0 B12R0.42 C=C(C)C(=O)CCCCCB(O)O 1458a_100000185857_200009817188 [0,0,0,0,0,0|2,0,2]=4 1 B12R0.42 C=C(C)C(=O)CCCCCC(=O)N 1458a_100000185857_100009817443 [0,0,0,0,0,0|2,0,1]=3 2 B12R0.42 C=C(C)C(=O)CCCCOC(=O)C 1458a_100000185857_100000033659 [0,0,0,0,0,0|3,0,1]=4 3 B12R0.42 C=C(C)C(=O)CCCCSC(=O)C 1458a_100000185857_200010402107 [0,0,0,0,0,0|3,0,1]=4 4 B12R0.42 C=C(C)C(=O)NCCCCC(=O)N 11a_100000696515_100000185857 [0,0,0,0,0,0|3,0,1]=4 5 B12R0.42 C=C(C)C(=O)NCCCCC(=O)N 1626a_100000696515_100000185857 [0,0,0,0,0,0|3,0,1]=4 6 B12R0.42 CC(=O)C(=O)CNCCCC(=O)N 34a_100000739312_100011261029 [0,0,0,0,0,0|3,0,1]=4 7 B12R0.42 CC(=O)C(=O)CSCCCC(=O)N 62a_100011261029_100102525003 [0,0,0,0,0,0|3,0,1]=4 8 B12R0.42 CC(=O)C(=O)CSCCCC(=O)N 62a_100102525003_100011261029 [0,0,0,0,0,0|3,0,1]=4 9 B12R0.42 CC(=O)CCCOCC(=O)C(=O)C 34a_100000759063_100011261029 [0,0,0,0,0,0|3,0,1]=4 10 B12R0.42 CC(=O)CCCOCC(=O)C(C)C 34a_100000759063_100000753385 [0,0,0,0,0,0|3,0,0]=3 11 B12R0.42 CC(=O)CCCOCC(=O)C(C)C 7a_100000759063_100000753385 [0,0,0,0,0,0|3,0,0]=3 12 B12R0.42 CC(=O)CCCOCC(=O)N(C)C 34a_100000759063_100000692301 [0,0,0,0,0,0|4,0,0]=4 13 B12R0.42 CC(=O)CCCOCC(=O)N(C)C 7a_100000759063_100000692301 [0,0,0,0,0,0|4,0,0]=4 14 B12R0.42 CC(=O)CCCSCC(=O)C(=O)C 62a_100011215641_100011261029 [0,0,0,0,0,0|3,0,1]=4 15 B12R0.42 CC(=O)CCCSCC(=O)C(=O)C 62a_100011261029_100011215641 [0,0,0,0,0,0|3,0,1]=4 16 B12R0.42 CC(=O)CCCSCC(=O)C(C)C 62a_100000753385_100011215641 [0,0,0,0,0,0|3,0,0]=3 17 B12R0.42 CC(=O)CCCSCC(=O)C(C)C 62a_100011215641_100000753385 [0,0,0,0,0,0|3,0,0]=3 18 B12R0.42 CC(=O)CCCSCC(=O)N(C)C 62a_100000692301_100011215641 [0,0,0,0,0,0|4,0,0]=4 19 B12R0.42 CC(=O)CCCSCC(=O)N(C)C 62a_100011215641_100000692301 [0,0,0,0,0,0|4,0,0]=4 20 B12R0.42 CC(=O)CCOCCC(=O)N(C)C 7a_100000759926_100000737620 [0,0,0,0,0,0|4,0,0]=4 21 B12R0.42 CC(=O)CCSCCC(=O)N(C)C 62a_100000053229_100000737620 [0,0,0,0,0,0|4,0,0]=4 22 B12R0.42 CC(=O)CCSCCC(=O)N(C)C 62a_100000737620_100000053229 [0,0,0,0,0,0|4,0,0]=4 23 B12R0.42 CC(=O)CCSCOC(=O)C(C)C 62a_100000053229_100000139345 [0,0,0,0,0,0|4,0,0]=4 24 B12R0.42 CC(=O)CCSCOC(=O)C(C)C 62a_100000139345_100000053229 [0,0,0,0,0,0|4,0,0]=4 25 B12R0.42 CC(=O)NCCCNC(=O)C(C)C 11a_100000736810_100000210198 [0,0,0,0,0,0|4,0,0]=4 26 B12R0.42 CC(=O)NCCCNC(=O)C(C)C 240690a_100000736810_100000210198 [0,0,0,0,0,0|4,0,0]=4 27 B12R0.42 CC(=O)NCCCNC(=O)C(C)C 527a_100000736810_100000210198 [0,0,0,0,0,0|4,0,0]=4 28 B12R0.42 CC(=O)NCCCNC(=O)C(C)F 11a_100000736810_100000062450 [0,0,0,0,0,0|4,0,0]=4 29 B12R0.42 CC(=O)NCCCNC(=O)C(C)F 240690a_100000736810_100000062450 [0,0,0,0,0,0|4,0,0]=4 30 B12R0.42 CC(=O)NCCCNC(=O)C(C)F 527a_100000736810_100000062450 [0,0,0,0,0,0|4,0,0]=4 31 B12R0.42 CC(=O)NCCCNC(=O)[C@@H](C)O 240690a_100000736810_100000717761 [0,0,0,0,0,0|4,0,0]=4 32 B12R0.42 CC(=O)NCCCNC(=O)[C@H](C)O 240690a_100000736810_217856618621 [0,0,0,0,0,0|4,0,0]=4 33 B12R0.42 CC(=O)NCCNCC(=O)C(C)C 2230a_100000209853_100000753385 [0,0,0,0,0,0|4,0,0]=4 34 B12R0.42 CC(=O)NCCOCC(=O)C(C)C 34a_100000158858_100000753385 [0,0,0,0,0,0|4,0,0]=4 35 B12R0.42 CC(=O)NCCSCC(=O)C(C)C 62a_100000189650_100000753385 [0,0,0,0,0,0|4,0,0]=4 36 B12R0.42 CC(=O)NCCSCC(=O)C(C)C 62a_100000753385_100000189650 [0,0,0,0,0,0|4,0,0]=4 37 B12R0.42 CC(=O)OCCCCC(=O)C(C)C 1458a_100000210198_100000033659 [0,0,0,0,0,0|3,0,0]=3 