1458a_100000210174_100011713725 [0,1,0,1,0,0|0,0,2]=4 2723 B13R1.718 O=C(CO)CCCN1CCCCC1 1458a_100000210174_100000690320 [0,1,0,1,0,0|1,0,1]=4 2724 B13R1.718 O=C(CO)CCOC1CCCCC1 1458a_100000210174_100011211530 [0,1,0,1,0,0|1,0,1]=4 2725 B13R1.1711 COC(=O)CCN1CCCCCC1 2230a_100000185865_100000204255 [0,1,0,1,0,0|1,0,1]=4 2726 B13R1.1711 COC(=O)CCN1CCCCCC1 269982a_100000185865_100000204255 [0,1,0,1,0,0|1,0,1]=4 2727 B13R1.1711 COC(=O)CCN1CCCCCC1 34a_100000185865_100000742370 [0,1,0,1,0,0|1,0,1]=4 2728 B13R1.1711 O=C(CO)CCN1CCCCCC1 1458a_100000210174_100000722644 [0,1,0,1,0,0|1,0,1]=4 2729 B13R1.1885 CCCCCCN1CC1C(=O)OC 2230a_200009830135_100000210314 [0,1,0,1,0,0|1,0,1]=4 2730 B13R1.2855 CCCCCN1CC[C@H]1C(=O)OC 2230a_102516456887_100000210326 [0,1,0,1,0,0|1,0,1]=4 2731 B13R1.2855 CCCCCN1CC[C@H]1C(=O)OC 269982a_102516456887_100000210215 [0,1,0,1,0,0|1,0,1]=4 2732 B13R1.351 CC(CNC1CCCCC1)C(=O)O 269956a_100000749485_100000210327 [0,1,0,1,0,0|1,0,1]=4 2733 B13R1.351 O=C(O)C(F)CNC1CCCCC1 269956a_100000084737_100000210327 [0,1,0,1,0,0|1,0,1]=4 2734 B13R1.1110 CC(CNCC1CCCC1)C(=O)O 269956a_100000749485_100000740388 [0,1,0,1,0,0|1,0,1]=4 2735 B13R1.1110 O=C(O)C(F)CNCC1CCCC1 269956a_100000084737_100000740388 [0,1,0,1,0,0|1,0,1]=4 2736 B13R1.1889 CCCCCN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100000210326 [0,1,0,1,0,0|1,0,1]=4 2737 B13R1.45 CC(=O)CCC(=O)N1CCCCC1 1458a_100000070787_100102558178 [0,1,0,1,0,0|2,0,0]=4 2738 B13R1.45 CC(=O)CCC(=O)N1CCCCC1 1458a_200000243808_200000210301 [0,1,0,1,0,0|2,0,0]=4 2739 B13R1.45 NC(=O)CCC(=O)C1CCCCC1 1458a_100011215257_100000210327 [0,1,0,1,0,0|1,0,1]=4 2740 B13R1.45 [13CH3]C(=O)CCC(=O)N1CCCCC1 1458a_200000243808_200025704644 [0,1,0,1,0,0|2,0,0]=4 2741 B13R1.168 C[C@@H]1CCCN1C(=O)CCC(=O)N 240690a_100015189458_100011215257 [0,1,0,1,0,0|2,0,0]=4 2742 B13R1.168 C[C@@H]1CCCN1C(=O)CCC(=O)N 527a_100015189458_100011215257 [0,1,0,1,0,0|2,0,0]=4 2743 B13R1.168 C[C@H]1CCCN1C(=O)CCC(=O)N 240690a_100020605311_100011215257 [0,1,0,1,0,0|2,0,0]=4 2744 B13R1.168 C[C@H]1CCCN1C(=O)CCC(=O)N 527a_100020605311_100011215257 [0,1,0,1,0,0|2,0,0]=4 2745 B13R1.344 CC(=O)CCC(=O)NC1CCCC1 1458a_100000070787_100000743710 [0,1,0,1,0,0|2,0,0]=4 2746 B13R1.344 CC(=O)CCC(=O)NC1CCCC1 1458a_100000199707_200000210301 [0,1,0,1,0,0|2,0,0]=4 2747 B13R1.344 NC(=O)CCC(=O)CC1CCCC1 1458a_100011215257_100000740388 [0,1,0,1,0,0|1,0,1]=4 2748 B13R1.344 NC(=O)CCC(=O)NC1CCCC1 240690a_100000211070_100011215257 [0,1,0,1,0,0|2,0,0]=4 2749 B13R1.344 NC(=O)CCC(=O)NC1CCCC1 527a_100000211070_100011215257 [0,1,0,1,0,0|2,0,0]=4 2750 B13R1.344 [13CH3]C(=O)CCC(=O)NC1CCCC1 1458a_100000199707_200025704644 [0,1,0,1,0,0|2,0,0]=4 2751 B13R1.1054 NC(=O)CCC(=O)NCC1CCC1 240690a_100000738700_100011215257 [0,1,0,1,0,0|2,0,0]=4 2752 B13R1.1054 NC(=O)CCC(=O)NCC1CCC1 527a_100000738700_100011215257 [0,1,0,1,0,0|2,0,0]=4 2753 B13R1.1055 NC(=O)CCC(=O)NCCC1CC1 240690a_100000764129_100011215257 [0,1,0,1,0,0|2,0,0]=4 2754 B13R1.1055 NC(=O)CCC(=O)NCCC1CC1 527a_100000764129_100011215257 [0,1,0,1,0,0|2,0,0]=4 2755 B13R1.2919 CCCCCCC(=O)[C@@H]1CC(=O)N1 1458a_100016090685_100000210757 [0,1,0,1,0,0|1,0,1]=4 2756 B13R1.2919 CCCCCNC(=O)[C@@H]1CC(=O)N1 527a_100000209983_100016090685 [0,1,0,1,0,0|2,0,0]=4 2757 B13R1.589 CC(C)N[C@@H]1CC=CC[C@H]1C(=O)N 34a_100032748912_100000210206 [0,1,0,1,0,0|2,0,0]=4 2758 B13R1.1065 CC(C)CCCN1CCC1C(=O)O 269956a_100000021838_100011214892 [0,1,0,1,0,0|1,0,1]=4 2759 B13R1.1065 CC(O)CCCN1CCC1C(=O)O 269956a_100000021838_200000718107 [0,1,0,1,0,0|1,0,1]=4 2760 B13R1.1474 CCCC(C)CN1CCC1C(=O)O 269956a_100000021838_100011216630 [0,1,0,1,0,0|1,0,1]=4 2761 B13R2.432 O=C(O)C1CCN1C2CCCC2 269956a_100000021838_100000179811 [0,0,0,2,0,0|1,0,1]=4 2762 B13R2.13743 O=C(O)C1CCN1CC2CCC2 269956a_100000021838_100000763275 [0,0,0,2,0,0|1,0,1]=4 2763 B13R2.5563 O=C(O)C1CCN1CCC2CC2 269956a_100000021838_100000694398 [0,0,0,2,0,0|1,0,1]=4 2764 B8R0.4 CC/C=C/CCCOC 34a_100016287902_200000210301 [3,0,0,0,0,0|1,0,0]=4 2765 B8R0.4 CC/C=C/CCCOC 7a_100016287902_200000210301 [3,0,0,0,0,0|1,0,0]=4 2766 B8R0.4 CC/C=C/CCCO[13CH3] 34a_100016287902_200025704644 [3,0,0,0,0,0|1,0,0]=4 2767 B8R0.4 CC/C=C/CCCO[13CH3] 7a_100016287902_200025704644 [3,0,0,0,0,0|1,0,0]=4 2768 B8R0.4 CC/C=C\CCNCC 2230a_100015525214_100015370543 [3,0,0,0,0,0|1,0,0]=4 2769 B8R0.4 CC/C=C\CCOCC 34a_100016288707_100000210202 [3,0,0,0,0,0|1,0,0]=4 2770 B8R0.4 CC/C=C\CCOCC 34a_100121572206_100015370543 [3,0,0,0,0,0|1,0,0]=4 2771 B8R0.4 CC/C=C\CCOCC 7a_100016288707_100000210202 [3,0,0,0,0,0|1,0,0]=4 2772 B8R0.4 CC/C=C\CCSCC 62a_100000210202_100015370543 [3,0,0,0,0,0|1,0,0]=4 2773 B8R0.4 CC/C=C\CCSCC 62a_100015370543_100000210202 [3,0,0,0,0,0|1,0,0]=4 2774 B8R0.4 CC/C=C\COCCC 34a_100000210258_100103147603 [3,0,0,0,0,0|1,0,0]=4 2775 B8R0.4 CC/C=C\COCCC 34a_100016268518_100000210303 [3,0,0,0,0,0|1,0,0]=4 2776 B8R0.4 CC/C=C\CSCCC 62a_100000210303_100103147603 [3,0,0,0,0,0|1,0,0]=4 2777 B8R0.4 CC/C=C\CSCCC 62a_100103147603_100000210303 [3,0,0,0,0,0|1,0,0]=4 2778 B8R0.4 CCCCCNCC=O 2230a_100000209983_200015260668 [3,0,0,0,0,0|1,0,0]=4 2779 B8R0.4 CCCCCNCCO 2230a_100000209983_100000211926 [3,0,0,0,0,0|1,0,0]=4 2780 B8R0.4 CCCCCNCCO 2230a_100016997473_100000210326 [3,0,0,0,0,0|1,0,0]=4 2781 B8R0.4 CCCCCNCCO 34a_100016990907_100000718602 [3,0,0,0,0,0|1,0,0]=4 2782 B8R0.4 CCCCCOCC=O 34a_100000210253_200009817547 [3,0,0,0,0,0|1,0,0]=4 2783 B8R0.4 CCCCCOCC=O 7a_100000210253_200015260668 [3,0,0,0,0,0|1,0,0]=4 2784 B8R0.4 CCCCCOCCO 34a_100000210253_100000211926 [3,0,0,0,0,0|1,0,0]=4 2785 B8R0.4 CCCCCOCCO 7a_100000210253_100000211926 [3,0,0,0,0,0|1,0,0]=4 2786 B8R0.4 CCCCCSCC=O 62a_100000210326_200015260668 [3,0,0,0,0,0|1,0,0]=4 2787 B8R0.4 CCCCCSCC=O 62a_200015260668_100000210326 [3,0,0,0,0,0|1,0,0]=4 2788 B8R0.4 CCCCCSCCO 62a_100000210326_100000211926 [3,0,0,0,0,0|1,0,0]=4 2789 B8R0.4 CCCCCSCCO 62a_100000211926_100000210326 [3,0,0,0,0,0|1,0,0]=4 2790 B8R0.4 CCCSCCCC=O 62a_100000210303_200011292268 [3,0,0,0,0,0|1,0,0]=4 2791 B8R0.4 CCCSCCCC=O 62a_200011292268_100000210303 [3,0,0,0,0,0|1,0,0]=4 2792 B8R0.4 CCNCCCCC=O 2230a_100015525214_100000139335 [3,0,0,0,0,0|1,0,0]=4 2793 B8R0.4 CCSCCCCC=O 62a_100000139335_100000210202 [3,0,0,0,0,0|1,0,0]=4 2794 B8R0.4 CCSCCCCC=O 62a_100000210202_100000139335 [3,0,0,0,0,0|1,0,0]=4 2795 B8R0.4 CNCCCCCC=O 2230a_106832991635_100000139337 [3,0,0,0,0,0|1,0,0]=4 2796 B8R0.4 CNCCCCCC=O 7a_106832991635_100000139337 [3,0,0,0,0,0|1,0,0]=4 2797 B8R0.4 CSCCCCCC=O 62a_100000139337_200000210301 [3,0,0,0,0,0|1,0,0]=4 2798 B8R0.4 CSCCCCCC=O 62a_200000210301_100000139337 [3,0,0,0,0,0|1,0,0]=4 2799 B8R0.4 [13CH3]SCCCCCC=O 62a_100000139337_200025704644 [3,0,0,0,0,0|1,0,0]=4 2800 B8R0.4 [13CH3]SCCCCCC=O 62a_200025704644_100000139337 [3,0,0,0,0,0|1,0,0]=4 2801 B8R0.7 CC/C=C\CCC(=O)C 1458a_100000070787_100015370543 [3,0,0,0,0,0|1,0,0]=4 2802 B8R0.7 CCC/C=C/CC(=O)C 1458a_200016266809_200000210301 [3,0,0,0,0,0|1,0,0]=4 2803 B8R0.7 CCC/C=C/CC(=O)[13CH3] 1458a_200016266809_200025704644 [3,0,0,0,0,0|1,0,0]=4 2804 B8R0.7 CCCCC=CC(=O)C 1458a_100016266645_200000210301 [3,0,0,0,0,0|1,0,0]=4 2805 B8R0.7 CCCCC=CC(=O)[13CH3] 1458a_100016266645_200025704644 [3,0,0,0,0,0|1,0,0]=4 2806 B8R0.7 CCCCCCC(=O)C 1458a_100000070787_100000210757 [3,0,0,0,0,0|1,0,0]=4 2807 B8R0.7 CCCCCCC(=O)C 1458a_100102632555_200000210301 [3,0,0,0,0,0|1,0,0]=4 2808 B8R0.7 CCCCCCC(=O)[13CH3] 1458a_100102632555_200025704644 [3,0,0,0,0,0|1,0,0]=4 2809 B8R0.7 CCCCNCC(=O)O 269956a_100016091260_100000210211 [3,0,0,0,0,0|1,0,0]=4 2810 B10R0.3 CCCC(C)CNCC(=O)O 269956a_100016091260_100011216630 [2,1,0,0,0,0|1,0,0]=4 2811 B10R0.3 CCCN(C)CCCC(=O)O 269956a_100000719178_100000210207 [2,1,0,0,0,0|1,0,0]=4 2812 B10R0.6 CCCCCC(=O)CC(=O)C 1458a_100000070787_200012276598 [2,1,0,0,0,0|1,0,0]=4 2813 B10R0.6 CCCCCC(=O)CC(=O)N 1458a_100000212188_100000187820 [2,1,0,0,0,0|1,0,0]=4 2814 B10R0.6 CCCCCC(=O)CC(=O)N 1458a_100134613110_100000210326 [2,1,0,0,0,0|1,0,0]=4 2815 B10R0.6 CCCCCC(=O)CC(=O)[O-] 1458a_100000212188_100020667443 [2,1,0,0,0,0|0,0,1]=4 2816 B10R0.6 CCCCCN(C)CC(=O)O 269956a_100000746989_100000210326 [2,1,0,0,0,0|1,0,0]=4 2817 B10R0.6 CCCNCC(O)CC(=O)O 269956a_100011218706_100000210207 [2,1,0,0,0,0|1,0,0]=4 2818 B10R0.74 C#CC(=O)CCCCCCC 1458a_100000211873_100000210614 [2,1,0,0,0,0|1,0,0]=4 2819 B10R0.74 C=CC(=O)CCCCCCC 1458a_100000185746_100000210614 [2,1,0,0,0,0|1,0,0]=4 2820 B10R0.74 CCCC/C=C/CC(=O)CC 1458a_200016282684_100000210202 [2,1,0,0,0,0|1,0,0]=4 2821 B10R0.74 CCCC/C=C/CC(=O)CF 1458a_200016282684_100015361967 [2,1,0,0,0,0|1,0,0]=4 2822 B10R0.74 CCCC/C=C/CC(=O)NC 11a_106832991635_200016282684 [2,1,0,0,0,0|1,0,0]=4 2823 B10R0.74 CCCC/C=C/CC(=O)NC 1626a_100102657272_200016282684 [2,1,0,0,0,0|1,0,0]=4 2824 B10R0.74 CCCC/C=C/CC(=O)NC 240690a_100102657272_200016282684 [2,1,0,0,0,0|1,0,0]=4 2825 