38 B12R0.42 CC(=O)OCCCCC(=O)C(C)F 1458a_100000062450_100000033659 [0,0,0,0,0,0|3,0,0]=3 39 B12R0.42 CC(=O)OCCCCC(=O)C(O)O 1458a_100000233687_100000033659 [0,0,0,0,0,0|4,0,0]=4 40 B12R0.42 CC(=O)OCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000033659 [0,0,0,0,0,0|3,0,0]=3 41 B12R0.42 CC(=O)OCCCCC(=O)[C@H](C)O 1458a_217856618621_100000033659 [0,0,0,0,0,0|3,0,0]=3 42 B12R0.42 CC(=O)OCCSCC(=O)C(C)C 62a_100000753385_100009814007 [0,0,0,0,0,0|4,0,0]=4 43 B12R0.42 CC(=O)OCCSCC(=O)C(C)C 62a_100009814007_100000753385 [0,0,0,0,0,0|4,0,0]=4 44 B12R0.42 CC(=O)SCCCCC(=O)C(C)C 1458a_100000210198_200010402107 [0,0,0,0,0,0|3,0,0]=3 45 B12R0.42 CC(=O)SCCCCC(=O)C(C)F 1458a_100000062450_200010402107 [0,0,0,0,0,0|3,0,0]=3 46 B12R0.42 CC(=O)SCCCCC(=O)C(O)O 1458a_100000233687_200010402107 [0,0,0,0,0,0|4,0,0]=4 47 B12R0.42 CC(=O)SCCCCC(=O)[C@@H](C)O 1458a_100000717761_200010402107 [0,0,0,0,0,0|3,0,0]=3 48 B12R0.42 CC(=O)SCCCCC(=O)[C@H](C)O 1458a_217856618621_200010402107 [0,0,0,0,0,0|3,0,0]=3 49 B12R0.42 CC(C)C(=O)CCCCCB(O)O 1458a_100000210198_200009817188 [0,0,0,0,0,0|2,0,1]=3 50 B12R0.42 CC(C)C(=O)CCCCCC(=O)N 1458a_100000210198_100009817443 [0,0,0,0,0,0|2,0,0]=2 51 B12R0.42 CC(C)C(=O)CCCCC[N+](=O)[O-] 1458a_100000043470_100000210206 [0,0,0,0,0,0|2,0,1]=3 52 B12R0.42 CC(C)C(=O)CCCCO[N+](=O)[O-] 1458a_100000210198_100015694321 [0,0,0,0,0,0|3,0,1]=4 53 B12R0.42 CC(C)C(=O)CNCCCC(=O)N 34a_100000739312_100000753385 [0,0,0,0,0,0|3,0,0]=3 54 B12R0.42 CC(C)C(=O)CNCCCS(=O)C 2230a_200000753449_100000753385 [0,0,0,0,0,0|4,0,0]=4 55 B12R0.42 CC(C)C(=O)CNCCNC(=O)N 34a_100020590234_100000753385 [0,0,0,0,0,0|4,0,0]=4 56 B12R0.42 CC(C)C(=O)COCCC[N+](=O)[O-] 34a_200000037920_100000753385 [0,0,0,0,0,0|3,0,1]=4 57 B12R0.42 CC(C)C(=O)COCCNC(=O)N 34a_100000181757_100000753385 [0,0,0,0,0,0|4,0,0]=4 58 B12R0.42 CC(C)C(=O)COCCOC(=O)N 7a_100000766696_100000753385 [0,0,0,0,0,0|4,0,0]=4 59 B12R0.42 CC(C)C(=O)CSCCCC(=O)N 62a_100000753385_100102525003 [0,0,0,0,0,0|3,0,0]=3 60 B12R0.42 CC(C)C(=O)CSCCCC(=O)N 62a_100102525003_100000753385 [0,0,0,0,0,0|3,0,0]=3 61 B12R0.42 CC(C)C(=O)CSCCNC(=O)N 62a_100000753385_200000034859 [0,0,0,0,0,0|4,0,0]=4 62 B12R0.42 CC(C)C(=O)CSCCNC(=O)N 62a_200000034859_100000753385 [0,0,0,0,0,0|4,0,0]=4 63 B12R0.42 CC(C)C(=O)CSCCOC(=O)N 62a_100000753385_200011214921 [0,0,0,0,0,0|4,0,0]=4 64 B12R0.42 CC(C)C(=O)CSCCOC(=O)N 62a_200011214921_100000753385 [0,0,0,0,0,0|4,0,0]=4 65 B12R0.42 CC(C)C(=O)NCCCCC(=O)N 11a_100000696515_100000210198 [0,0,0,0,0,0|3,0,0]=3 66 B12R0.42 CC(C)C(=O)NCCCCC(=O)N 1626a_100000696515_100000210198 [0,0,0,0,0,0|3,0,0]=3 67 B12R0.42 CC(C)C(=O)NCCCCC(=O)N 240690a_100000696515_100000210198 [0,0,0,0,0,0|3,0,0]=3 68 B12R0.42 CC(C)C(=O)NCCCCC(=O)N 527a_100000696515_100000210198 [0,0,0,0,0,0|3,0,0]=3 69 B12R0.42 CC(C)C(=O)NCCNCC(=O)N 2230a_100000752568_100000747473 [0,0,0,0,0,0|4,0,0]=4 70 B12R0.42 CC(C)C(=O)NCCNCC(=O)N 34a_100000752568_100000187820 [0,0,0,0,0,0|4,0,0]=4 71 B12R0.42 CC(C)C(=O)NCCNCC(=O)[O-] 34a_100000752568_100020667443 [0,0,0,0,0,0|3,0,1]=4 72 B12R0.42 CC(C)C(=O)OCSCCC(=O)N 62a_100000139345_100000744528 [0,0,0,0,0,0|4,0,0]=4 73 B12R0.42 CC(C)C(=O)OCSCCC(=O)N 62a_100000744528_100000139345 [0,0,0,0,0,0|4,0,0]=4 74 B12R0.42 CC(C)CCCCCC(=O)C(C)C 1458a_100000210198_100000210682 [0,0,0,0,0,0|3,0,1]=4 75 B12R0.42 CC(C)CCCCCC(=O)C(C)C 1458a_100000766313_100000210206 [0,0,0,0,0,0|3,0,1]=4 76 B12R0.42 CC(C)CCCCCC(=O)C(C)F 1458a_100000062450_100000210682 [0,0,0,0,0,0|3,0,1]=4 77 B12R0.42 CC(C)CCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210682 [0,0,0,0,0,0|3,0,1]=4 78 B12R0.42 CC(C)CCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210682 [0,0,0,0,0,0|3,0,1]=4 79 B12R0.42 CC(C)N(C)CCCCCC(=O)N 269982a_200000211004_100009817443 [0,0,0,0,0,0|4,0,0]=4 80 B12R0.42 CC(F)C(=O)CCCCCB(O)O 1458a_100000062450_200009817188 [0,0,0,0,0,0|2,0,1]=3 81 B12R0.42 CC(F)C(=O)CCCCCC(=O)N 1458a_100000062450_100009817443 [0,0,0,0,0,0|2,0,0]=2 82 B12R0.42 CC(F)C(=O)CCCCO[N+](=O)[O-] 1458a_100000062450_100015694321 [0,0,0,0,0,0|3,0,1]=4 83 B12R0.42 CC(F)C(=O)NCCCCC(=O)N 11a_100000696515_100000062450 [0,0,0,0,0,0|3,0,0]=3 84 B12R0.42 CC(F)C(=O)NCCCCC(=O)N 1626a_100000696515_100000062450 [0,0,0,0,0,0|3,0,0]=3 85 B12R0.42 CC(F)C(=O)NCCCCC(=O)N 240690a_100000696515_100000062450 [0,0,0,0,0,0|3,0,0]=3 86 B12R0.42 CC(F)C(=O)NCCCCC(=O)N 527a_100000696515_100000062450 [0,0,0,0,0,0|3,0,0]=3 87 B12R0.42 CC(O)CCCSCC(=O)C(C)C 62a_100000753385_200000718107 [0,0,0,0,0,0|3,0,1]=4 88 B12R0.42 CC(O)CCCSCC(=O)C(C)C 62a_200000718107_100000753385 [0,0,0,0,0,0|3,0,1]=4 89 B12R0.42 CN(C)C(=O)CCCCC[N+](=O)[O-] 11a_100102631434_100000043470 [0,0,0,0,0,0|3,0,1]=4 90 B12R0.42 CN(C)C(=O)CCCCC[N+](=O)[O-] 1626a_100102631434_100000043470 [0,0,0,0,0,0|3,0,1]=4 91 B12R0.42 CN(C)C(=O)CCCCC[N+](=O)[O-] 240690a_100102631434_100000043470 [0,0,0,0,0,0|3,0,1]=4 92 B12R0.42 CN(C)C(=O)CCCCC[N+](=O)[O-] 527a_100102631434_100000043470 [0,0,0,0,0,0|3,0,1]=4 93 B12R0.42 CN(C)C(=O)CCCNCC(=O)N 2230a_100000711301_100000737642 [0,0,0,0,0,0|4,0,0]=4 94 B12R0.42 CN(C)C(=O)CCCNCC(=O)N 2230a_200000744827_100000747473 [0,0,0,0,0,0|4,0,0]=4 95 B12R0.42 CN(C)C(=O)CCCNCC(=O)O 269956a_100016091260_100000737642 [0,0,0,0,0,0|3,0,0]=3 96 B12R0.42 CN(C)C(=O)CCCSCC(=O)N 62a_100000737642_100000747473 [0,0,0,0,0,0|4,0,0]=4 97 B12R0.42 CN(C)C(=O)CCCSCC(=O)N 62a_100000747473_100000737642 [0,0,0,0,0,0|4,0,0]=4 98 B12R0.42 CN(C)C(=O)CCCSCC(=O)[O-] 62a_100000737642_100020667443 [0,0,0,0,0,0|3,0,1]=4 99 B12R0.42 CN(C)C(=O)CCCSCC(=O)[O-] 62a_100020667443_100000737642 [0,0,0,0,0,0|3,0,1]=4 100 B12R0.42 CN(C)C(=O)CCNCCC(=O)N 2230a_100000738053_100000744528 [0,0,0,0,0,0|4,0,0]=4 101 B12R0.42 CN(C)C(=O)CCNOCC(=O)O 269956a_100000106656_100000737620 [0,0,0,0,0,0|4,0,0]=4 102 B12R0.42 CN(C)C(=O)CCOCCC(=O)N 34a_200000747469_100000731001 [0,0,0,0,0,0|4,0,0]=4 103 B12R0.42 CN(C)C(=O)CCOCCC(=O)N 7a_100000757172_100000737620 [0,0,0,0,0,0|4,0,0]=4 104 B12R0.42 CN(C)C(=O)CCSCCC(=O)N 62a_100000737620_100000744528 [0,0,0,0,0,0|4,0,0]=4 105 B12R0.42 CN(C)C(=O)CCSCCC(=O)N 62a_100000744528_100000737620 [0,0,0,0,0,0|4,0,0]=4 106 B12R0.42 CN(C)C(=O)CNCCCC(=O)N 34a_100000739312_100000692301 [0,0,0,0,0,0|4,0,0]=4 107 B12R0.42 CN(C)C(=O)CSCCCC(=O)N 62a_100000692301_100102525003 [0,0,0,0,0,0|4,0,0]=4 108 B12R0.42 CN(C)C(=O)CSCCCC(=O)N 62a_100102525003_100000692301 [0,0,0,0,0,0|4,0,0]=4 109 B12R0.42 C[C@@H](O)C(=O)CCCCCB(O)O 1458a_100000717761_200009817188 [0,0,0,0,0,0|2,0,1]=3 110 B12R0.42 C[C@@H](O)C(=O)CCCCCC(=O)N 1458a_100000717761_100009817443 [0,0,0,0,0,0|2,0,0]=2 111 B12R0.42 C[C@@H](O)C(=O)CCCCO[N+](=O)[O-] 1458a_100000717761_100015694321 [0,0,0,0,0,0|3,0,1]=4 