B10R0.74 CCCC/C=C/CC(=O)NC 527a_100102657272_200016282684 [2,1,0,0,0,0|1,0,0]=4 2826 B10R0.74 CCCCCC=CC(=O)CC 1458a_100016263427_100000210202 [2,1,0,0,0,0|1,0,0]=4 2827 B10R0.74 CCCCCC=CC(=O)CF 1458a_100016263427_100015361967 [2,1,0,0,0,0|1,0,0]=4 2828 B10R0.74 CCCCCC=CC(=O)NC 11a_106832991635_100016263427 [2,1,0,0,0,0|1,0,0]=4 2829 B10R0.74 CCCCCC=CC(=O)NC 1626a_100102657272_100016263427 [2,1,0,0,0,0|1,0,0]=4 2830 B10R0.74 CCCCCC=CC(=O)NC 240690a_100102657272_100016263427 [2,1,0,0,0,0|1,0,0]=4 2831 B10R0.74 CCCCCCCC(=O)CC 1458a_100000210414_100000210614 [2,1,0,0,0,0|1,0,0]=4 2832 B10R0.74 CCCCCCCC(=O)CC 1458a_100000211969_100000210202 [2,1,0,0,0,0|1,0,0]=4 2833 B10R0.74 CCCCCCCC(=O)CF 1458a_100000211969_100015361967 [2,1,0,0,0,0|1,0,0]=4 2834 B10R0.74 CCCCCCCC(=O)CO 1458a_100000210174_100000210614 [2,1,0,0,0,0|0,0,0]=3 2835 B10R0.74 CCCCCCCC(=O)NC 11a_106832991635_100000211969 [2,1,0,0,0,0|1,0,0]=4 2836 B10R0.74 CCCCCCCC(=O)NC 1626a_100102657272_100000211969 [2,1,0,0,0,0|1,0,0]=4 2837 B10R0.74 CCCCCCCC(=O)NC 240690a_100102657272_100000211969 [2,1,0,0,0,0|1,0,0]=4 2838 B10R0.74 CCCCCCCC(=O)NC 527a_100102657272_100000211969 [2,1,0,0,0,0|1,0,0]=4 2839 B10R0.74 CCCCCCNC(=O)CO 240690a_100000210581_100000210174 [2,1,0,0,0,0|1,0,0]=4 2840 B10R0.74 CCCCCCNC(=O)CO 527a_100000210581_100000210174 [2,1,0,0,0,0|1,0,0]=4 2841 B10R0.74 CCCCCNCC(=O)OC 2230a_100000209983_100000747449 [2,1,0,0,0,0|1,0,0]=4 2842 B10R0.74 CCCCCOCC(=O)OC 34a_100000210253_100000747449 [2,1,0,0,0,0|1,0,0]=4 2843 B10R0.74 CCCCCOCC(=O)OC 7a_100000210253_100000747449 [2,1,0,0,0,0|1,0,0]=4 2844 B10R0.74 CCCCCSCC(=O)OC 62a_100000210326_100000747449 [2,1,0,0,0,0|1,0,0]=4 2845 B10R0.74 CCCCCSCC(=O)OC 62a_100000747449_100000210326 [2,1,0,0,0,0|1,0,0]=4 2846 B10R0.74 CCCCNCCC(=O)OC 2230a_100000102301_100000204255 [2,1,0,0,0,0|1,0,0]=4 2847 B10R0.74 CCCCNCCC(=O)OC 7a_106832991798_100000204255 [2,1,0,0,0,0|1,0,0]=4 2848 B10R0.74 CCCCOCCC(=O)CO 1458a_100000210174_100000743108 [2,1,0,0,0,0|1,0,0]=4 2849 B10R0.74 CCCCOCCC(=O)OC 34a_100000210227_100000742370 [2,1,0,0,0,0|1,0,0]=4 2850 B10R0.74 CCCCOCCC(=O)OC 7a_100000210227_100000204255 [2,1,0,0,0,0|1,0,0]=4 2851 B10R0.74 CCCCSCCC(=O)OC 62a_100000204255_100000210210 [2,1,0,0,0,0|1,0,0]=4 2852 B10R0.74 CCCCSCCC(=O)OC 62a_100000210211_100000204255 [2,1,0,0,0,0|1,0,0]=4 2853 B10R0.74 CCCOC/C=C/C(=O)OC 34a_100000210258_100000742655 [2,1,0,0,0,0|1,0,0]=4 2854 B10R0.74 CCCOCCCC(=O)OC 34a_100000210258_100000742333 [2,1,0,0,0,0|1,0,0]=4 2855 B10R0.74 CCCSC/C=C/C(=O)OC 62a_100000210303_100000742655 [2,1,0,0,0,0|1,0,0]=4 2856 B10R0.74 CCCSC/C=C/C(=O)OC 62a_100000742655_100000210303 [2,1,0,0,0,0|1,0,0]=4 2857 B10R0.74 CCCSCCCC(=O)OC 62a_100000210303_100011218270 [2,1,0,0,0,0|1,0,0]=4 2858 B10R0.74 CCCSCCCC(=O)OC 62a_100011218270_100000210303 [2,1,0,0,0,0|1,0,0]=4 2859 B10R0.74 CCNCCCCC(=O)OC 2230a_100015525214_100000204269 [2,1,0,0,0,0|1,0,0]=4 2860 B10R0.74 CCOCCCCC(=O)OC 34a_100000059025_100000210202 [2,1,0,0,0,0|1,0,0]=4 2861 B10R0.74 CCOCCCCC(=O)OC 34a_100121572206_100000204269 [2,1,0,0,0,0|1,0,0]=4 2862 B10R0.74 CCOCCCCC(=O)OC 7a_100000059025_100000210202 [2,1,0,0,0,0|1,0,0]=4 2863 B10R0.74 CCSCCCCC(=O)OC 62a_100000204269_100000210202 [2,1,0,0,0,0|1,0,0]=4 2864 B10R0.74 CCSCCCCC(=O)OC 62a_100000210202_100000204269 [2,1,0,0,0,0|1,0,0]=4 2865 B10R0.74 CNCCCCCC(=O)OC 2230a_106832991635_100009816466 [2,1,0,0,0,0|1,0,0]=4 2866 B10R0.74 CNCCCCCC(=O)OC 34a_100102657272_100009816466 [2,1,0,0,0,0|1,0,0]=4 2867 B10R0.74 CNCCCCCC(=O)OC 7a_106832991635_100009816466 [2,1,0,0,0,0|1,0,0]=4 2868 B10R0.74 COC(=O)CCCCCO[13CH3] 34a_100000074720_200025704644 [2,1,0,0,0,0|1,0,0]=4 2869 B10R0.74 COC(=O)CCCCCO[13CH3] 7a_100000074720_200025704644 [2,1,0,0,0,0|1,0,0]=4 2870 B10R0.74 COC(=O)CCCCCSC 62a_100009816466_200000210301 [2,1,0,0,0,0|1,0,0]=4 2871 B10R0.74 COC(=O)CCCCCSC 62a_200000210301_100009816466 [2,1,0,0,0,0|1,0,0]=4 2872 B10R0.74 COC(=O)CCCCCS[13CH3] 62a_100009816466_200025704644 [2,1,0,0,0,0|1,0,0]=4 2873 B10R0.74 COC(=O)CCCCCS[13CH3] 62a_200025704644_100009816466 [2,1,0,0,0,0|1,0,0]=4 2874 B10R0.74 COCCCCCC(=O)OC 34a_100000074720_200000210301 [2,1,0,0,0,0|1,0,0]=4 2875 B10R0.74 COCCCCCC(=O)OC 34a_100138415774_100009816466 [2,1,0,0,0,0|1,0,0]=4 2876 B10R0.74 COCCCCCC(=O)OC 7a_100000074720_200000210301 [2,1,0,0,0,0|1,0,0]=4 2877 B10R0.74 O=C(CO)CCCCCCF 1458a_100000210174_100015922095 [2,1,0,0,0,0|1,0,0]=4 2878 B10R0.74 O=C(CO)CCCCCCO 1458a_100000210174_100000766143 [2,1,0,0,0,0|1,0,0]=4 2879 B10R0.75 CCCCCCC(C)C(=O)C 1458a_100000070787_100011215978 [2,1,0,0,0,0|1,0,0]=4 2880 B10R0.75 CCCCCCC(O)C(=O)C 1458a_100011215828_200000210301 [2,1,0,0,0,0|1,0,0]=4 2881 B10R0.75 CCCCCCC(O)C(=O)[13CH3] 1458a_100011215828_200025704644 [2,1,0,0,0,0|1,0,0]=4 2882 B10R0.75 CCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210326 [2,1,0,0,0,0|1,0,0]=4 2883 B10R0.75 CCCCNCC(C)C(=O)O 269956a_100000749485_100000210211 [2,1,0,0,0,0|1,0,0]=4 2884 B10R0.75 CCCCNCC(F)C(=O)O 269956a_100000084737_100000210211 [2,1,0,0,0,0|1,0,0]=4 2885 B10R0.78 CCCCC(=O)CCC(=O)N 1458a_100011215257_100000210211 [2,1,0,0,0,0|1,0,0]=4 2886 B10R0.78 CCCCC(C)CCC(=O)C 1458a_100000033779_200000210301 [2,1,0,0,0,0|1,0,0]=4 2887 B10R0.78 CCCCC(C)CCC(=O)[13CH3] 1458a_100000033779_200025704644 [2,1,0,0,0,0|1,0,0]=4 2888 B10R0.78 CCCCC(C)NCC(=O)O 269956a_100016091260_200011215066 [2,1,0,0,0,0|1,0,0]=4 2889 B10R0.97 CC(=O)CCCCCC(C)C 1458a_100000070787_100000210682 [2,1,0,0,0,0|1,0,0]=4 2890 B10R0.97 CC(=O)CCCCCC(C)C 1458a_100000766313_200000210301 [2,1,0,0,0,0|1,0,0]=4 2891 B10R0.97 CC(C)CCCCCC(=O)[13CH3] 1458a_100000766313_200025704644 [2,1,0,0,0,0|1,0,0]=4 2892 B10R0.97 CC(C)CCCNCC(=O)O 269956a_100016091260_100011214892 [2,1,0,0,0,0|1,0,0]=4 2893 B10R0.97 CC(O)CCCNCC(=O)O 269956a_100016091260_200000718107 [2,1,0,0,0,0|1,0,0]=4 2894 B10R0.1 CCCCC=CC(=O)CCO 1458a_100016266645_100000211926 [2,1,0,0,0,0|0,0,1]=4 2895 B10R0.1 CCCCCCC(=O)CCO 1458a_100011216618_100000210757 [2,1,0,0,0,0|0,0,1]=4 2896 B10R0.1 CCCCCCC(=O)CCO 1458a_100102632555_100000211926 [2,1,0,0,0,0|0,0,1]=4 2897 B10R0.1 CCCCCNC(=O)CCO 240690a_100000209983_100011216618 [2,1,0,0,0,0|1,0,0]=4 2898 B10R0.91 C=CCCC(=O)CCCCC 1458a_100000212188_100000754431 [2,1,0,0,0,0|1,0,0]=4 2899 B10R0.91 C=CCCC(=O)CCCCC 1458a_100000749702_100000210326 [2,1,0,0,0,0|1,0,0]=4 2900 B10R0.91 CCCCCC(=O)CCCO 1458a_100000212188_100011215043 [2,1,0,0,0,0|0,0,1]=4 2901 B10R0.91 CCCCCC(=O)NCCO 240690a_100000210304_100000212188 [2,1,0,0,0,0|1,0,0]=4 2902 B10R0.91 CCCCCC(=O)NCCO 527a_100000210304_100000212188 [2,1,0,0,0,0|1,0,0]=4 2903 B12R0.113 CCCCC=CC(=O)CC(=O)OC 1458a_100016266645_100000747449 [1,2,0,0,0,0|0,0,1]=4 2904 B12R0.113 CCCCCCC(=O)CC(=O)OC 1458a_100000211351_100000210757 [1,2,0,0,0,0|0,0,1]=4 2905 B12R0.113 CCCCCCC(=O)CC(=O)OC 1458a_100102632555_100000747449 [1,2,0,0,0,0|0,0,1]=4 2906 B12R0.113 CCCCCNC(=O)CC(=O)CO 1458a_100000210174_100000230301 [1,2,0,0,0,0|1,0,0]=4 2907 B12R0.113 CCCCCNC(=O)CC(=O)OC 240690a_100000209983_100000211351 [1,2,0,0,0,0|1,0,0]=4 2908 B12R0.113 CCCCCNC(C)CC(=O)OC 2230a_100000209983_100009817358 [1,2,0,0,0,0|1,0,0]=4 2909 B12R0.113 CCCCCOC(C)CC(=O)OC 34a_100000210253_100009817358 [1,2,0,0,0,0|1,0,0]=4 2910 B12R0.113 CCCCCOC(C)CC(=O)OC 7a_100000210253_100009817358 [1,2,0,0,0,0|1,0,0]=4 2911 B12R0.113 CCCCCSC(C)CC(=O)OC 62a_100000210326_100009817358 [1,2,0,0,0,0|1,0,0]=4 2912 B12R0.113 CCCCCSC(C)CC(=O)OC 62a_100009817358_100000210326 [1,2,0,0,0,0|1,0,0]=4 2913 B12R0.202 CCCCCN[C@H](CC)CC(=O)O 269956a_100016995926_100000210326 [1,2,0,0,0,0|1,0,0]=4 2914 B12R0.202 CCCCCN[C@H](CO)CC(=O)O 269956a_100009816507_100000210326 [1,2,0,0,0,0|1,0,0]=4 2915 B12R0.598 CCCCCNC(C)(C)CC(=O)O 269956a_100000755897_100000210326 [1,2,0,0,0,0|1,0,0]=4 2916 B12R0.42 CC(C)CCCNCC(C)C(=O)O 269956a_100000749485_100011214892 [1,2,0,0,0,0|1,0,0]=4 2917 B12R0.42 CC(C)CCCNCC(F)C(=O)O 269956a_100000084737_100011214892 [1,2,0,0,0,0|1,0,0]=4 2918 B12R0.42 CC(O)CCCNCC(C)C(=O)O 269956a_100000749485_200000718107 [1,2,0,0,0,0|1,0,0]=4 2919 B12R0.42 CC(O)CCCNCC(F)C(=O)O 269956a_100000084737_200000718107 [1,2,0,0,0,0|1,0,0]=4 2920 B12R0.44 CC(C)CCCC(=O)CCC(=O)N 1458a_100011215257_100011214892 [1,2,0,0,0,0|1,0,0]=4 2921 B12R0.44 CC(O)CCCC(=O)CCC(=O)N 1458a_100011215257_200000718107 [1,2,0,0,0,0|1,0,0]=4 2922 B12R0.1 C#CCC(=O)C/C=C/CCCCC 1458a_100020675968_100000184674 [1,2,0,0,0,0|1,0,0]=4 2923 B12R0.1 C=CCC(=O)C/C=C/CCCCC 1458a_100020675968_100000210623 [1,2,0,0,0,0|1,0,0]=4 2924 B12R0.1 CCCCC/C=C/CC(=O)CC#N 1458a_100020675968_100011214920 [1,2,0,0,0,0|1,0,0]=4 2925 B12R0.1 CCCCC/C=C/CC(=O)CCC 1458a_100020675968_100000210303 [1,2,0,0,0,0|1,0,0]=4 2926 B12R0.1 CCCCC/C=C/CC(=O)CCF 1458a_100020675968_100011217306 [1,2,0,0,0,0|1,0,0]=4 2927 B12R0.1 CCCCC/C=C/CC(=O)CCO 1458a_100020675968_100000211926 [1,2,0,0,0,0|0,0,0]=3 2928 B12R0.1 CCCCC/C=C/CC(=O)NCC 11a_100015525214_100020675968 [1,2,0,0,0,0|1,0,0]=4 2929 B12R0.1 CCCCC/C=C/CC(=O)NCC 240690a_100015525214_100020675968 [1,2,0,0,0,0|1,0,0]=4 2930 B12R0.1 CCCCC/C=C/CC(=O)NNC 22a_100016993582_100020675968 [1,2,0,0,0,0|1,0,0]=4 2931 B12R0.1 CCCCCCCCC(=O)CCO 1458a_100000210188_100000211926 [1,2,0,0,0,0|0,0,1]=4 2932 B12R0.1 CCCCCCCCC(=O)CCO 1458a_100011216618_100000210759 [1,2,0,0,0,0|0,0,1]=4 2933 B12R0.1 CCCCCCCCC(=O)COC 1458a_100000210968_100000210759 [1,2,0,0,0,0|0,0,1]=4 2934 B12R0.1 CCCCCNCCC(=O)OCC 2230a_100000209983_100011206558 [1,2,0,0,0,0|1,0,0]=4 2935 B12R0.1 CCCCCOCCC(=O)OCC 34a_100000210253_100000765890 [1,2,0,0,0,0|1,0,0]=4 2936 B12R0.1 CCCCCOCCC(=O)OCC 7a_100000210253_100011206558 [1,2,0,0,0,0|1,0,0]=4 2937 B12R0.1 CCCCCSCCC(=O)OCC 62a_100000210326_100000765890 [1,2,0,0,0,0|1,0,0]=4 2938 B12R0.1 CCCCCSCCC(=O)OCC 62a_100000765890_100000210326 [1,2,0,0,0,0|1,0,0]=4 2939 B12R0.49 CCCCCCCC(C)C(=O)CO 1458a_100000210174_200011218727 [1,2,0,0,0,0|0,0,1]=4 2940 B12R0.49 CCCCCOCC(C)C(=O)OC 34a_100000210253_100000698445 [1,2,0,0,0,0|1,0,0]=4 2941 B12R0.49 CCCCCOCC(C)C(=O)OC 34a_100000749362_100000718602 [1,2,0,0,0,0|1,0,0]=4 2942 B12R0.49 CCCCCOCC(C)C(=O)OC 7a_100000749362_100000210326 [1,2,0,0,0,0|1,0,0]=4 2943 B12R0.49 CCCCCOCC(F)C(=O)OC 34a_200009849844_100000718602 [1,2,0,0,0,0|1,0,0]=4 2944 B12R0.49 CCCCCOC[C@@H](N)C(=O)OC 34a_100000003586_100000718602 [1,2,0,0,0,0|1,0,0]=4 2945 B12R0.49 CCCCCSCC(C)C(=O)OC 62a_100000210326_100000698445 [1,2,0,0,0,0|1,0,0]=4 2946 B12R0.49 CCCCCSCC(C)C(=O)OC 62a_100000698445_100000210326 [1,2,0,0,0,0|1,0,0]=4 2947 B12R0.102 CCCCC(=O)CCCC(=O)OC 1458a_100000210183_100011218270 [1,2,0,0,0,0|0,0,1]=4 2948 B12R0.102 CCCCC(=O)CCCC(=O)OC 1458a_100000239890_100000210211 [1,2,0,0,0,0|0,0,1]=4 2949 B12R0.102 CCCCC(=O)NCCC(=O)OC 188690a_100000683876_100000210183 [1,2,0,0,0,0|1,0,0]=4 2950 B12R0.102 CCCCC(C)NCCC(=O)OC 2230a_100000126638_100000204255 [1,2,0,0,0,0|1,0,0]=4 2951 B12R0.102 CCCCC(C)OCCC(=O)OC 34a_100000687866_100000742370 [1,2,0,0,0,0|1,0,0]=4 2952 B12R0.102 CCCCC(C)OCCC(=O)OC 7a_100000687866_100000204255 [1,2,0,0,0,0|1,0,0]=4 2953 B12R0.102 CCCCC(C)SCCC(=O)OC 62a_100000204255_200011215066 [1,2,0,0,0,0|1,0,0]=4 2954 B12R0.102 CCCCC(C)SCCC(=O)OC 62a_200011215066_100000204255 [1,2,0,0,0,0|1,0,0]=4 2955 B12R0.142 CCCCCC(=O)CCC(=O)NC 1458a_100011309844_100000210326 [1,2,0,0,0,0|1,0,0]=4 2956 B12R0.142 CCCCCC(=O)CCC(=O)OC 1458a_100000187943_100000210326 [1,2,0,0,0,0|0,0,0]=3 2957 B12R0.142 CCCCCC(=O)CNC(=O)OC 1458a_100000215747_100000210326 [1,2,0,0,0,0|1,0,0]=4 2958 B12R0.142 CCCCCC(=O)NCC(=O)OC 188690a_100000185156_100000212188 [1,2,0,0,0,0|1,0,0]=4 2959 B12R0.142 CCCCCN(C)CCC(=O)OC 2230a_100000223495_100000204255 [1,2,0,0,0,0|1,0,0]=4 2960 B12R0.142 CCCCCN(C)CCC(=O)OC 269982a_100000223495_100000204255 [1,2,0,0,0,0|1,0,0]=4 2961 B12R0.142 CCCCCN(C)CCC(=O)OC 269982a_100025711912_100000210215 [1,2,0,0,0,0|1,0,0]=4 2962 B12R0.142 CCCCNC(=O)CCC(=O)OC 11a_100000102301_100000187943 [1,2,0,0,0,0|1,0,0]=4 2963 B12R0.142 CCCCNC(=O)CCC(=O)OC 1626a_100000102301_100000187943 [1,2,0,0,0,0|1,0,0]=4 2964 B12R0.142 CCCCNC(=O)CCC(=O)OC 240690a_100000102301_100000187943 [1,2,0,0,0,0|1,0,0]=4 2965 B12R0.142 CCCCNC(=O)CCC(=O)OC 527a_100000102301_100000187943 [1,2,0,0,0,0|1,0,0]=4 2966 B12R0.142 CCCOCC(=O)CCC(=O)OC 34a_100000210258_100000691467 [1,2,0,0,0,0|1,0,0]=4 2967 B12R0.142 CCCSCC(=O)CCC(=O)OC 62a_100000210303_100000691467 [1,2,0,0,0,0|1,0,0]=4 2968 B12R0.142 CCCSCC(=O)CCC(=O)OC 62a_100000691467_100000210303 [1,2,0,0,0,0|1,0,0]=4 2969 B12R0.142 CCOCCC(=O)CCC(=O)OC 1458a_100000187943_100011215890 [1,2,0,0,0,0|1,0,0]=4 2970 B12R0.142 CCSCCC(=O)CCC(=O)OC 1458a_100000187943_100000757381 [1,2,0,0,0,0|1,0,0]=4 2971 B12R0.142 COC(=O)CCC(=O)CCCCF 1458a_100000187943_100000729493 [1,2,0,0,0,0|1,0,0]=4 2972 B12R0.142 COC(=O)CCC(=O)CCCCO 1458a_100000187943_100000210776 [1,2,0,0,0,0|1,0,0]=4 2973 B12R0.142 COCCCC(=O)CCC(=O)OC 1458a_100000187943_100000740836 [1,2,0,0,0,0|1,0,0]=4 2974 B12R0.183 CCC(C)CCNCCC(=O)OC 2230a_100020591266_100000204255 [1,2,0,0,0,0|1,0,0]=4 2975 B12R0.183 CCC(C)CCOCCC(=O)OC 7a_100011215188_100000204255 [1,2,0,0,0,0|1,0,0]=4 2976 B12R0.276 CCCC(C)COCCC(=O)OC 34a_100000688023_100000742370 [1,2,0,0,0,0|1,0,0]=4 2977 B12R0.276 CCCC(C)COCCC(=O)OC 7a_100000688023_100000204255 [1,2,0,0,0,0|1,0,0]=4 2978 B12R0.276 CCCC(C)CSCCC(=O)OC 62a_100000204255_100011216630 [1,2,0,0,0,0|1,0,0]=4 2979 B12R0.276 CCCC(C)CSCCC(=O)OC 62a_100011216630_100000204255 [1,2,0,0,0,0|1,0,0]=4 2980 B12R0.276 CCC[C@H](N)COCCC(=O)OC 34a_100000732646_100000742370 [1,2,0,0,0,0|1,0,0]=4 2981 B12R0.48 CCCCC(C)NCC(C)C(=O)O 269956a_100000749485_200011215066 [1,2,0,0,0,0|1,0,0]=4 2982 B12R0.48 CCCCC(C)NCC(F)C(=O)O 269956a_100000084737_200011215066 [1,2,0,0,0,0|1,0,0]=4 2983 B12R0.58 CCCCCNCC(C)(C)C(=O)O 269956a_100000693527_100000210326 [1,2,0,0,0,0|1,0,0]=4 2984 B12R0.58 CCCCCNCC(F)(F)C(=O)O 269956a_100000734215_100000210326 [1,2,0,0,0,0|1,0,0]=4 2985 B12R0.279 CCCC(C)CNCC(C)C(=O)O 269956a_100000749485_100011216630 [1,2,0,0,0,0|1,0,0]=4 2986 B12R0.279 CCCC(C)CNCC(F)C(=O)O 269956a_100000084737_100011216630 [1,2,0,0,0,0|1,0,0]=4 2987 B12R0.98 CCCCC(C)C(=O)CCC(=O)N 1458a_100011215257_200011215066 [1,2,0,0,0,0|1,0,0]=4 2988 B12R0.283 CCCC(C)CC(=O)CCC(=O)N 1458a_100011215257_100011216630 [1,2,0,0,0,0|1,0,0]=4 2989 B12R0.5 C/C=C/COC/C=C/CCCCC 34a_100016258190_100102629194 [1,2,0,0,0,0|1,0,0]=4 2990 B12R0.5 C/C=C/COC/C=C/CCCCC 7a_100016258190_100102629194 [1,2,0,0,0,0|1,0,0]=4 2991 B12R0.5 C=CCCC/C=C/COCCCC 34a_200016268473_100000210210 [1,2,0,0,0,0|1,0,0]=4 2992 B12R0.5 C=CCCC/C=C/COCCCC 7a_200016268473_100000210211 [1,2,0,0,0,0|1,0,0]=4 2993 B12R0.5 C=CCCOC/C=C/CCCCC 34a_100016258190_100000754431 [1,2,0,0,0,0|1,0,0]=4 2994 B12R0.5 C=CCCOC/C=C/CCCCC 7a_100016258190_100000754431 [1,2,0,0,0,0|1,0,0]=4 2995 B12R0.5 C=CCOC/C=C/CCCCCC 34a_200016276170_100015514636 [1,2,0,0,0,0|1,0,0]=4 2996 B12R0.5 C=CCOC/C=C/CCCCCC 7a_200016276170_100015514636 [1,2,0,0,0,0|1,0,0]=4 2997 B12R0.5 C=CCOCC/C=C\CCCCC 34a_100016277358_100015514636 [1,2,0,0,0,0|1,0,0]=4 2998 B12R0.5 C=CCOCC/C=C\CCCCC 7a_100016277358_100015514636 [1,2,0,0,0,0|1,0,0]=4 2999 B12R0.5 CC/C=C/CC/C=C/COCC=O 34a_100016264143_200009817547 [1,2,0,0,0,0|0,0,1]=4 3000 B12R0.5 CC/C=C/CC/C=C/COCC=O 7a_100016264143_200015260668 [1,2,0,0,0,0|0,0,1]=4 3001 B12R0.5 CC=CCOC/C=C/CCCCC 34a_100016258190_100000070051 [1,2,0,0,0,0|1,0,0]=4 3002 B12R0.5 CC=CCOC/C=C/CCCCC 7a_100016258190_100000070051 [1,2,0,0,0,0|1,0,0]=4 3003 B12R0.5 CCCCC/C=C/COCCCO 34a_100016258190_100000230001 [1,2,0,0,0,0|0,0,1]=4 3004 B12R0.5 CCCCC/C=C/COCCCO 7a_100016258190_100011215043 [1,2,0,0,0,0|0,0,1]=4 3005 B12R0.5 CCCCC/C=C/COCCOC 34a_100016258190_100011201679 [1,2,0,0,0,0|0,0,1]=4 3006 B12R0.5 CCCCC/C=C/COCCOC 7a_100016258190_100000233755 [1,2,0,0,0,0|0,0,1]=4 3007 B12R0.5 CCCCC/C=C\CCCOCC 34a_100020655193_100000210202 [1,2,0,0,0,0|0,0,1]=4 3008 B12R0.5 CCCCC/C=C\CCCOCC 7a_100020655193_100000210202 [1,2,0,0,0,0|0,0,1]=4 3009 B12R0.5 CCCCC/C=C\CCCOCF 34a_100020655193_100015361967 [1,2,0,0,0,0|0,0,1]=4 3010 B12R0.5 CCCCC/C=C\CCCOCF 7a_100020655193_100015361967 [1,2,0,0,0,0|0,0,1]=4 3011 B12R0.5 CCCCC/C=C\CCOCC=O 34a_100016277358_200009817547 [1,2,0,0,0,0|0,0,0]=3 3012 B12R0.5 CCCCC/C=C\CCOCC=O 7a_100016277358_200015260668 [1,2,0,0,0,0|0,0,0]=3 3013 B12R0.5 CCCCC/C=C\CCOCCO 34a_100016277358_100000211926 [1,2,0,0,0,0|0,0,1]=4 3014 B12R0.5 CCCCC/C=C\CCOCCO 7a_100016277358_100000211926 [1,2,0,0,0,0|0,0,1]=4 3015 B12R0.5 CCCCCC/C=C/COCC=O 34a_200016276170_200009817547 [1,2,0,0,0,0|0,0,0]=3 3016 B12R0.5 CCCCCC/C=C/COCC=O 7a_200016276170_200015260668 [1,2,0,0,0,0|0,0,0]=3 3017 B12R0.5 CCCCCC/C=C/COCCO 34a_200016276170_100000211926 [1,2,0,0,0,0|0,0,1]=4 3018 B12R0.5 CCCCCC/C=C/COCCO 7a_200016276170_100000211926 [1,2,0,0,0,0|0,0,1]=4 3019 B12R0.47 CCCCCNC(=O)CSCC=O 62a_100000230301_200015260668 [1,2,0,0,0,0|1,0,0]=4 3020 B12R0.47 CCCCCNC(=O)CSCC=O 62a_200015260668_100000230301 [1,2,0,0,0,0|1,0,0]=4 3021 B12R0.206 C=CCCC(=O)C=CCCCCC 1458a_100016263427_100000754431 [1,2,0,0,0,0|1,0,0]=4 3022 B12R0.206 CCCCCC=CC(=O)CCCO 1458a_100016263427_100011215043 [1,2,0,0,0,0|0,0,1]=4 3023 B14R0.73 C=COC(=O)CC(=O)C=CCCCCC 1458a_100016263427_100000036128 [0,3,0,0,0,0|0,0,1]=4 3024 B14R0.73 CCCCCC=CC(=O)CC(=O)NCO 1458a_100016263427_100000185155 [0,3,0,0,0,0|0,0,1]=4 3025 B14R0.73 CCCCCC=CC(=O)CC(=O)OCC 1458a_100016263427_100000188475 [0,3,0,0,0,0|0,0,1]=4 3026 B14R0.82 CCCCC/C=C/CC(=O)CC(=O)CC 1458a_100020675968_100000747405 [0,3,0,0,0,0|1,0,0]=4 3027 B14R0.82 CCCCC/C=C/CC(=O)CC(=O)NC 1458a_100020675968_100000183359 [0,3,0,0,0,0|1,0,0]=4 3028 B14R0.82 CCCCC/C=C/CC(=O)CC(=O)OC 1458a_100020675968_100000747449 [0,3,0,0,0,0|0,0,0]=3 