112 B12R0.42 C[C@@H](O)C(=O)NCCCCC(=O)N 240690a_100000696515_100000717761 [0,0,0,0,0,0|3,0,0]=3 113 B12R0.42 C[C@H](O)C(=O)CCCCCB(O)O 1458a_217856618621_200009817188 [0,0,0,0,0,0|2,0,1]=3 114 B12R0.42 C[C@H](O)C(=O)CCCCCC(=O)N 1458a_217856618621_100009817443 [0,0,0,0,0,0|2,0,0]=2 115 B12R0.42 C[C@H](O)C(=O)CCCCO[N+](=O)[O-] 1458a_217856618621_100015694321 [0,0,0,0,0,0|3,0,1]=4 116 B12R0.42 C[C@H](O)C(=O)NCCCCC(=O)N 1626a_100000696515_217856618621 [0,0,0,0,0,0|3,0,0]=3 117 B12R0.42 C[C@H](O)C(=O)NCCCCC(=O)N 240690a_100000696515_217856618621 [0,0,0,0,0,0|3,0,0]=3 118 B12R0.42 NC(=O)CCCCCC(=O)C(O)O 1458a_100000233687_100009817443 [0,0,0,0,0,0|3,0,0]=3 119 B12R0.42 NC(=O)CCCCNC(=O)C(=O)N 240690a_100000696515_100011215815 [0,0,0,0,0,0|3,0,1]=4 120 B12R0.42 NC(=O)CCCCNC(=O)C(F)F 11a_100000696515_100000210393 [0,0,0,0,0,0|4,0,0]=4 121 B12R0.42 NC(=O)CCCCNC(=O)C(F)F 1626a_100000696515_100000210393 [0,0,0,0,0,0|4,0,0]=4 122 B12R0.42 NC(=O)CCCCNC(=O)C(F)F 240690a_100000696515_100000210393 [0,0,0,0,0,0|4,0,0]=4 123 B12R0.42 NC(=O)CCCCNC(=O)C(F)F 527a_100000696515_100000210393 [0,0,0,0,0,0|4,0,0]=4 124 B12R0.42 NC(=O)CCCCNC(=O)C(O)O 240690a_100000696515_100000233687 [0,0,0,0,0,0|4,0,0]=4 125 B12R0.42 O=C(CCCCCB(O)O)C(O)O 1458a_100000233687_200009817188 [0,0,0,0,0,0|3,0,1]=4 126 B11R0.30 CC(=O)CCCC/C=C/C(C)C 1458a_200016995844_200000210301 [1,0,0,0,0,0|2,0,1]=4 127 B11R0.30 CC(=O)CCCCCCC(C)C 1458a_100000040743_200000210301 [1,0,0,0,0,0|2,0,1]=4 128 B11R0.30 CC(=O)CCCCOC[C@@H](C)N 34a_100000737577_100009817362 [1,0,0,0,0,0|2,0,1]=4 129 B11R0.30 CC(=O)CCCOCC[C@@H](C)N 34a_100000706166_100000685027 [1,0,0,0,0,0|2,0,1]=4 130 B11R0.30 CC(C)/C=C/CCCCC(=O)[13CH3] 1458a_200016995844_200025704644 [1,0,0,0,0,0|2,0,1]=4 131 B11R0.30 CC(C)CCCCCCC(=O)[13CH3] 1458a_100000040743_200025704644 [1,0,0,0,0,0|2,0,1]=4 132 B11R0.30 CC(C)CCCCNCC(=O)O 269956a_100016091260_100011216152 [1,0,0,0,0,0|2,0,1]=4 133 B11R0.30 CC(C)NCCCCCC(=O)N 2230a_100138425928_100009817443 [1,0,0,0,0,0|3,0,0]=4 134 B11R0.30 CC(C)NCCCCCC(=O)N 34a_100138425928_100009817443 [1,0,0,0,0,0|3,0,0]=4 135 B11R0.30 CC(C)OCCCCCC(=O)N 34a_100000123541_100000210206 [1,0,0,0,0,0|3,0,0]=4 136 B11R0.30 CC(C)OCCCCCC(=O)N 34a_100000212225_100009817443 [1,0,0,0,0,0|3,0,0]=4 137 B11R0.30 CC(C)OCCCCCC(=O)N 7a_100000123541_100000210206 [1,0,0,0,0,0|3,0,0]=4 138 B11R0.30 CC(C)OCCCCCC(=O)[O-] 7a_100102619762_100000210206 [1,0,0,0,0,0|2,0,1]=4 139 B11R0.30 CC(C)SCCCCCC(=O)N 62a_100000210206_100009817443 [1,0,0,0,0,0|3,0,0]=4 140 B11R0.30 CC(C)SCCCCCC(=O)N 62a_100009817443_100000210206 [1,0,0,0,0,0|3,0,0]=4 141 B11R0.30 C[C@@H](N)CCOCCCC(=O)N 34a_100000706166_100102525003 [1,0,0,0,0,0|2,0,1]=4 142 B11R0.42 C#CCCCCCC(=O)C(C)C 1458a_100000210198_100012094781 [1,0,0,0,0,0|2,0,1]=4 143 B11R0.42 C#CCCCCCC(=O)C(C)C 1458a_100000694772_100000210206 [1,0,0,0,0,0|2,0,1]=4 144 B11R0.42 C#CCCCCCC(=O)C(C)F 1458a_100000062450_100012094781 [1,0,0,0,0,0|2,0,1]=4 145 B11R0.42 C#CCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100012094781 [1,0,0,0,0,0|2,0,1]=4 146 B11R0.42 C#CCCCCCC(=O)[C@H](C)O 1458a_217856618621_100012094781 [1,0,0,0,0,0|2,0,1]=4 147 B11R0.42 C=C(C)C(=O)CCCCCCO 1458a_100000185857_100000766143 [1,0,0,0,0,0|1,0,2]=4 148 B11R0.42 C=CCCCCCC(=O)C(=C)C 1458a_100000185857_100000700193 [1,0,0,0,0,0|2,0,1]=4 149 