3029 B14R0.82 CCCCCCC=CC(=O)CC(=O)OC 1458a_200015324643_100000747449 [0,3,0,0,0,0|0,0,1]=4 3030 B14R0.143 CCCCCC=CC(=O)C(C)C(=O)OC 1458a_100016263427_100000211248 [0,3,0,0,0,0|0,0,1]=4 3031 B14R0.230 CCCCCC(=O)CC(C)CC(=O)OC 1458a_100000732146_100000210326 [0,3,0,0,0,0|0,0,1]=4 3032 B14R0.230 CCCCCC(=O)N[C@H](C)CC(=O)OC 188690a_100016994721_100000212188 [0,3,0,0,0,0|1,0,0]=4 3033 B14R0.341 CCCCCCC(=O)C(C)CC(=O)OC 1458a_100000037256_100000210757 [0,3,0,0,0,0|0,0,1]=4 3034 B14R0.341 CCCCCNC(=O)C(C)CC(=O)OC 1626a_100000209983_100000037256 [0,3,0,0,0,0|1,0,0]=4 3035 B14R0.341 CCCCCNC(=O)C(C)CC(=O)OC 240690a_100000209983_100000037256 [0,3,0,0,0,0|1,0,0]=4 3036 B14R0.341 CCCCCNC(=O)C(C)CC(=O)OC 527a_100000209983_100000037256 [0,3,0,0,0,0|1,0,0]=4 3037 B14R0.389 CCCCCNC(=O)CN(C)CC(=O)O 269956a_100000746989_100000230301 [0,3,0,0,0,0|1,0,0]=4 3038 B14R0.178 CCCCC/C=C/CC(=O)C(C)C(=O)C 1458a_100020675968_100000179758 [0,3,0,0,0,0|1,0,0]=4 3039 B14R0.178 CCCCC/C=C/CC(=O)C(C)C(=O)N 1458a_100020675968_100000702099 [0,3,0,0,0,0|1,0,0]=4 3040 B14R0.178 CCCCC/C=C/CC(=O)C(F)C(=O)N 1458a_100020675968_100009813875 [0,3,0,0,0,0|1,0,0]=4 3041 B14R0.178 CCCCC/C=C/CC(=O)C(F)C(=O)[O-] 1458a_100020675968_100020610796 [0,3,0,0,0,0|0,0,1]=4 3042 B14R0.391 C=C(C)CC(=O)CC/C=C/CCCCC 1458a_200015255902_100000748629 [0,3,0,0,0,0|1,0,0]=4 3043 B14R0.391 C=C(F)CC(=O)CC/C=C/CCCCC 1458a_200015255902_100009893438 [0,3,0,0,0,0|1,0,0]=4 3044 B14R0.391 CCCCC/C=C/CCC(=O)CC(=O)N 1458a_200015255902_100000187820 [0,3,0,0,0,0|0,0,1]=4 3045 B14R0.391 CCCCC/C=C/CCC(=O)CC(=O)[O-] 1458a_200015255902_100020667443 [0,3,0,0,0,0|0,0,1]=4 3046 B14R0.391 CCCCC/C=C/CCC(=O)CC(C)C 1458a_200015255902_100000210624 [0,3,0,0,0,0|1,0,0]=4 3047 B14R0.391 CCCCC/C=C/CCC(=O)CC(C)O 1458a_200015255902_100011218427 [0,3,0,0,0,0|0,0,0]=3 3048 B14R0.391 CCCCC/C=C/CCC(=O)CC(F)F 1458a_200015255902_100011934356 [0,3,0,0,0,0|1,0,0]=4 3049 B14R0.391 CCCCC/C=C/CCC(=O)C[N+](=O)[O-] 1458a_200015255902_100000761209 [0,3,0,0,0,0|0,0,1]=4 3050 B14R0.391 CCCCC/C=C/CCC(=O)NC(C)C 11a_100138425928_200015255902 [0,3,0,0,0,0|1,0,0]=4 3051 B14R0.391 CCCCC/C=C/CCC(=O)NC(C)C 1626a_100138425928_200015255902 [0,3,0,0,0,0|1,0,0]=4 3052 B14R0.391 CCCCC/C=C/CCC(=O)NC(C)C 240690a_100138425928_200015255902 [0,3,0,0,0,0|1,0,0]=4 3053 B14R0.391 CCCCC/C=C/CCC(=O)NC(C)C 527a_100138425928_200015255902 [0,3,0,0,0,0|1,0,0]=4 3054 B14R0.391 CCCCCC/C=C/CC(=O)CC(=O)N 1458a_100020681715_100000187820 [0,3,0,0,0,0|1,0,0]=4 3055 B14R0.391 CCCCCC/C=C/CC(=O)CC(=O)[O-] 1458a_100020681715_100020667443 [0,3,0,0,0,0|0,0,1]=4 3056 B14R0.42 CCCCC(C)C(=O)CCCC(=O)OC 1458a_100000239890_200011215066 [0,3,0,0,0,0|0,0,1]=4 3057 B14R0.42 CCCCC(C)C(=O)CCCC(=O)OC 1458a_100000725509_100011218270 [0,3,0,0,0,0|0,0,1]=4 3058 B14R0.42 CCCCC(C)C(=O)NCCC(=O)OC 188690a_100000683876_100000725509 [0,3,0,0,0,0|1,0,0]=4 3059 B14R0.42 CCCCC(O)C(=O)CCCC(=O)OC 1458a_100000720857_100011218270 [0,3,0,0,0,0|0,0,1]=4 3060 B14R0.42 CCCCC(O)C(=O)NCCC(=O)OC 188690a_100000683876_100000720857 [0,3,0,0,0,0|1,0,0]=4 3061 B14R0.226 CCCCCC(=O)CCCCC(=O)OC 1458a_100000212188_100000204269 [0,3,0,0,0,0|0,0,1]=4 3062 B14R0.226 CCCCCC(=O)CCCCC(=O)OC 1458a_100000695723_100000210326 [0,3,0,0,0,0|0,0,1]=4 3063 B14R0.226 CCCCCC(=O)CCCNC(=O)OC 1458a_100000753017_100000210326 [0,3,0,0,0,0|0,0,1]=4 3064 B14R0.226 CCCCCC(=O)CCOCC(=O)OC 1458a_100000212188_100000090808 [0,3,0,0,0,0|0,0,1]=4 3065 B14R0.226 CCCCCC(=O)CSCCC(=O)OC 62a_100000204255_200012276598 [0,3,0,0,0,0|0,0,1]=4 3066 B14R0.226 CCCCCC(=O)CSCCC(=O)OC 62a_200012276598_100000204255 [0,3,0,0,0,0|0,0,1]=4 3067 B14R0.226 CCCCCC(=O)NCCCC(=O)OC 188690a_100000184769_100000212188 [0,3,0,0,0,0|0,0,1]=4 3068 B14R0.449 CCCCC(C)NC(=O)CCC(=O)OC 11a_100000126638_100000187943 [0,3,0,0,0,0|1,0,0]=4 3069 B14R0.449 CCCCC(C)NC(=O)CCC(=O)OC 1626a_100000126638_100000187943 [0,3,0,0,0,0|1,0,0]=4 3070 B14R0.449 CCCCC(C)NC(=O)CCC(=O)OC 240690a_100000126638_100000187943 [0,3,0,0,0,0|1,0,0]=4 3071 B14R0.449 CCCCC(C)NC(=O)CCC(=O)OC 527a_100000126638_100000187943 [0,3,0,0,0,0|1,0,0]=4 3072 B14R0.229 CCCCCC(=O)CNCC(C)C(=O)O 269956a_100000749485_200012276598 [0,3,0,0,0,0|0,0,1]=4 3073 B14R0.229 CCCCCC(=O)CNCC(F)C(=O)O 269956a_100000084737_200012276598 [0,3,0,0,0,0|0,0,1]=4 3074 B14R0.2430 CCCCCC(=O)CC(=O)CCC(=O)N 1458a_100011215257_200012276598 [0,3,0,0,0,0|1,0,0]=4 3075 B14R0.1749 COC(=O)CCC(=O)CCCCC(C)C 1458a_100000187943_100011216152 [0,3,0,0,0,0|0,0,1]=4 3076 B14R0.1749 COC(=O)CCC(=O)NCCCC(C)C 11a_200000737386_100000187943 [0,3,0,0,0,0|1,0,0]=4 3077 B14R0.1749 COC(=O)CCC(=O)NCCCC(C)C 1626a_200000737386_100000187943 [0,3,0,0,0,0|1,0,0]=4 3078 B14R0.1749 COC(=O)CCC(=O)NCCCC(C)C 240690a_200000737386_100000187943 [0,3,0,0,0,0|1,0,0]=4 3079 B14R0.1749 COC(=O)CCC(=O)NCCCC(C)C 527a_200000737386_100000187943 [0,3,0,0,0,0|1,0,0]=4 3080 B14R0.2224 CCCCCNC(=O)CNOCC(=O)O 269956a_100000106656_100000230301 [0,3,0,0,0,0|1,0,0]=4 3081 B14R0.397 CCCCC/C=C/CCC(=O)C(F)(F)F 1458a_200015255902_200000243211 [0,3,0,0,0,0|1,0,0]=4 3082 B14R0.2298 CCCCC/C=C/COC(C)(C)C(=O)C 7a_100016258190_100000075568 [0,3,0,0,0,0|1,0,0]=4 3083 B14R0.2298 CCCCC/C=C/COC(C)(C)C(=O)N 34a_100016258190_100000702505 [0,3,0,0,0,0|1,0,0]=4 3084 B14R0.2298 CCCCC/C=C/COC(C)(C)C(=O)N 7a_100016258190_100000702505 [0,3,0,0,0,0|1,0,0]=4 3085 B14R0.2298 CCCCC/C=C/COC(F)(F)C(=O)N 7a_100016258190_100009811971 [0,3,0,0,0,0|1,0,0]=4 3086 B14R0.2298 CCCCC/C=C/COC(F)(F)C(=O)[O-] 34a_100016258190_100020612412 [0,3,0,0,0,0|0,0,1]=4 3087 B14R0.18 CCC(C)CCC(=O)CCCC(=O)OC 1458a_100000701222_100011218270 [0,3,0,0,0,0|0,0,1]=4 3088 B14R0.18 CCC(C)CCC(=O)NCCC(=O)OC 188690a_100000683876_100000701222 [0,3,0,0,0,0|1,0,0]=4 3089 B14R0.18 CCC(C)CCNC(=O)CCC(=O)OC 11a_100020591266_100000187943 [0,3,0,0,0,0|1,0,0]=4 3090 B14R0.18 CCC(C)CCNC(=O)CCC(=O)OC 1626a_100020591266_100000187943 [0,3,0,0,0,0|1,0,0]=4 3091 B14R0.18 CCC(C)CCNC(=O)CCC(=O)OC 240690a_100020591266_100000187943 [0,3,0,0,0,0|1,0,0]=4 3092 B14R0.18 CCC(C)CCNC(=O)CCC(=O)OC 527a_100020591266_100000187943 [0,3,0,0,0,0|1,0,0]=4 3093 B14R0.18 CCC(O)CCC(=O)NCCC(=O)OC 188690a_100000683876_203496584001 [0,3,0,0,0,0|1,0,0]=4 3094 B14R0.2 CCCCCC=CC(=O)CCCC(=O)C 1458a_100016263427_100011215641 [0,3,0,0,0,0|1,0,0]=4 3095 B14R0.2 CCCCCC=CC(=O)CCCC(=O)N 1458a_100016263427_100102525003 [0,3,0,0,0,0|1,0,0]=4 3096 B14R0.2 CCCCCC=CC(=O)CCNC(=O)C 1458a_100016263427_100000189650 [0,3,0,0,0,0|1,0,0]=4 3097 B14R0.2 CCCCCC=CC(=O)CCNC(=O)N 1458a_100016263427_200000034859 [0,3,0,0,0,0|1,0,0]=4 3098 B14R0.2 CCCCCC=CC(=O)CCOC(=O)C 1458a_100016263427_100009814007 [0,3,0,0,0,0|1,0,0]=4 3099 B14R0.2 CCCCCC=CC(=O)CCOC(=O)N 1458a_100016263427_200011214921 [0,3,0,0,0,0|1,0,0]=4 3100 B14R0.2 CCCCCC=CC(=O)NCCC(=O)N 11a_100000740010_100016263427 [0,3,0,0,0,0|1,0,0]=4 3101 B14R0.2 CCCCCC=CC(=O)NCCC(=O)N 240690a_100000740010_100016263427 [0,3,0,0,0,0|1,0,0]=4 3102 B14R0.2 CCCCCCNC(=O)CNCC(=O)O 269956a_100016091260_100000230325 [0,3,0,0,0,0|0,0,1]=4 3103 B14R0.12 CCCCC=CC(=O)CCCC(=O)OC 1458a_100016266645_100011218270 [0,3,0,0,0,0|0,0,1]=4 3104 B14R0.12 CCCCC=CC(=O)NCCC(=O)OC 188690a_100000683876_100016266645 [0,3,0,0,0,0|0,0,1]=4 3105 B14R0.12 CCCCCCC(=O)CCCC(=O)OC 1458a_100000239890_100000210757 [0,3,0,0,0,0|0,0,1]=4 3106 B14R0.12 CCCCCCC(=O)CCCC(=O)OC 1458a_100102632555_100011218270 [0,3,0,0,0,0|0,0,1]=4 3107 B14R0.12 CCCCCCC(=O)CSCC(=O)OC 1458a_100000191316_100000210757 [0,3,0,0,0,0|0,0,1]=4 3108 B14R0.12 CCCCCCC(=O)NCCC(=O)OC 188690a_100000683876_100102632555 [0,3,0,0,0,0|0,0,1]=4 3109 B14R0.12 CCCCCNC(=O)CCCC(=O)OC 11a_100000209983_100000239890 [0,3,0,0,0,0|0,0,1]=4 3110 B14R0.12 CCCCCNC(=O)CCCC(=O)OC 1626a_100000209983_100000239890 [0,3,0,0,0,0|0,0,1]=4 3111 B14R0.12 CCCCCNC(=O)CCCC(=O)OC 240690a_100000209983_100000239890 [0,3,0,0,0,0|0,0,1]=4 3112 B14R0.12 CCCCCNC(=O)CCCC(=O)OC 527a_100000209983_100000239890 [0,3,0,0,0,0|0,0,1]=4 3113 B14R0.12 CCCCCNC(=O)CSCC(=O)OC 11a_100000209983_100000191316 [0,3,0,0,0,0|1,0,0]=4 3114 B14R0.12 CCCCCNC(=O)CSCC(=O)OC 1626a_100000209983_100000191316 [0,3,0,0,0,0|1,0,0]=4 3115 B14R0.12 CCCCCNC(=O)CSCC(=O)OC 240690a_100000209983_100000191316 [0,3,0,0,0,0|1,0,0]=4 3116 B14R0.12 CCCCCNC(=O)CSCC(=O)OC 62a_100000230301_100000747449 [0,3,0,0,0,0|1,0,0]=4 3117 B14R0.12 CCCCCNC(=O)CSCC(=O)OC 62a_100000747449_100000230301 [0,3,0,0,0,0|1,0,0]=4 3118 B14R0.12 CCCCNCC(=O)NCCC(=O)OC 2230a_100000102301_100000230212 [0,3,0,0,0,0|1,0,0]=4 3119 B14R0.12 CCCCNCC(=O)NCCC(=O)OC 7a_106832991798_100000230212 [0,3,0,0,0,0|1,0,0]=4 3120 B14R0.12 CCCCOCC(=O)CCCC(=O)OC 1458a_100000239890_100011995733 [0,3,0,0,0,0|0,0,1]=4 3121 B14R0.12 CCCCOCC(=O)CCCC(=O)OC 1458a_100000757543_100011218270 [0,3,0,0,0,0|0,0,1]=4 3122 B14R0.12 CCCCOCC(=O)NCCC(=O)OC 188690a_100000683876_100000757543 [0,3,0,0,0,0|1,0,0]=4 3123 B14R0.12 CCCCOCC(=O)NCCC(=O)OC 34a_100000210227_100000230212 [0,3,0,0,0,0|1,0,0]=4 3124 B14R0.12 CCCCOCC(=O)NCCC(=O)OC 7a_100000210227_100000230212 [0,3,0,0,0,0|1,0,0]=4 3125 B14R0.12 CCCCSCC(=O)CCCC(=O)OC 1458a_100000191162_100011218270 [0,3,0,0,0,0|0,0,1]=4 3126 B14R0.12 CCCCSCC(=O)NCCC(=O)OC 188690a_100000683876_100000191162 [0,3,0,0,0,0|1,0,0]=4 3127 B14R0.12 CCCCSCC(=O)NCCC(=O)OC 62a_100000210211_100000230212 [0,3,0,0,0,0|1,0,0]=4 3128 B14R0.12 CCCCSCC(=O)NCCC(=O)OC 62a_100000230212_100000210210 [0,3,0,0,0,0|1,0,0]=4 3129 B14R0.12 CCCOCCC(=O)CCCC(=O)OC 1458a_100000239890_100011215938 [0,3,0,0,0,0|0,0,1]=4 3130 B14R0.12 CCOCCCC(=O)CCCC(=O)OC 1458a_100000239890_100012232248 [0,3,0,0,0,0|0,0,1]=4 3131 B14R0.12 COC(=O)CCCC(=O)CCCCCF 1458a_100000239890_100000729378 [0,3,0,0,0,0|0,0,1]=4 3132 B14R0.12 COC(=O)CCCC(=O)CCCCCO 1458a_100000239890_100000746330 [0,3,0,0,0,0|0,0,1]=4 3133 B14R0.12 COC(=O)CCCC(=O)CCCCCO 1458a_100102619762_100011218270 [0,3,0,0,0,0|0,0,1]=4 3134 B14R0.12 COC(=O)CCNC(=O)CCCCCO 188690a_100000683876_100102619762 [0,3,0,0,0,0|1,0,0]=4 3135 B14R0.12 COCCCCC(=O)CCCC(=O)OC 1458a_100000239890_100000755781 [0,3,0,0,0,0|0,0,1]=4 3136 B14R0.180 CCCCCNC(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_100000230301 [0,3,0,0,0,0|1,0,0]=4 3137 B14R0.304 COC(=O)CCCC(=O)CCCC(C)C 1458a_100000239890_100011214892 [0,3,0,0,0,0|0,0,1]=4 3138 B14R0.304 COC(=O)CCCC(=O)CCCC(C)C 1458a_100011216857_100011218270 [0,3,0,0,0,0|0,0,1]=4 3139 B14R0.304 COC(=O)CCCC(=O)CCCC(C)O 1458a_100000239890_200000718107 [0,3,0,0,0,0|0,0,1]=4 3140 B14R0.304 COC(=O)CCNC(=O)CCCC(C)C 188690a_100000683876_100011216857 [0,3,0,0,0,0|1,0,0]=4 3141 B14R0.304 COC(=O)CCNC(=O)CCCC(C)O 188690a_100000683876_100000761597 [0,3,0,0,0,0|1,0,0]=4 3142 B14R0.511 CCCCCNC(=O)C(C)NCC(=O)O 269956a_100016091260_100000735910 [0,3,0,0,0,0|1,0,0]=4 3143 B14R0.473 CCCCCC(=O)N(C)CCC(=O)OC 11a_100025711912_100000212188 [0,3,0,0,0,0|1,0,0]=4 3144 B14R0.473 CCCCCC(=O)N(C)CCC(=O)OC 1626a_100025711912_100000212188 [0,3,0,0,0,0|1,0,0]=4 3145 B14R0.473 CCCCCC(=O)N(C)CCC(=O)OC 240690a_100025711912_100000212188 [0,3,0,0,0,0|1,0,0]=4 3146 B14R0.473 CCCCCC(=O)N(C)CCC(=O)OC 527a_100025711912_100000212188 [0,3,0,0,0,0|1,0,0]=4 3147 B14R0.473 CCCCCC(C)C(=O)CCC(=O)OC 1458a_100000187943_200011218191 [0,3,0,0,0,0|0,0,1]=4 3148 B14R0.473 CCCCCN(C)C(=O)CCC(=O)OC 11a_100000223495_100000187943 [0,3,0,0,0,0|1,0,0]=4 3149 B14R0.473 CCCCCN(C)C(=O)CCC(=O)OC 1626a_100000223495_100000187943 [0,3,0,0,0,0|1,0,0]=4 3150 B14R0.473 CCCCCN(C)C(=O)CCC(=O)OC 240690a_100000223495_100000187943 [0,3,0,0,0,0|1,0,0]=4 3151 B14R0.473 CCCCCN(C)C(=O)CCC(=O)OC 527a_100000223495_100000187943 [0,3,0,0,0,0|1,0,0]=4 3152 B14R0.244 CCCCCC(=O)CCC(C)C(=O)OC 1458a_100000212188_100000034942 [0,3,0,0,0,0|0,0,1]=4 3153 B14R0.244 CCCCCC(=O)NCC(O)C(=O)OC 188690a_100000695228_100000212188 [0,3,0,0,0,0|1,0,0]=4 3154 B14R0.2432 CCCCCC(=O)CCCC(=O)OCC 1458a_100000210991_100000210326 [0,3,0,0,0,0|0,0,1]=4 3155 B14R0.2432 CCCCCC(=O)CCCC(=O)OCC 1458a_100000212188_100011215271 [0,3,0,0,0,0|0,0,1]=4 3156 B14R0.2432 CCCCCC(=O)NCCC(=O)OCC 188690a_100000746078_100000212188 [0,3,0,0,0,0|1,0,0]=4 3157 B14R0.2861 CCCC(C)CC(=O)CCCC(=O)OC 1458a_100000239890_100011216630 [0,3,0,0,0,0|0,0,1]=4 3158 B14R0.2861 CCCC(C)CC(=O)CCCC(=O)OC 1458a_100000748435_100011218270 [0,3,0,0,0,0|0,0,1]=4 3159 B14R0.2861 CCCC(C)CC(=O)NCCC(=O)OC 188690a_100000683876_100000748435 [0,3,0,0,0,0|1,0,0]=4 3160 B14R0.337 CC/C=C/CC/C=C/COCC(=O)OC 34a_100016264143_100000747449 [0,3,0,0,0,0|0,0,1]=4 3161 B14R0.337 CC/C=C/CC/C=C/COCC(=O)OC 7a_100016264143_100000747449 [0,3,0,0,0,0|0,0,1]=4 3162 B14R0.337 CCCCC/C=C/COCCC(=O)NC 34a_100016258190_100012179268 [0,3,0,0,0,0|1,0,0]=4 3163 B14R0.337 CCCCC/C=C/COCCC(=O)NC 7a_100016258190_100000737683 [0,3,0,0,0,0|1,0,0]=4 3164 B14R0.337 CCCCC/C=C/COCCC(=O)OC 34a_100016258190_100000742370 [0,3,0,0,0,0|0,0,0]=3 3165 B14R0.337 CCCCC/C=C/COCCC(=O)OC 7a_100016258190_100000204255 [0,3,0,0,0,0|0,0,0]=3 3166 B14R0.337 CCCCC/C=C\CCOCC(=O)CC 7a_100016277358_100000747405 [0,3,0,0,0,0|1,0,0]=4 3167 B14R0.337 CCCCC/C=C\CCOCC(=O)NC 34a_100016277358_100000183359 [0,3,0,0,0,0|1,0,0]=4 3168 B14R0.337 CCCCC/C=C\CCOCC(=O)NC 7a_100016277358_100000183359 [0,3,0,0,0,0|1,0,0]=4 3169 B14R0.337 CCCCC/C=C\CCOCC(=O)OC 34a_100016277358_100000747449 [0,3,0,0,0,0|0,0,0]=3 3170 B14R0.337 CCCCC/C=C\CCOCC(=O)OC 7a_100016277358_100000747449 [0,3,0,0,0,0|0,0,0]=3 3171 B14R0.337 CCCCCC/C=C/COCC(=O)CC 7a_200016276170_100000747405 [0,3,0,0,0,0|1,0,0]=4 3172 B14R0.337 CCCCCC/C=C/COCC(=O)NC 34a_200016276170_100000183359 [0,3,0,0,0,0|1,0,0]=4 3173 B14R0.337 CCCCCC/C=C/COCC(=O)NC 7a_200016276170_100000183359 [0,3,0,0,0,0|1,0,0]=4 3174 B14R0.337 CCCCCC/C=C/COCC(=O)OC 34a_200016276170_100000747449 [0,3,0,0,0,0|0,0,0]=3 3175 B14R0.337 CCCCCC/C=C/COCC(=O)OC 7a_200016276170_100000747449 [0,3,0,0,0,0|0,0,0]=3 3176 B14R0.337 CCCCCNN=CCCCC(=O)OC 4a_100000694160_100000094087 [0,3,0,0,0,0|0,0,1]=4 3177 B14R0.340 CCCCC/C=C/COCC(=O)C(=O)C 34a_100016258190_100011261029 [0,3,0,0,0,0|0,0,1]=4 3178 B14R0.340 CCCCC/C=C/COCC(=O)C(C)C 34a_100016258190_100000753385 [0,3,0,0,0,0|1,0,0]=4 3179 B14R0.340 CCCCC/C=C/COCC(=O)C(C)C 7a_100016258190_100000753385 [0,3,0,0,0,0|1,0,0]=4 3180 B14R0.340 CCCCC/C=C/COCC(=O)N(C)C 34a_100016258190_100000692301 [0,3,0,0,0,0|1,0,0]=4 3181 B14R0.340 CCCCC/C=C/COCC(=O)N(C)C 7a_100016258190_100000692301 [0,3,0,0,0,0|1,0,0]=4 3182 B14R0.340 CCCCC/C=C\CCOC(C)C(=O)C 7a_100016277358_100000179758 [0,3,0,0,0,0|1,0,0]=4 3183 B14R0.340 CCCCC/C=C\CCOC(C)C(=O)N 34a_100016277358_100000702099 [0,3,0,0,0,0|1,0,0]=4 3184 B14R0.340 CCCCC/C=C\CCOC(C)C(=O)N 7a_100016277358_100000702099 [0,3,0,0,0,0|1,0,0]=4 3185 B14R0.340 CCCCC/C=C\CCOC(F)C(=O)N 34a_100016277358_100009813875 [0,3,0,0,0,0|1,0,0]=4 3186 B14R0.340 CCCCC/C=C\CCOC(F)C(=O)N 7a_100016277358_100009813875 [0,3,0,0,0,0|1,0,0]=4 3187 B14R0.340 CCCCC/C=C\CCOC(F)C(=O)[O-] 34a_100016277358_100020610796 [0,3,0,0,0,0|0,0,1]=4 3188 B14R0.340 CCCCCC/C=C/COC(C)C(=O)C 7a_200016276170_100000179758 [0,3,0,0,0,0|1,0,0]=4 3189 B14R0.340 CCCCCC/C=C/COC(C)C(=O)N 34a_200016276170_100000702099 [0,3,0,0,0,0|1,0,0]=4 3190 B14R0.340 CCCCCC/C=C/COC(C)C(=O)N 7a_200016276170_100000702099 [0,3,0,0,0,0|1,0,0]=4 3191 B14R0.340 CCCCCC/C=C/COC(F)C(=O)N 34a_200016276170_100009813875 [0,3,0,0,0,0|1,0,0]=4 3192 B14R0.340 CCCCCC/C=C/COC(F)C(=O)N 7a_200016276170_100009813875 [0,3,0,0,0,0|1,0,0]=4 3193 B14R0.340 CCCCCC/C=C/COC(F)C(=O)[O-] 34a_200016276170_100020610796 [0,3,0,0,0,0|0,0,1]=4 3194 B14R0.344 CCCCC/C=C/CC(=O)NCC(=O)N 11a_100000711301_100020675968 [0,3,0,0,0,0|1,0,0]=4 3195 B14R0.344 CCCCC/C=C/CC(=O)NCC(=O)N 240690a_100000711301_100020675968 [0,3,0,0,0,0|1,0,0]=4 3196 B14R0.394 CCCCC/C=C/C=C/COCC(=O)N 34a_200014065772_100000187820 [0,3,0,0,0,0|1,0,0]=4 3197 B14R0.394 CCCCC/C=C/C=C/COCC(=O)N 7a_200014065772_100000187820 [0,3,0,0,0,0|1,0,0]=4 3198 B14R0.394 CCCCC/C=C/C=C/COCC(=O)[O-] 34a_200014065772_100020667443 [0,3,0,0,0,0|0,0,1]=4 3199 B14R0.394 CCCCC/C=C/CCC=NNC(=O)C 4a_100000189765_100020587594 [0,3,0,0,0,0|1,0,0]=4 3200 B14R0.394 CCCCC/C=C/COCCCC(=O)C 34a_100016258190_100000685027 [0,3,0,0,0,0|1,0,0]=4 3201 B14R0.394 CCCCC/C=C/COCCCC(=O)C 7a_100016258190_100011215641 [0,3,0,0,0,0|1,0,0]=4 3202 B14R0.394 CCCCC/C=C/COCCCC(=O)N 34a_100016258190_100102525003 [0,3,0,0,0,0|1,0,0]=4 3203 B14R0.394 CCCCC/C=C/COCCCC(=O)N 7a_100016258190_100102525003 [0,3,0,0,0,0|1,0,0]=4 3204 B14R0.394 CCCCC/C=C/COCCNC(=O)C 7a_100016258190_100000189650 [0,3,0,0,0,0|1,0,0]=4 3205 B14R0.394 CCCCC/C=C/COCCNC(=O)N 7a_100016258190_200000034859 [0,3,0,0,0,0|1,0,0]=4 3206 B14R0.394 CCCCC/C=C/COCCOC(=O)C 34a_100016258190_100009814007 [0,3,0,0,0,0|1,0,0]=4 3207 B14R0.394 CCCCC/C=C/COCCOC(=O)C 7a_100016258190_100009814007 [0,3,0,0,0,0|1,0,0]=4 3208 B14R0.394 CCCCC/C=C/COCCOC(=O)N 34a_100016258190_200011214921 [0,3,0,0,0,0|1,0,0]=4 3209 B14R0.394 CCCCC/C=C/COCCOC(=O)N 7a_100016258190_200011214921 [0,3,0,0,0,0|1,0,0]=4 3210 B14R0.394 CCCCC/C=C\CCCOCC(=O)N 34a_100020655193_100000187820 [0,3,0,0,0,0|1,0,0]=4 3211 B14R0.394 CCCCC/C=C\CCCOCC(=O)N 7a_100020655193_100000187820 [0,3,0,0,0,0|1,0,0]=4 3212 B14R0.394 CCCCC/C=C\CCCOCC(=O)[O-] 34a_100020655193_100020667443 [0,3,0,0,0,0|0,0,1]=4 3213 B14R0.394 CCCCC/C=C\CCOCCC(=O)C 7a_100016277358_100000053229 [0,3,0,0,0,0|1,0,0]=4 3214 B14R0.394 CCCCC/C=C\CCOCCC(=O)N 34a_100016277358_100000731001 [0,3,0,0,0,0|1,0,0]=4 3215 B14R0.394 CCCCC/C=C\CCOCCC(=O)N 7a_100016277358_100000744528 [0,3,0,0,0,0|1,0,0]=4 3216 B14R0.394 CCCCC/C=C\CCOCOC(=O)C 34a_100016277358_100009813279 [0,3,0,0,0,0|1,0,0]=4 3217 B14R0.394 CCCCCC/C=C/COCCC(=O)C 7a_200016276170_100000053229 [0,3,0,0,0,0|1,0,0]=4 3218 B14R0.394 CCCCCC/C=C/COCCC(=O)N 34a_200016276170_100000731001 [0,3,0,0,0,0|1,0,0]=4 3219 B14R0.394 