B11R0.42 C=CCCCCCC(=O)C(C)C 1458a_100000210198_100000700193 [1,0,0,0,0,0|2,0,0]=3 150 B11R0.42 C=CCCCCCC(=O)C(C)C 1458a_100011934241_100000210206 [1,0,0,0,0,0|2,0,0]=3 151 B11R0.42 C=CCCCCCC(=O)C(C)F 1458a_100000062450_100000700193 [1,0,0,0,0,0|2,0,0]=3 152 B11R0.42 C=CCCCCCC(=O)C(O)O 1458a_100000233687_100000700193 [1,0,0,0,0,0|3,0,0]=4 153 B11R0.42 C=CCCCCCC(=O)N(C)C 11a_100102631434_100011934241 [1,0,0,0,0,0|3,0,0]=4 154 B11R0.42 C=CCCCCCC(=O)N(C)C 1626a_100102631434_100011934241 [1,0,0,0,0,0|3,0,0]=4 155 B11R0.42 C=CCCCCCC(=O)N(C)C 240690a_100102631434_100011934241 [1,0,0,0,0,0|3,0,0]=4 156 B11R0.42 C=CCCCCCC(=O)N(C)C 527a_100102631434_100011934241 [1,0,0,0,0,0|3,0,0]=4 157 B11R0.42 C=CCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000700193 [1,0,0,0,0,0|2,0,0]=3 158 B11R0.42 C=CCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000700193 [1,0,0,0,0,0|2,0,0]=3 159 B11R0.42 C=CCCCCNC(=O)C(C)C 11a_100000703577_100000210198 [1,0,0,0,0,0|3,0,0]=4 160 B11R0.42 C=CCCCCNC(=O)C(C)C 1626a_100000703577_100000210198 [1,0,0,0,0,0|3,0,0]=4 161 B11R0.42 C=CCCCCNC(=O)C(C)C 240690a_100000703577_100000210198 [1,0,0,0,0,0|3,0,0]=4 162 B11R0.42 C=CCCCCNC(=O)C(C)C 527a_100000703577_100000210198 [1,0,0,0,0,0|3,0,0]=4 163 B11R0.42 C=CCCCCNC(=O)C(C)F 11a_100000703577_100000062450 [1,0,0,0,0,0|3,0,0]=4 164 B11R0.42 C=CCCCCNC(=O)C(C)F 1626a_100000703577_100000062450 [1,0,0,0,0,0|3,0,0]=4 165 B11R0.42 C=CCCCCNC(=O)C(C)F 240690a_100000703577_100000062450 [1,0,0,0,0,0|3,0,0]=4 166 B11R0.42 C=CCCCCNC(=O)C(C)F 527a_100000703577_100000062450 [1,0,0,0,0,0|3,0,0]=4 167 B11R0.42 C=CCCCCNC(=O)[C@@H](C)O 240690a_100000703577_100000717761 [1,0,0,0,0,0|3,0,0]=4 168 B11R0.42 C=CCCCCNC(=O)[C@H](C)O 1626a_100000703577_217856618621 [1,0,0,0,0,0|3,0,0]=4 169 B11R0.42 C=CCCCCNC(=O)[C@H](C)O 240690a_100000703577_217856618621 [1,0,0,0,0,0|3,0,0]=4 170 B11R0.42 C=CCCCNCC(=O)C(C)C 2230a_100000700776_100000753385 [1,0,0,0,0,0|3,0,0]=4 171 B11R0.42 C=CCCCNCC(=O)C(C)C 34a_100000700776_100000753385 [1,0,0,0,0,0|3,0,0]=4 172 B11R0.42 C=CCCCOCC(=O)C(C)C 34a_100000758997_100000753385 [1,0,0,0,0,0|3,0,0]=4 173 B11R0.42 C=CCCCOCC(=O)C(C)C 7a_100000758997_100000753385 [1,0,0,0,0,0|3,0,0]=4 174 B11R0.42 C=CCCCSCC(=O)C(C)C 62a_100000753385_100000757094 [1,0,0,0,0,0|3,0,0]=4 175 B11R0.42 C=CCCCSCC(=O)C(C)C 62a_100011713584_100000753385 [1,0,0,0,0,0|3,0,0]=4 176 B11R0.42 CC(=O)C(=O)CSCCCC=O 62a_100011261029_200011292268 [1,0,0,0,0,0|2,0,1]=4 177 B11R0.42 CC(=O)C(=O)CSCCCC=O 62a_200011292268_100011261029 [1,0,0,0,0,0|2,0,1]=4 178 B11R0.42 CC(C)C(=O)CCCCCC#N 1458a_100000210198_100009813376 [1,0,0,0,0,0|2,0,1]=4 179 B11R0.42 CC(C)C(=O)CCCCCCF 1458a_100000210198_100015922095 [1,0,0,0,0,0|2,0,1]=4 180 B11R0.42 CC(C)C(=O)CCCCCCO 1458a_100000210198_100000766143 [1,0,0,0,0,0|1,0,1]=3 181 B11R0.42 CC(C)C(=O)CCCCCCO 1458a_100011996774_100000210206 [1,0,0,0,0,0|1,0,1]=3 182 B11R0.42 CC(C)C(=O)CNCCCCO 2230a_100000750430_100000753385 [1,0,0,0,0,0|2,0,1]=4 183 B11R0.42 CC(C)C(=O)CNCCCCO 34a_100000750430_100000753385 [1,0,0,0,0,0|2,0,1]=4 184 B11R0.42 CC(C)C(=O)CSCCCC=O 62a_100000753385_200011292268 [1,0,0,0,0,0|2,0,0]=3 185 B11R0.42 CC(C)C(=O)CSCCCC=O 62a_200011292268_100000753385 [1,0,0,0,0,0|2,0,0]=3 186 B11R0.42 CC(C)C(=O)CSCCCCO 62a_100000210776_100000753385 [1,0,0,0,0,0|2,0,1]=4 187 B11R0.42 