CCCCCC/C=C/COCCC(=O)N 7a_200016276170_100000744528 [0,3,0,0,0,0|1,0,0]=4 3220 B14R0.394 CCCCCC/C=C/COCOC(=O)C 34a_200016276170_100009813279 [0,3,0,0,0,0|1,0,0]=4 3221 B14R0.140 CCCCCC=CC(=O)NCC(=O)OC 188690a_100000185156_100016263427 [0,3,0,0,0,0|0,0,1]=4 3222 B14R0.140 CCCCCCCC(=O)CCC(=O)OC 1458a_100000187943_100000210614 [0,3,0,0,0,0|0,0,1]=4 3223 B14R0.140 CCCCCCNC(=O)CCC(=O)OC 11a_100000210581_100000187943 [0,3,0,0,0,0|0,0,1]=4 3224 B14R0.140 CCCCCCNC(=O)CCC(=O)OC 1626a_100000210581_100000187943 [0,3,0,0,0,0|0,0,1]=4 3225 B14R0.140 CCCCCCNC(=O)CCC(=O)OC 240690a_100000210581_100000187943 [0,3,0,0,0,0|0,0,1]=4 3226 B14R0.140 CCCCCCNC(=O)CCC(=O)OC 527a_100000210581_100000187943 [0,3,0,0,0,0|0,0,1]=4 3227 B14R0.140 CCCCCNCC(=O)CCC(=O)OC 2230a_100000209983_100000691467 [0,3,0,0,0,0|0,0,1]=4 3228 B14R0.140 CCCCCNN=C(C)CCC(=O)OC 4a_100000694160_100000756497 [0,3,0,0,0,0|1,0,0]=4 3229 B14R0.140 CCCCCOCC(=O)CCC(=O)OC 34a_100000210253_100000691467 [0,3,0,0,0,0|0,0,1]=4 3230 B14R0.140 CCCCCOCC(=O)CCC(=O)OC 7a_100000210253_100000691467 [0,3,0,0,0,0|0,0,1]=4 3231 B14R0.140 CCCCCSCC(=O)CCC(=O)OC 62a_100000210326_100000691467 [0,3,0,0,0,0|0,0,1]=4 3232 B14R0.140 CCCCCSCC(=O)CCC(=O)OC 62a_100000691467_100000210326 [0,3,0,0,0,0|0,0,1]=4 3233 B14R0.140 CCCCOCCC(=O)CCC(=O)OC 1458a_100000187943_100000743108 [0,3,0,0,0,0|0,0,1]=4 3234 B14R0.140 CCCOCCNC(=O)CCC(=O)OC 1626a_100161115042_100000187943 [0,3,0,0,0,0|1,0,0]=4 3235 B14R0.140 CCCOCCNC(=O)CCC(=O)OC 240690a_100161115042_100000187943 [0,3,0,0,0,0|1,0,0]=4 3236 B14R0.140 CCCOCCNC(=O)CCC(=O)OC 527a_100161115042_100000187943 [0,3,0,0,0,0|1,0,0]=4 3237 B14R0.140 CCCSCCNC(=O)CCC(=O)OC 11a_100020603323_100000187943 [0,3,0,0,0,0|1,0,0]=4 3238 B14R0.140 CCCSCCNC(=O)CCC(=O)OC 240690a_100020603323_100000187943 [0,3,0,0,0,0|1,0,0]=4 3239 B14R0.140 CCCSCCNC(=O)CCC(=O)OC 527a_100020603323_100000187943 [0,3,0,0,0,0|1,0,0]=4 3240 B14R0.140 CCOCCCNC(=O)CCC(=O)OC 11a_100000210961_100000187943 [0,3,0,0,0,0|1,0,0]=4 3241 B14R0.140 CCOCCCNC(=O)CCC(=O)OC 1626a_100000210961_100000187943 [0,3,0,0,0,0|1,0,0]=4 3242 B14R0.140 CCOCCCNC(=O)CCC(=O)OC 240690a_100000210961_100000187943 [0,3,0,0,0,0|1,0,0]=4 3243 B14R0.140 CCOCCCNC(=O)CCC(=O)OC 527a_100000210961_100000187943 [0,3,0,0,0,0|1,0,0]=4 3244 B14R0.140 COC(=O)CCC(=O)CCCCCCF 1458a_100000187943_100015922095 [0,3,0,0,0,0|0,0,1]=4 3245 B14R0.140 COC(=O)CCC(=O)CCCCCCO 1458a_100000187943_100000766143 [0,3,0,0,0,0|0,0,1]=4 3246 B14R0.140 COC(=O)CCC(=O)NCCCCCO 240690a_100000762737_100000187943 [0,3,0,0,0,0|1,0,0]=4 3247 B14R0.181 C#CC(C)C(=O)CC/C=C/CCCCC 1458a_200015255902_200000035995 [0,3,0,0,0,0|1,0,0]=4 3248 B14R0.181 CCCCC/C=C/CCC(=O)C(C)C#N 1458a_200015255902_100000703298 [0,3,0,0,0,0|1,0,0]=4 3249 B14R0.181 CCCCC/C=C/CCC(=O)C(C)CC 1458a_200015255902_100000758301 [0,3,0,0,0,0|1,0,0]=4 3250 B14R0.181 CCCCC/C=C/CCC(=O)N(C)CC 11a_100000225621_200015255902 [0,3,0,0,0,0|1,0,0]=4 3251 B14R0.181 CCCCC/C=C/CCC(=O)N(C)CC 1626a_100000225621_200015255902 [0,3,0,0,0,0|1,0,0]=4 3252 B14R0.181 CCCCC/C=C/CCC(=O)N(C)CC 240690a_100000225621_200015255902 [0,3,0,0,0,0|1,0,0]=4 3253 B14R0.181 CCCCC/C=C/CCC(=O)N(C)CC 527a_100000225621_200015255902 [0,3,0,0,0,0|1,0,0]=4 3254 B14R0.181 CCCCC/C=C/COC(C)C(=O)CC 7a_100016258190_100000742827 [0,3,0,0,0,0|1,0,0]=4 3255 B14R0.181 CCCCC/C=C/COC(C)C(=O)NC 34a_100016258190_100000731044 [0,3,0,0,0,0|1,0,0]=4 3256 B14R0.181 CCCCC/C=C/COC(C)C(=O)NC 7a_100016258190_100000209862 [0,3,0,0,0,0|1,0,0]=4 3257 B14R0.181 CCCCC/C=C/COC(C)C(=O)OC 34a_100016258190_100000211248 [0,3,0,0,0,0|0,0,0]=3 3258 B14R0.181 CCCCC/C=C/COC(C)C(=O)OC 7a_100016258190_100000211248 [0,3,0,0,0,0|0,0,0]=3 3259 B14R0.181 CCCCC/C=C/COC(F)C(=O)NC 34a_100016258190_100009813575 [0,3,0,0,0,0|1,0,0]=4 3260 B14R0.181 CCCCC/C=C/COC(F)C(=O)NC 7a_100016258190_100009813575 [0,3,0,0,0,0|1,0,0]=4 3261 B14R0.393 C=COC(=O)COC/C=C/CCCCC 34a_100016258190_100000036128 [0,3,0,0,0,0|0,0,0]=3 3262 B14R0.393 CCCCC/C=C/COCC(=O)CCC 7a_100016258190_100000747444 [0,3,0,0,0,0|1,0,0]=4 3263 B14R0.393 CCCCC/C=C/COCC(=O)NCC 34a_100016258190_100000183381 [0,3,0,0,0,0|1,0,0]=4 3264 B14R0.393 CCCCC/C=C/COCC(=O)NCC 7a_100016258190_100000183381 [0,3,0,0,0,0|1,0,0]=4 3265 B14R0.393 CCCCC/C=C/COCC(=O)NCO 34a_100016258190_100000185155 [0,3,0,0,0,0|0,0,0]=3 3266 B14R0.393 CCCCC/C=C/COCC(=O)NCO 7a_100016258190_100000185155 [0,3,0,0,0,0|0,0,0]=3 3267 B14R0.393 CCCCC/C=C/COCC(=O)OCC 34a_100016258190_100000188475 [0,3,0,0,0,0|0,0,0]=3 3268 B14R0.393 CCCCC/C=C/COCC(=O)OCC 7a_100016258190_100000188475 [0,3,0,0,0,0|0,0,0]=3 3269 B14R0.488 CCCCC/C=C/COC(CC)C(=O)N 34a_100016258190_100000750255 [0,3,0,0,0,0|1,0,0]=4 3270 B14R0.488 CCCCC/C=C/COC(CC)C(=O)N 7a_100016258190_100000750255 [0,3,0,0,0,0|1,0,0]=4 3271 B14R0.199 CCCCCCC(=O)CCC(=O)OCC 1458a_100000183558_100000210757 [0,3,0,0,0,0|0,0,1]=4 3272 B14R0.199 CCCCCNC(=O)CCC(=O)OCC 11a_100000209983_100000183558 [0,3,0,0,0,0|1,0,0]=4 3273 B14R0.199 CCCCCNC(=O)CCC(=O)OCC 1626a_100000209983_100000183558 [0,3,0,0,0,0|1,0,0]=4 3274 B14R0.199 CCCCCNC(=O)CCC(=O)OCC 240690a_100000209983_100000183558 [0,3,0,0,0,0|1,0,0]=4 3275 B14R0.493 C#CCCC(=O)CC/C=C/CCCCC 1458a_200015255902_100000753159 [0,3,0,0,0,0|1,0,0]=4 3276 B14R0.493 C#CCNC(=O)CC/C=C/CCCCC 11a_100000212058_200015255902 [0,3,0,0,0,0|1,0,0]=4 3277 B14R0.493 C#CCNC(=O)CC/C=C/CCCCC 1626a_100000212058_200015255902 [0,3,0,0,0,0|1,0,0]=4 3278 B14R0.493 C#CCNC(=O)CC/C=C/CCCCC 240690a_100000212058_200015255902 [0,3,0,0,0,0|1,0,0]=4 3279 B14R0.493 C#CCNC(=O)CC/C=C/CCCCC 527a_100000212058_200015255902 [0,3,0,0,0,0|1,0,0]=4 3280 B14R0.493 C/C=C/CC(=O)CC/C=C/CCCCC 1458a_200015255902_100102629194 [0,3,0,0,0,0|1,0,0]=4 3281 B14R0.493 C=CCCC(=O)CC/C=C/CCCCC 1458a_200015255902_100000754431 [0,3,0,0,0,0|1,0,0]=4 3282 B14R0.493 C=CCNC(=O)CC/C=C/CCCCC 1626a_100020586998_200015255902 [0,3,0,0,0,0|1,0,0]=4 3283 B14R0.493 C=CCNC(=O)CC/C=C/CCCCC 240690a_100020586998_200015255902 [0,3,0,0,0,0|1,0,0]=4 3284 B14R0.493 C=CCNC(=O)CC/C=C/CCCCC 527a_100020586998_200015255902 [0,3,0,0,0,0|1,0,0]=4 3285 B14R0.493 CC#CCC(=O)CC/C=C/CCCCC 1458a_200015255902_100000748600 [0,3,0,0,0,0|1,0,0]=4 3286 B14R0.493 CC=CCC(=O)CC/C=C/CCCCC 1458a_200015255902_100000070051 [0,3,0,0,0,0|1,0,0]=4 3287 B14R0.493 CCCCC/C=C/CCC(=O)CCC#N 1458a_200015255902_100011215226 [0,3,0,0,0,0|1,0,0]=4 3288 B14R0.493 CCCCC/C=C/CCC(=O)CCCC 1458a_200015255902_100000210211 [0,3,0,0,0,0|1,0,0]=4 3289 B14R0.493 CCCCC/C=C/CCC(=O)CCCF 1458a_200015255902_100011934791 [0,3,0,0,0,0|1,0,0]=4 3290 B14R0.493 CCCCC/C=C/CCC(=O)CCCO 1458a_200015255902_100011215043 [0,3,0,0,0,0|0,0,0]=3 3291 B14R0.493 CCCCC/C=C/CCC(=O)CCOC 1458a_200015255902_100000233755 [0,3,0,0,0,0|0,0,0]=3 3292 B14R0.493 CCCCC/C=C/CCC(=O)CCSC 1458a_200015255902_100000751147 [0,3,0,0,0,0|0,1,0]=4 3293 B14R0.493 CCCCC/C=C/CCC(=O)NCC#N 1626a_100000734998_200015255902 [0,3,0,0,0,0|1,0,0]=4 3294 B14R0.493 CCCCC/C=C/CCC(=O)NCC#N 527a_100000734998_200015255902 [0,3,0,0,0,0|1,0,0]=4 3295 B14R0.493 CCCCC/C=C/CCC(=O)NCCC 11a_100020643023_200015255902 [0,3,0,0,0,0|1,0,0]=4 3296 B14R0.493 CCCCC/C=C/CCC(=O)NCCC 1626a_100020643023_200015255902 [0,3,0,0,0,0|1,0,0]=4 3297 B14R0.493 CCCCC/C=C/CCC(=O)NCCC 240690a_100020643023_200015255902 [0,3,0,0,0,0|1,0,0]=4 3298 B14R0.493 CCCCC/C=C/CCC(=O)NCCC 527a_100020643023_200015255902 [0,3,0,0,0,0|1,0,0]=4 3299 B14R0.493 CCCCC/C=C/CCC(=O)NCCF 11a_100000724931_200015255902 [0,3,0,0,0,0|1,0,0]=4 3300 B14R0.493 CCCCC/C=C/CCC(=O)NCCF 1626a_100000724931_200015255902 [0,3,0,0,0,0|1,0,0]=4 3301 B14R0.493 CCCCC/C=C/CCC(=O)NCCF 240690a_100000724931_200015255902 [0,3,0,0,0,0|1,0,0]=4 3302 B14R0.493 CCCCC/C=C/CCC(=O)NCCF 527a_100000724931_200015255902 [0,3,0,0,0,0|1,0,0]=4 3303 B14R0.493 CCCCC/C=C/CCC(=O)NCCO 240690a_100000210304_200015255902 [0,3,0,0,0,0|0,0,0]=3 3304 B14R0.493 CCCCC/C=C/CCC(=O)NCCO 527a_100000210304_200015255902 [0,3,0,0,0,0|0,0,0]=3 3305 B14R0.493 CCCCC/C=C/CCC(=O)NNCC 22a_100000756455_200015255902 [0,3,0,0,0,0|1,0,0]=4 3306 B10R1.18 CC(=O)C=C1CCCCC1 1458a_100000743792_200000210301 [2,0,0,1,0,0|1,0,0]=4 3307 B10R1.18 CC(=O)CC1=CCCCC1 1458a_100000039269_200000210301 [2,0,0,1,0,0|1,0,0]=4 3308 B10R1.18 CC(=O)CC1CCCCC1 1458a_100000070787_100000211423 [2,0,0,1,0,0|1,0,0]=4 3309 B10R1.18 CC(=O)CC1CCCCC1 1458a_100000211666_200000210301 [2,0,0,1,0,0|1,0,0]=4 3310 B10R1.18 [13CH3]C(=O)C=C1CCCCC1 1458a_100000743792_200025704644 [2,0,0,1,0,0|1,0,0]=4 3311 B10R1.18 [13CH3]C(=O)CC1=CCCCC1 1458a_100000039269_200025704644 [2,0,0,1,0,0|1,0,0]=4 3312 B10R1.18 [13CH3]C(=O)CC1CCCCC1 1458a_100000211666_200025704644 [2,0,0,1,0,0|1,0,0]=4 3313 B10R1.39 CCN1CC=C[C@H]1C(=O)O 269956a_100000057196_100000210202 [2,0,0,1,0,0|1,0,0]=4 3314 B10R1.39 CCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210202 [2,0,0,1,0,0|1,0,0]=4 3315 B10R1.61 CC(=O)C1CCCCC1C 