CC(C)C(=O)CSCCCCO 62a_100000753385_100000210776 [1,0,0,0,0,0|2,0,1]=4 188 B11R0.42 CC(C)C(=O)NCCCCCO 240690a_100000762737_100000210198 [1,0,0,0,0,0|2,0,1]=4 189 B11R0.42 CC(C)C(=O)NCCNCC=O 2230a_100000752568_200015260668 [1,0,0,0,0,0|3,0,0]=4 190 B11R0.42 CC(C)C(=O)NCCNCC=O 34a_100000752568_200009817547 [1,0,0,0,0,0|3,0,0]=4 191 B11R0.42 CC(C)N(C)CCCCCC=O 269982a_200000211004_100000139337 [1,0,0,0,0,0|3,0,0]=4 192 B11R0.42 CC(F)C(=O)CCCCCC#N 1458a_100000062450_100009813376 [1,0,0,0,0,0|2,0,1]=4 193 B11R0.42 CC(F)C(=O)CCCCCCF 1458a_100000062450_100015922095 [1,0,0,0,0,0|2,0,1]=4 194 B11R0.42 CC(F)C(=O)CCCCCCO 1458a_100000062450_100000766143 [1,0,0,0,0,0|1,0,1]=3 195 B11R0.42 CC(F)C(=O)NCCCCCO 240690a_100000762737_100000062450 [1,0,0,0,0,0|2,0,1]=4 196 B11R0.42 CCCCCCCC(=O)C(C)C 1458a_100000210198_100000210614 [1,0,0,0,0,0|2,0,1]=4 197 B11R0.42 CCCCCCCC(=O)C(C)C 1458a_100000211969_100000210206 [1,0,0,0,0,0|2,0,1]=4 198 B11R0.42 CCCCCCCC(=O)C(C)F 1458a_100000062450_100000210614 [1,0,0,0,0,0|2,0,1]=4 199 B11R0.42 CCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210614 [1,0,0,0,0,0|2,0,1]=4 200 B11R0.42 CCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210614 [1,0,0,0,0,0|2,0,1]=4 201 B11R0.42 CN(C)C(=O)CCCCCCO 240690a_100102631434_100011996774 [1,0,0,0,0,0|2,0,1]=4 202 B11R0.42 CN(C)C(=O)CCCNCC=O 2230a_200000744827_200015260668 [1,0,0,0,0,0|3,0,0]=4 203 B11R0.42 CN(C)C(=O)CCCSCC=O 62a_100000737642_200015260668 [1,0,0,0,0,0|3,0,0]=4 204 B11R0.42 CN(C)C(=O)CCCSCC=O 62a_200015260668_100000737642 [1,0,0,0,0,0|3,0,0]=4 205 B11R0.42 CN(C)C(=O)CNCCCC=O 2230a_100015183351_200011292268 [1,0,0,0,0,0|3,0,0]=4 206 B11R0.42 CN(C)C(=O)CSCCCC=O 62a_100000692301_200011292268 [1,0,0,0,0,0|3,0,0]=4 207 B11R0.42 CN(C)C(=O)CSCCCC=O 62a_200011292268_100000692301 [1,0,0,0,0,0|3,0,0]=4 208 B11R0.42 COCCCCCC(=O)C(C)C 1458a_100011935119_100000210206 [1,0,0,0,0,0|3,0,0]=4 209 B11R0.42 C[C@@H](O)C(=O)CCCCCC#N 1458a_100000717761_100009813376 [1,0,0,0,0,0|2,0,1]=4 210 B11R0.42 C[C@@H](O)C(=O)CCCCCCF 1458a_100000717761_100015922095 [1,0,0,0,0,0|2,0,1]=4 211 B11R0.42 C[C@@H](O)C(=O)CCCCCCO 1458a_100000717761_100000766143 [1,0,0,0,0,0|1,0,1]=3 212 B11R0.42 C[C@@H](O)C(=O)NCCCCCO 240690a_100000762737_100000717761 [1,0,0,0,0,0|2,0,1]=4 213 B11R0.42 C[C@H](O)C(=O)CCCCCC#N 1458a_217856618621_100009813376 [1,0,0,0,0,0|2,0,1]=4 214 B11R0.42 C[C@H](O)C(=O)CCCCCCF 1458a_217856618621_100015922095 [1,0,0,0,0,0|2,0,1]=4 215 B11R0.42 C[C@H](O)C(=O)CCCCCCO 1458a_217856618621_100000766143 [1,0,0,0,0,0|1,0,1]=3 216 B11R0.42 C[C@H](O)C(=O)NCCCCCO 240690a_100000762737_217856618621 [1,0,0,0,0,0|2,0,1]=4 217 B11R0.42 O=C(CCCCCCO)C(O)O 1458a_100000233687_100000766143 [1,0,0,0,0,0|2,0,1]=4 218 B11R0.111 C#CC(=O)CCCCCC(=O)N 1458a_100000211873_100009817443 [1,0,0,0,0,0|1,0,2]=4 219 B11R0.111 C=CC(=O)CCCCCC(=O)N 1458a_100000185746_100009817443 [1,0,0,0,0,0|1,0,2]=4 220 B11R0.111 CC(=O)OCCCCC(=O)CO 1458a_100000210174_100000033659 [1,0,0,0,0,0|3,0,0]=4 221 B11R0.111 CC(=O)SCCCCC(=O)CO 1458a_100000210174_200010402107 [1,0,0,0,0,0|3,0,0]=4 222 B11R0.111 CCC(=O)CCCCCB(O)O 1458a_100000210414_200009817188 [1,0,0,0,0,0|1,0,1]=3 223 B11R0.111 CCC(=O)CCCCCC(=O)N 1458a_100000210414_100009817443 [1,0,0,0,0,0|1,0,0]=2 224 B11R0.111 CCC(=O)CCCCCC(C)C 1458a_100000210414_100000210682 [1,0,0,0,0,0|2,0,1]=4 225 B11R0.111 CCC(=O)CCCCCC(C)C 1458a_100000766313_100000210202 [1,0,0,0,0,0|2,0,1]=4 226 B11R0.111 CCC(=O)CCCCC[N+](=O)[O-] 1458a_100000043470_100000210202 [1,0,0,0,0,0|1,0,1]=3 227 B11R0.111 CCC(=O)CCCCOC(=O)C 1458a_100000210414_100000033659 [1,0,0,0,0,0|2,0,0]=3 228 B11R0.111 CCC(=O)CCCCO[N+](=O)[O-] 1458a_100000210414_100015694321 [1,0,0,0,0,0|2,0,1]=4 229 B11R0.111 CCC(=O)CCCCSC(=O)C 1458a_100000210414_200010402107 [1,0,0,0,0,0|2,0,0]=3 230 B11R0.111 CCC(=O)COCCCC(=O)C 34a_100000725409_100000685027 [1,0,0,0,0,0|2,0,0]=3 231 B11R0.111 CCC(=O)COCCCC(=O)C 7a_100000759063_100000747405 [1,0,0,0,0,0|2,0,0]=3 232 B11R0.111 CCC(=O)COCCCC(=O)N 34a_100000725409_100102525003 [1,0,0,0,0,0|2,0,0]=3 233 B11R0.111 CCC(=O)COCCCC(C)O 34a_100000725409_200000718107 [1,0,0,0,0,0|2,0,1]=4 234 B11R0.111 CCC(=O)COCCOC(=O)C 34a_100000725409_100009814007 [1,0,0,0,0,0|3,0,0]=4 235 B11R0.111 CCC(=O)COCCOC(=O)N 34a_100000725409_200011214921 [1,0,0,0,0,0|3,0,0]=4 236 B11R0.111 CCC(=O)COCCOC(=O)N 7a_100000766696_100000747405 [1,0,0,0,0,0|3,0,0]=4 237 B11R0.111 CCC(=O)CSCCCC(=O)C 62a_100000747405_100011215641 [1,0,0,0,0,0|2,0,0]=3 238 B11R0.111 CCC(=O)CSCCCC(=O)C 62a_100011215641_100000747405 [1,0,0,0,0,0|2,0,0]=3 239 B11R0.111 CCC(=O)CSCCCC(=O)N 62a_100000747405_100102525003 [1,0,0,0,0,0|2,0,0]=3 240 B11R0.111 CCC(=O)CSCCCC(=O)N 62a_100102525003_100000747405 [1,0,0,0,0,0|2,0,0]=3 241 B11R0.111 CCC(=O)CSCCCC(C)O 62a_100000747405_200000718107 [1,0,0,0,0,0|2,0,1]=4 242 B11R0.111 CCC(=O)CSCCCC(C)O 62a_200000718107_100000747405 [1,0,0,0,0,0|2,0,1]=4 243 B11R0.111 CCC(=O)CSCCNC(=O)C 62a_100000189650_100000747405 [1,0,0,0,0,0|3,0,0]=4 244 B11R0.111 CCC(=O)CSCCNC(=O)C 62a_100000747405_100000189650 [1,0,0,0,0,0|3,0,0]=4 245 B11R0.111 CCC(=O)CSCCNC(=O)N 62a_100000747405_200000034859 [1,0,0,0,0,0|3,0,0]=4 246 B11R0.111 CCC(=O)CSCCNC(=O)N 62a_200000034859_100000747405 [1,0,0,0,0,0|3,0,0]=4 247 B11R0.111 CCC(=O)CSCCOC(=O)C 62a_100000747405_100009814007 [1,0,0,0,0,0|3,0,0]=4 248 B11R0.111 CCC(=O)CSCCOC(=O)C 62a_100009814007_100000747405 [1,0,0,0,0,0|3,0,0]=4 249 B11R0.111 CCC(=O)CSCCOC(=O)N 62a_100000747405_200011214921 [1,0,0,0,0,0|3,0,0]=4 250 B11R0.111 CCC(=O)CSCCOC(=O)N 62a_200011214921_100000747405 [1,0,0,0,0,0|3,0,0]=4 251 B11R0.111 CCC(=O)NCCCCC(=O)N 11a_100000696515_100000210414 [1,0,0,0,0,0|2,0,0]=3 252 B11R0.111 CCC(=O)NCCCCC(=O)N 1626a_100000696515_100000210414 [1,0,0,0,0,0|2,0,0]=3 253 B11R0.111 CCC(=O)NCCCCC(=O)N 240690a_100000696515_100000210414 [1,0,0,0,0,0|2,0,0]=3 254 B11R0.111 CCC(=O)NCCCCC(=O)N 527a_100000696515_100000210414 [1,0,0,0,0,0|2,0,0]=3 255 B11R0.111 CCC(=O)NCCCNC(=O)C 11a_100000736810_100000210414 [1,0,0,0,0,0|3,0,0]=4 256 B11R0.111 CCC(=O)NCCCNC(=O)C 240690a_100000736810_100000210414 [1,0,0,0,0,0|3,0,0]=4 257 B11R0.111 CCC(=O)NCCCNC(=O)C 527a_100000736810_100000210414 [1,0,0,0,0,0|3,0,0]=4 258 B11R0.111 CCC(=O)NCCNCC(=O)N 34a_100132302217_100000187820 [1,0,0,0,0,0|3,0,0]=4 259 B11R0.111 CCC(=O)NCCNCC(=O)[O-] 34a_100132302217_100020667443 [1,0,0,0,0,0|2,0,1]=4 260 B11R0.111 CCC(=O)NCCOCC(=O)N 34a_200000158885_100000187820 [1,0,0,0,0,0|3,0,0]=4 261 B11R0.111 CCC(=O)NCCOCC(=O)N 7a_200000158885_100000187820 [1,0,0,0,0,0|3,0,0]=4 262 B11R0.111 CCC(=O)NCCOCC(=O)[O-] 34a_200000158885_100020667443 [1,0,0,0,0,0|2,0,1]=4 263 B11R0.111 CCC(=O)OCCOCC(=O)N 