1458a_100011215568_200000210301 [2,0,0,1,0,0|1,0,0]=4 3316 B10R1.61 CC1CCCCC1C(=O)[13CH3] 1458a_100011215568_200025704644 [2,0,0,1,0,0|1,0,0]=4 3317 B10R1.61 CN1CCCC[C@@H]1C(=O)O 269956a_100000763471_200000210301 [2,0,0,1,0,0|1,0,0]=4 3318 B10R1.61 [13CH3]N1CCCC[C@@H]1C(=O)O 269956a_100000763471_200025704644 [2,0,0,1,0,0|1,0,0]=4 3319 B10R1.66 CC(=O)CCC1CCCC1 1458a_100000070787_100000760354 [2,0,0,1,0,0|1,0,0]=4 3320 B10R1.66 CC(=O)CCC1CCCC1 1458a_100000211120_200000210301 [2,0,0,1,0,0|1,0,0]=4 3321 B10R1.66 O=C(O)CNC1CCCC1 269956a_100016091260_100000179811 [2,0,0,1,0,0|1,0,0]=4 3322 B10R1.66 [13CH3]C(=O)CCC1CCCC1 1458a_100000211120_200025704644 [2,0,0,1,0,0|1,0,0]=4 3323 B10R1.86 CCCN1CCC1C(=O)O 269956a_100000021838_100000210207 [2,0,0,1,0,0|1,0,0]=4 3324 B10R1.126 O=C(O)CNCCC1CC1 269956a_100016091260_100000694398 [2,0,0,1,0,0|1,0,0]=4 3325 B10R1.127 O=C(O)CNCC1CCC1 269956a_100016091260_100000763275 [2,0,0,1,0,0|1,0,0]=4 3326 B10R1.348 CC(=O)C1CCCCCC1 1458a_100000070787_100011217769 [2,0,0,1,0,0|1,0,0]=4 3327 B10R1.348 CC(=O)C1CCCCCC1 1458a_100000749507_200000210301 [2,0,0,1,0,0|1,0,0]=4 3328 B10R1.348 [13CH3]C(=O)C1CCCCCC1 1458a_100000749507_200025704644 [2,0,0,1,0,0|1,0,0]=4 3329 B10R1.29 CCOCC1=CCCC1=O 34a_100000087531_100000210202 [2,0,0,1,0,0|1,0,0]=4 3330 B12R1.392 CC(C)CN1CC=C[C@H]1C(=O)O 269956a_100000057196_100000210760 [1,1,0,1,0,0|1,0,0]=4 3331 B12R1.392 CC(O)CN1CC=C[C@H]1C(=O)O 269956a_100000057196_100011218427 [1,1,0,1,0,0|1,0,0]=4 3332 B12R1.392 C[C@@H](O)CN1CC=C[C@H]1C(=O)O 269956a_100000057196_100009817552 [1,1,0,1,0,0|1,0,0]=4 3333 B12R1.27 O=C(CO)CCC1CCCCC1 1458a_100000210174_100011273959 [1,1,0,1,0,0|0,0,1]=4 3334 B12R1.27 O=C(CO)CCN1CCCCC1 1458a_100000210174_100000739454 [1,1,0,1,0,0|1,0,0]=4 3335 B12R1.353 COC(=O)CCN1CCC[C@@H]1C 2230a_100020605311_100000204255 [1,1,0,1,0,0|1,0,0]=4 3336 B12R1.353 COC(=O)CCN1CCC[C@@H]1C 269982a_100020605311_100000204255 [1,1,0,1,0,0|1,0,0]=4 3337 B12R1.353 COC(=O)CCN1CCC[C@H]1C 2230a_100015189458_100000204255 [1,1,0,1,0,0|1,0,0]=4 3338 B12R1.353 COC(=O)CCN1CCC[C@H]1C 269982a_100015189458_100000204255 [1,1,0,1,0,0|1,0,0]=4 3339 B12R1.353 COC(=O)CCN1CCC[C@H]1C 34a_100015189458_100000742370 [1,1,0,1,0,0|1,0,0]=4 3340 B12R1.355 COC(=O)CCOCC1CC1C 34a_100000744939_100000742370 [1,1,0,1,0,0|1,0,0]=4 3341 B12R1.355 COC(=O)CCOCC1CC1C 7a_100000744939_100000204255 [1,1,0,1,0,0|1,0,0]=4 3342 B12R1.356 COC(=O)CCNCC1CCC1 2230a_100000738700_100000204255 [1,1,0,1,0,0|1,0,0]=4 3343 B12R1.356 COC(=O)CCNCC1CCC1 34a_100000738700_100000742370 [1,1,0,1,0,0|1,0,0]=4 3344 B12R1.356 COC(=O)CCOCC1CCC1 34a_100000760304_100000742370 [1,1,0,1,0,0|1,0,0]=4 3345 B12R1.356 COC(=O)CCSCC1CCC1 62a_100000204255_100000763275 [1,1,0,1,0,0|1,0,0]=4 3346 B12R1.356 COC(=O)CCSCC1CCC1 62a_100000763275_100000204255 [1,1,0,1,0,0|1,0,0]=4 3347 B12R1.360 COC(=O)CCNCCC1CC1 34a_100000764129_100000742370 [1,1,0,1,0,0|1,0,0]=4 3348 B12R1.360 COC(=O)CCOCCC1CC1 34a_100000754188_100000742370 [1,1,0,1,0,0|1,0,0]=4 3349 B12R1.360 COC(=O)CCOCCC1CC1 7a_100000754188_100000204255 [1,1,0,1,0,0|1,0,0]=4 3350 B12R1.360 COC(=O)CCSCCC1CC1 62a_100000204255_100000764125 [1,1,0,1,0,0|1,0,0]=4 3351 B12R1.360 COC(=O)CCSCCC1CC1 62a_100000764125_100000204255 [1,1,0,1,0,0|1,0,0]=4 3352 B12R1.477 COC(=O)CCNC1CCCC1 2230a_100000211070_100000204255 [1,1,0,1,0,0|1,0,0]=4 3353 B12R1.477 COC(=O)CCNC1CCCC1 34a_100000211070_100000742370 [1,1,0,1,0,0|1,0,0]=4 3354 B12R1.477 COC(=O)CCOC1CCCC1 34a_100000210269_100000742370 [1,1,0,1,0,0|1,0,0]=4 3355 B12R1.477 COC(=O)CCOC1CCCC1 7a_100000210269_100000204255 [1,1,0,1,0,0|1,0,0]=4 3356 B12R1.477 COC(=O)CCSC1CCCC1 62a_100000204255_100000179811 [1,1,0,1,0,0|1,0,0]=4 3357 B12R1.477 COC(=O)CCSC1CCCC1 62a_100011217020_100000204255 [1,1,0,1,0,0|1,0,0]=4 3358 B12R1.477 O=C(CO)CCCC1CCCC1 1458a_100000210174_100011713738 [1,1,0,1,0,0|0,0,1]=4 3359 B12R1.1412 CCCCCN1CC1C(=O)OC 2230a_200009830135_100000210326 [1,1,0,1,0,0|1,0,0]=4 3360 B12R1.1748 O=C(CO)CC1CCCCCC1 1458a_100000210174_200000696569 [1,1,0,1,0,0|0,0,1]=4 3361 B12R1.264 CC(CNC1CCCC1)C(=O)O 269956a_100000749485_100000179811 [1,1,0,1,0,0|1,0,0]=4 3362 B12R1.264 O=C(O)C(F)CNC1CCCC1 269956a_100000084737_100000179811 [1,1,0,1,0,0|1,0,0]=4 3363 B12R1.337 CCCN[C@@H]1C=C[C@@H](C1)C(=O)O 269956a_100016988855_100000210207 [1,1,0,1,0,0|1,0,0]=4 3364 B12R1.1396 CC(CNCC1CCC1)C(=O)O 269956a_100000749485_100000763275 [1,1,0,1,0,0|1,0,0]=4 3365 B12R1.1396 O=C(O)C(F)CNCC1CCC1 269956a_100000084737_100000763275 [1,1,0,1,0,0|1,0,0]=4 3366 B12R1.1397 CC(CNCCC1CC1)C(=O)O 269956a_100000749485_100000694398 [1,1,0,1,0,0|1,0,0]=4 3367 B12R1.1397 O=C(O)C(F)CNCCC1CC1 269956a_100000084737_100000694398 [1,1,0,1,0,0|1,0,0]=4 3368 B12R1.54 NC(=O)CCC(=O)C1CCCC1 1458a_100011215257_100000179811 [1,1,0,1,0,0|1,0,0]=4 3369 B12R1.486 CCCCCC(=O)[C@@H]1CC(=O)N1 1458a_100016090685_100000210326 [1,1,0,1,0,0|1,0,0]=4 3370 B12R1.551 NC(=O)CCC(=O)CC1CCC1 1458a_100011215257_100000763275 [1,1,0,1,0,0|1,0,0]=4 3371 B12R1.552 NC(=O)CCC(=O)CCC1CC1 1458a_100011215257_100000694398 [1,1,0,1,0,0|1,0,0]=4 3372 B12R1.368 CCC(C)N1CC=C[C@H]1C(=O)O 269956a_100000057196_100000758301 [1,1,0,1,0,0|1,0,0]=4 3373 B12R1.29 CCCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000210211 [1,1,0,1,0,0|0,0,1]=4 3374 B12R1.320 C=CCN1CC=CC1CCCC 2230a_100015184376_100000210623 [1,1,0,1,0,0|1,0,0]=4 3375 B12R1.320 C=CCN1CC=CC1CCCC 269982a_100015184376_100000210623 [1,1,0,1,0,0|1,0,0]=4 3376 B12R1.320 C=CCN1CC=CC1CCCC 34a_100015184376_100015514636 [1,1,0,1,0,0|1,0,0]=4 3377 B12R1.320 CCCCC1C=CCN1CC=O 2230a_100015184376_200015260668 [1,1,0,1,0,0|0,0,0]=3 3378 B12R1.320 CCCCC1C=CCN1CC=O 269982a_100015184376_200015260668 [1,1,0,1,0,0|0,0,0]=3 3379 B12R1.320 CCCCC1C=CCN1CC=O 34a_100015184376_200009817547 [1,1,0,1,0,0|0,0,0]=3 3380 B12R1.320 CCCCC1C=CCN1CCO 2230a_100015184376_100000211926 [1,1,0,1,0,0|0,0,1]=4 3381 B12R1.320 CCCCC1C=CCN1CCO 269982a_100015184376_100000211926 [1,1,0,1,0,0|0,0,1]=4 3382 B12R1.320 CCCCC1C=CCN1CCO 34a_100015184376_100000211926 [1,1,0,1,0,0|0,0,1]=4 3383 B12R1.329 C=CCOC1C=CCCCCC1 34a_100000688657_100015514636 [1,1,0,1,0,0|1,0,0]=4 3384 B12R1.329 O=CCOC1C=CCCCCC1 34a_100000688657_200009817547 [1,1,0,1,0,0|0,0,0]=3 3385 B12R1.329 OCCOC1C=CCCCCC1 34a_100000688657_100000211926 [1,1,0,1,0,0|0,0,1]=4 3386 B12R1.372 CCCCOCC1=CCCC1=O 34a_100000087531_100000210210 [1,1,0,1,0,0|0,0,0]=3 3387 B12R1.372 COCCOCC1=CCCC1=O 34a_100000087531_100011201679 [1,1,0,1,0,0|1,0,0]=4 3388 B12R1.372 CSCCOCC1=CCCC1=O 34a_100000087531_100000212216 [1,1,0,1,0,0|1,0,0]=4 3389 B12R1.372 O=C1CCC=C1COCCCF 34a_100000087531_100011934791 [1,1,0,1,0,0|1,0,0]=4 3390 B12R1.372 O=C1CCC=C1COCCCO 34a_100000087531_100000230001 [1,1,0,1,0,0|1,0,0]=4 3391 B12R1.485 CCCCCC(=O)C1CCC1=O 1458a_100000212188_100009892977 [1,1,0,1,0,0|0,0,1]=4 3392 B12R2.1356 O=C(O)[C@@H]1C=CCN1C2CC2 269956a_100000057196_100000211595 [1,0,0,2,0,0|1,0,0]=4 3393 B14R1.743 COC(=O)CC(=O)C=C1CCCCC1 1458a_100000743792_100000747449 [0,2,0,1,0,0|0,0,1]=4 3394 B14R1.157 CCCCCC(=O)CC1CNC(=O)O1 1458a_100000212188_100000181169 [0,2,0,1,0,0|0,0,1]=4 3395 B14R1.157 CCCCCC(=O)CC1COC(=O)O1 1458a_100000212188_100000073702 [0,2,0,1,0,0|0,0,1]=4 3396 B14R1.37 CCCCCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000210757 [0,2,0,1,0,0|0,0,1]=4 3397 B14R1.37 CCCCCNC(=O)[C@@H]1CCC(=O)O1 11a_100000209983_100009814974 [0,2,0,1,0,0|0,0,1]=4 3398 B14R1.37 CCCCCNC(=O)[C@@H]1CCC(=O)O1 1626a_100000209983_100009814974 [0,2,0,1,0,0|0,0,1]=4 3399 B14R1.37 CCCCCNC(=O)[C@@H]1CCC(=O)O1 240690a_100000209983_100009814974 [0,2,0,1,0,0|0,0,1]=4 3400 B14R1.37 CCCCCNC(=O)[C@@H]1CCC(=O)O1 527a_100000209983_100009814974 [0,2,0,1,0,0|0,0,1]=4 3401 B14R1.37 CCCCOCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100011995733 [0,2,0,1,0,0|0,0,1]=4 3402 B14R1.37 CCCOCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100011215938 [0,2,0,1,0,0|0,0,1]=4 3403 B14R1.37 CCOCCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100012232248 [0,2,0,1,0,0|0,0,1]=4 3404 B14R1.37 COCCCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000755781 [0,2,0,1,0,0|0,0,1]=4 3405 B14R1.37 O=C1CC[C@H](O1)C(=O)CCCCCF 1458a_100009814974_100000729378 [0,2,0,1,0,0|0,0,1]=4 3406 B14R1.37 O=C1CC[C@H](O1)C(=O)CCCCCO 1458a_100009814974_100000746330 [0,2,0,1,0,0|0,0,1]=4 3407 B14R1.667 CCCCn1cc(nn1)CCC(=O)O 274090a_100000210209_100000692101 [0,2,0,1,0,0|1,0,0]=4 3408 B14R1.165 CCCCC(C)C(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_200011215066 [0,2,0,1,0,0|0,0,1]=4 3409 B14R1.420 O=C(O)CNCC(=O)C1CCCCC1 269956a_100016091260_100000241979 [0,2,0,1,0,0|0,0,1]=4 3410 B14R1.420 O=C(O)CNCC(=O)N1CCCCC1 269956a_100016091260_100000183409 [0,2,0,1,0,0|1,0,0]=4 3411 B14R1.4268 CC(C)CCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100011214892 [0,2,0,1,0,0|0,0,1]=4 3412 B14R1.4268 CC(O)CCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_200000718107 [0,2,0,1,0,0|0,0,1]=4 3413 B14R1.746 CCC(=O)[C@@H]1CC=CC[C@@H]1C(=O)OC 1458a_100015907524_100000210202 [0,2,0,1,0,0|0,0,1]=4 3414 B14R1.823 COC(=O)CCC=NNCC1CCC1 4a_200020586977_100012047195 [0,2,0,1,0,0|1,0,0]=4 3415 B14R1.7738 COC(=O)CCCC(=O)CCC1CC1 1458a_100000239890_100000694398 [0,2,0,1,0,0|0,0,1]=4 3416 B14R1.7738 COC(=O)CCCC(=O)CCC1CC1 1458a_100000756386_100011218270 [0,2,0,1,0,0|0,0,1]=4 3417 B14R1.7738 COC(=O)CCNC(=O)CCC1CC1 188690a_100000683876_100000756386 [0,2,0,1,0,0|1,0,0]=4 3418 B14R1.7759 COC(=O)CCC(=O)NCCC1CC1 1626a_100000764129_100000187943 [0,2,0,1,0,0|1,0,0]=4 3419 B14R1.7759 COC(=O)CCC(=O)NCCC1CC1 240690a_100000764129_100000187943 [0,2,0,1,0,0|1,0,0]=4 3420 B14R1.7759 COC(=O)CCC(=O)NCCC1CC1 527a_100000764129_100000187943 [0,2,0,1,0,0|1,0,0]=4 3421 B14R1.810 O=C(O)CNCC(=O)NC1CCCC1 269956a_100016091260_100000183512 [0,2,0,1,0,0|1,0,0]=4 3422 B14R1.1454 CC(=O)OCOC1C=CCCCCC1 34a_100000688657_100009813279 [0,2,0,1,0,0|1,0,0]=4 3423 B14R1.1454 NC(=O)CCOC1C=CCCCCC1 34a_100000688657_100000731001 [0,2,0,1,0,0|1,0,0]=4 3424 B14R1.19 CCCCCC(=O)C1=NNC(=O)CC1 1458a_100000183032_100000210326 [0,2,0,1,0,0|1,0,0]=4 3425 B14R1.729 COC(=O)CCCC(=O)C1CCCC1 1458a_100000210718_100011218270 [0,2,0,1,0,0|0,0,1]=4 3426 B14R1.729 COC(=O)CCCC(=O)C1CCCC1 1458a_100000239890_100000179811 [0,2,0,1,0,0|0,0,1]=4 3427 B14R1.729 COC(=O)CCNC(=O)C1CCCC1 188690a_100000683876_100000210718 [0,2,0,1,0,0|1,0,0]=4 3428 B14R1.2044 CCC1CC1C(=O)CCCC(=O)OC 1458a_200011661523_100011218270 [0,2,0,1,0,0|0,0,1]=4 3429 B14R1.2044 CCC1CC1C(=O)NCCC(=O)OC 188690a_100000683876_200011661523 [0,2,0,1,0,0|1,0,0]=4 3430 B14R1.2999 CCCCCC(=O)C1CC1C(=O)OC 1458a_100000750770_100000210326 [0,2,0,1,0,0|0,0,1]=4 3431 B14R1.2999 CCCCCC(=O)N1CC1C(=O)OC 240690a_200009830135_100000212188 [0,2,0,1,0,0|1,0,0]=4 3432 B14R1.7737 COC(=O)CCCC(=O)CC1CCC1 1458a_100000239890_100000763275 [0,2,0,1,0,0|0,0,1]=4 3433 B14R1.7737 COC(=O)CCCC(=O)CC1CCC1 1458a_100000763092_100011218270 [0,2,0,1,0,0|0,0,1]=4 3434 B14R1.7737 COC(=O)CCNC(=O)CC1CCC1 188690a_100000683876_100000763092 [0,2,0,1,0,0|1,0,0]=4 3435 B14R1.28 CCCC(C)CC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100011216630 [0,2,0,1,0,0|0,0,1]=4 3436 B14R1.799 CCCCC1C=CCN1CCC(=O)C 269982a_100015184376_100000053229 [0,2,0,1,0,0|1,0,0]=4 3437 B14R1.799 CCCCC1C=CCN1CCC(=O)N 2230a_100015184376_100000744528 [0,2,0,1,0,0|1,0,0]=4 3438 B14R1.799 CCCCC1C=CCN1CCC(=O)N 269982a_100015184376_100000744528 [0,2,0,1,0,0|1,0,0]=4 3439 B14R1.799 CCCCC1C=CCN1CCC(=O)N 34a_100015184376_100000731001 [0,2,0,1,0,0|1,0,0]=4 3440 B14R1.799 CCCCC1C=CCN1COC(=O)C 269982a_100015184376_100000076356 [0,2,0,1,0,0|1,0,0]=4 3441 B14R1.799 CCCCC1C=CCN1COC(=O)C 34a_100015184376_100009813279 [0,2,0,1,0,0|1,0,0]=4 3442 B14R1.903 CCCCN[C@@H]1CC=CC[C@H]1C(=O)N 34a_100032748912_100000210210 [0,2,0,1,0,0|1,0,0]=4 3443 B14R1.903 COCCN[C@@H]1CC=CC[C@H]1C(=O)N 34a_100032748912_100011201679 [0,2,0,1,0,0|1,0,0]=4 3444 B14R1.903 CSCCN[C@@H]1CC=CC[C@H]1C(=O)N 34a_100032748912_100000212216 [0,2,0,1,0,0|1,0,0]=4 3445 B14R1.903 NC(=O)[C@@H]1CC=CC[C@H]1NCCCF 34a_100032748912_100011934791 [0,2,0,1,0,0|1,0,0]=4 3446 B14R1.903 NC(=O)[C@@H]1CC=CC[C@H]1NCCCO 34a_100032748912_100000230001 [0,2,0,1,0,0|1,0,0]=4 3447 B14R1.229 CCCCC/C=C/COC1CCC1=O 34a_100016258190_100009892977 [0,2,0,1,0,0|1,0,0]=4 3448 B14R1.229 CCCCC/C=C/COC1CCC1=O 7a_100016258190_100009892977 [0,2,0,1,0,0|1,0,0]=4 3449 B14R1.730 COC(=O)CCC=NNC1CCCC1 4a_100000737850_100012047195 [0,2,0,1,0,0|1,0,0]=4 3450 B14R1.800 CCCCC1C=CCN1CC(=O)CC 269982a_100015184376_100000747405 [0,2,0,1,0,0|1,0,0]=4 3451 B14R1.800 CCCCC1C=CCN1CC(=O)NC 2230a_100015184376_100000183359 [0,2,0,1,0,0|1,0,0]=4 3452 B14R1.800 CCCCC1C=CCN1CC(=O)NC 269982a_100015184376_100000183359 [0,2,0,1,0,0|1,0,0]=4 3453 B14R1.800 CCCCC1C=CCN1CC(=O)NC 34a_100015184376_100000183359 [0,2,0,1,0,0|1,0,0]=4 3454 B14R1.800 CCCCC1C=CCN1CC(=O)OC 2230a_100015184376_100000747449 [0,2,0,1,0,0|0,0,0]=3 3455 B14R1.800 CCCCC1C=CCN1CC(=O)OC 269982a_100015184376_100000747449 [0,2,0,1,0,0|0,0,0]=3 3456 B14R1.800 CCCCC1C=CCN1CC(=O)OC 34a_100015184376_100000747449 [0,2,0,1,0,0|0,0,0]=3 3457 B14R1.7684 CNC(=O)COC1C=CCCCCC1 34a_100000688657_100000183359 [0,2,0,1,0,0|1,0,0]=4 3458 B14R1.7684 COC(=O)COC1C=CCCCCC1 34a_100000688657_100000747449 [0,2,0,1,0,0|0,0,0]=3 3459 B14R1.798 CCCCC1C=CCN1C(=O)C(O)O 240690a_100015184376_100000233687 [0,2,0,1,0,0|1,0,0]=4 3460 B14R1.798 CCCCC1C=CCN1C(=O)[C@@H](C)O 240690a_100015184376_100000717761 [0,2,0,1,0,0|1,0,0]=4 3461 B14R1.798 CCCCC1C=CCN1C(=O)[C@H](C)O 1626a_100015184376_217856618621 [0,2,0,1,0,0|1,0,0]=4 3462 B14R1.798 CCCCC1C=CCN1C(=O)[C@H](C)O 240690a_100015184376_217856618621 [0,2,0,1,0,0|1,0,0]=4 3463 B14R1.798 CCCCC1C=CCN1C(C)C(=O)C 2230a_100015184376_100009814033 [0,2,0,1,0,0|1,0,0]=4 3464 B14R1.798 CCCCC1C=CCN1C(C)C(=O)C 269982a_100015184376_100009814033 [0,2,0,1,0,0|1,0,0]=4 3465 B14R1.798 CCCCC1C=CCN1C(C)C(=O)N 2230a_100015184376_100000702099 [0,2,0,1,0,0|1,0,0]=4 3466 B14R1.798 CCCCC1C=CCN1C(C)C(=O)N 269982a_100015184376_100000184083 [0,2,0,1,0,0|1,0,0]=4 3467 B14R1.798 CCCCC1C=CCN1C(C)C(=O)N 34a_100015184376_100000702099 [0,2,0,1,0,0|1,0,0]=4 3468 B14R1.798 CCCCC1C=CCN1C(F)C(=O)N 2230a_100015184376_100009813875 [0,2,0,1,0,0|1,0,0]=4 3469 B14R1.798 CCCCC1C=CCN1C(F)C(=O)N 269982a_100015184376_100009813875 [0,2,0,1,0,0|1,0,0]=4 3470 B14R1.798 CCCCC1C=CCN1C(F)C(=O)N 34a_100015184376_100009813875 [0,2,0,1,0,0|1,0,0]=4 3471 B14R1.798 CCCCC1C=CCN1C(F)C(=O)[O-] 34a_100015184376_100020610796 [0,2,0,1,0,0|0,0,1]=4 3472 B14R1.10072 CC(OC1C=CCCCCC1)C(=O)N 34a_100000688657_100000702099 [0,2,0,1,0,0|1,0,0]=4 3473 B14R1.10072 NC(=O)C(F)OC1C=CCCCCC1 34a_100000688657_100009813875 [0,2,0,1,0,0|1,0,0]=4 3474 B14R1.10072 O=C([O-])C(F)OC1C=CCCCCC1 34a_100000688657_100020610796 [0,2,0,1,0,0|0,0,1]=4 3475 B14R1.4522 CC(C)CN[C@@H]1CC=CC[C@H]1C(=O)N 34a_100032748912_100000210624 [0,2,0,1,0,0|1,0,0]=4 3476 B14R1.4522 CC(O)CN[C@@H]1CC=CC[C@H]1C(=O)N 34a_100032748912_100011218427 [0,2,0,1,0,0|1,0,0]=4 3477 B14R1.4522 C[C@@H](O)CN[C@@H]1CC=CC[C@H]1C(=O)N 34a_100032748912_100009817552 [0,2,0,1,0,0|1,0,0]=4 3478 B14R1.3302 CCC(C)N[C@@H]1CC=CC[C@H]1C(=O)N 34a_100032748912_100011215416 [0,2,0,1,0,0|1,0,0]=4 3479 B14R1.635 CCCCC1C=CCN1C(=O)CCO 240690a_100015184376_100011216618 [0,2,0,1,0,0|1,0,0]=4 3480 B14R1.635 CCCCC1C=CCN1C(=O)COC 11a_100015184376_100000210968 [0,2,0,1,0,0|1,0,0]=4 3481 B14R1.635 CCCCC1C=CCN1C(=O)COC 1626a_100015184376_100000210968 [0,2,0,1,0,0|1,0,0]=4 3482 B14R1.635 CCCCC1C=CCN1C(=O)COC 240690a_100015184376_100000210968 [0,2,0,1,0,0|1,0,0]=4 3483 B14R1.635 CCCCC1C=CCN1C(=O)COC 527a_100015184376_100000210968 [0,2,0,1,0,0|1,0,0]=4 3484 B14R1.163 COC(=O)CCC(=O)C1CCCCC1 1458a_100000187943_100000210327 [0,2,0,1,0,0|0,0,1]=4 3485 B14R1.163 O=C(CO)CCC(=O)N1CCCCC1 1458a_100000210174_100102558178 [0,2,0,1,0,0|1,0,0]=4 3486 B14R1.731 COC(=O)CCC(=O)CC1CCCC1 1458a_100000187943_100000740388 [0,2,0,1,0,0|0,0,1]=4 3487 B14R1.731 COC(=O)CCC(=O)NC1CCCC1 11a_100000211070_100000187943 [0,2,0,1,0,0|1,0,0]=4 3488 B14R1.731 COC(=O)CCC(=O)NC1CCCC1 1626a_100000211070_100000187943 [0,2,0,1,0,0|1,0,0]=4 3489 B14R1.731 COC(=O)CCC(=O)NC1CCCC1 240690a_100000211070_100000187943 [0,2,0,1,0,0|1,0,0]=4 3490 B14R1.731 COC(=O)CCC(=O)NC1CCCC1 527a_100000211070_100000187943 [0,2,0,1,0,0|1,0,0]=4 3491 B14R1.731 O=C(CO)CCC(=O)NC1CCCC1 1458a_100000210174_100000743710 [0,2,0,1,0,0|1,0,0]=4 3492 B14R1.4461 COC(=O)CCC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000187943 [0,2,0,1,0,0|1,0,0]=4 3493 B14R1.4461 COC(=O)CCC(=O)N1CCC[C@@H]1C 527a_100020605311_100000187943 [0,2,0,1,0,0|1,0,0]=4 3494 B14R1.4461 COC(=O)CCC(=O)N1CCC[C@H]1C 11a_100015189458_100000187943 [0,2,0,1,0,0|1,0,0]=4 3495 B14R1.4461 COC(=O)CCC(=O)N1CCC[C@H]1C 240690a_100015189458_100000187943 [0,2,0,1,0,0|1,0,0]=4 3496 B14R1.4461 COC(=O)CCC(=O)N1CCC[C@H]1C 527a_100015189458_100000187943 [0,2,0,1,0,0|1,0,0]=4 3497 B14R1.7758 COC(=O)CCC(=O)NCC1CCC1 11a_100000738700_100000187943 [0,2,0,1,0,0|1,0,0]=4 3498 B14R1.7758 COC(=O)CCC(=O)NCC1CCC1 1626a_100000738700_100000187943 [0,2,0,1,0,0|1,0,0]=4 3499 B14R1.7758 COC(=O)CCC(=O)NCC1CCC1 240690a_100000738700_100000187943 [0,2,0,1,0,0|1,0,0]=4 3500 B14R1.7758 COC(=O)CCC(=O)NCC1CCC1 527a_100000738700_100000187943 [0,2,0,1,0,0|1,0,0]=4 3501 B14R2.255 O=C1CC[C@H](O1)C(=O)C2CCCC2 1458a_100009814974_100000179811 [0,1,0,2,0,0|0,0,1]=4 3502 B14R2.4396 O=C1CC[C@H](O1)C(=O)CCC2CC2 1458a_100009814974_100000694398 [0,1,0,2,0,0|0,0,1]=4 3503 B14R2.20661 O=C1CC[C@H](O1)C(=O)CC2CCC2 1458a_100009814974_100000763275 [0,1,0,2,0,0|0,0,1]=4 3504 B14R2.9513 NC(=O)[C@@H]1CC=CC[C@H]1NC2CC2 34a_100032748912_100000211595 [0,1,0,2,0,0|1,0,0]=4