7a_200000031056_100000187820 [1,0,0,0,0,0|3,0,0]=4 264 B11R0.111 CCN(C)CCCCCC(=O)N 2230a_100000225621_100009817443 [1,0,0,0,0,0|3,0,0]=4 265 B11R0.111 CCN(C)CCCCCC(=O)N 269982a_100000225621_100009817443 [1,0,0,0,0,0|3,0,0]=4 266 B11R0.111 CCN(C)CCCNCC(=O)O 269956a_100016091260_100015186262 [1,0,0,0,0,0|3,0,0]=4 267 B11R0.111 CNC(=O)CCCCC[N+](=O)[O-] 11a_106832991635_100000043470 [1,0,0,0,0,0|2,0,1]=4 268 B11R0.111 CNC(=O)CCCCC[N+](=O)[O-] 1626a_100102657272_100000043470 [1,0,0,0,0,0|2,0,1]=4 269 B11R0.111 CNC(=O)CCCCC[N+](=O)[O-] 240690a_100102657272_100000043470 [1,0,0,0,0,0|2,0,1]=4 270 B11R0.111 CNC(=O)CCCCC[N+](=O)[O-] 527a_100102657272_100000043470 [1,0,0,0,0,0|2,0,1]=4 271 B11R0.111 CNC(=O)CCCNCC(=O)N 2230a_100000711301_100000741757 [1,0,0,0,0,0|3,0,0]=4 272 B11R0.111 CNC(=O)CCCNCC(=O)N 2230a_100000740002_100000747473 [1,0,0,0,0,0|3,0,0]=4 273 B11R0.111 CNC(=O)CCCNCC(=O)N 34a_100000740002_100000187820 [1,0,0,0,0,0|3,0,0]=4 274 B11R0.111 CNC(=O)CCCNCC(=O)O 269956a_100016091260_100000741757 [1,0,0,0,0,0|2,0,0]=3 275 B11R0.111 CNC(=O)CCCNCC(=O)[O-] 34a_100000740002_100020667443 [1,0,0,0,0,0|2,0,1]=4 276 B11R0.111 CNC(=O)CCCOCC(=O)C 34a_100000211253_100000741757 [1,0,0,0,0,0|3,0,0]=4 277 B11R0.111 CNC(=O)CCCSCC(=O)N 62a_100000741757_100000747473 [1,0,0,0,0,0|3,0,0]=4 278 B11R0.111 CNC(=O)CCCSCC(=O)N 62a_100000747473_100000741757 [1,0,0,0,0,0|3,0,0]=4 279 B11R0.111 CNC(=O)CCCSCC(=O)[O-] 62a_100000741757_100020667443 [1,0,0,0,0,0|2,0,1]=4 280 B11R0.111 CNC(=O)CCCSCC(=O)[O-] 62a_100020667443_100000741757 [1,0,0,0,0,0|2,0,1]=4 281 B11R0.111 CNC(=O)CCNCCC(=O)N 2230a_100000738227_100000744528 [1,0,0,0,0,0|3,0,0]=4 282 B11R0.111 CNC(=O)CCNCCC(=O)N 34a_100000738227_100000731001 [1,0,0,0,0,0|3,0,0]=4 283 B11R0.111 CNC(=O)CCNOCC(=O)O 269956a_100000106656_100000737683 [1,0,0,0,0,0|3,0,0]=4 284 B11R0.111 CNC(=O)CCOCCC(=O)C 34a_100000759926_100012179268 [1,0,0,0,0,0|3,0,0]=4 285 B11R0.111 CNC(=O)CCOCCC(=O)C 7a_100000759926_100000737683 [1,0,0,0,0,0|3,0,0]=4 286 B11R0.111 CNC(=O)CCOCCC(=O)N 34a_100000754576_100000731001 [1,0,0,0,0,0|3,0,0]=4 287 B11R0.111 CNC(=O)CCOCCC(=O)N 34a_100000757172_100012179268 [1,0,0,0,0,0|3,0,0]=4 288 B11R0.111 CNC(=O)CCOCCC(=O)N 7a_100000757172_100000737683 [1,0,0,0,0,0|3,0,0]=4 289 B11R0.111 CNC(=O)CCSCCC(=O)C 62a_100000053229_100000737683 [1,0,0,0,0,0|3,0,0]=4 290 B11R0.111 CNC(=O)CCSCCC(=O)C 62a_100000737683_100000053229 [1,0,0,0,0,0|3,0,0]=4 291 B11R0.111 CNC(=O)CCSCCC(=O)N 62a_100000737683_100000744528 [1,0,0,0,0,0|3,0,0]=4 292 B11R0.111 CNC(=O)CCSCCC(=O)N 62a_100000744528_100000737683 [1,0,0,0,0,0|3,0,0]=4 293 B11R0.111 CNC(=O)CNCCCC(=O)N 34a_100000739312_100000183359 [1,0,0,0,0,0|3,0,0]=4 294 B11R0.111 CNC(=O)COCCCC(=O)C 34a_100000750040_100000685027 [1,0,0,0,0,0|3,0,0]=4 295 B11R0.111 CNC(=O)COCCCC(=O)C 34a_100000759063_100000183359 [1,0,0,0,0,0|3,0,0]=4 296 B11R0.111 CNC(=O)COCCCC(=O)C 7a_100000759063_100000183359 [1,0,0,0,0,0|3,0,0]=4 297 B11R0.111 CNC(=O)COCCCC(=O)N 34a_100000750040_100102525003 [1,0,0,0,0,0|3,0,0]=4 298 B11R0.111 CNC(=O)CSCCCC(=O)C 62a_100000183359_100011215641 [1,0,0,0,0,0|3,0,0]=4 299 B11R0.111 CNC(=O)CSCCCC(=O)C 62a_100011215641_100000183359 [1,0,0,0,0,0|3,0,0]=4 300 B11R0.111 CNC(=O)CSCCCC(=O)N 62a_100000183359_100102525003 [1,0,0,0,0,0|3,0,0]=4 301 B11R0.111 CNC(=O)CSCCCC(=O)N 62a_100102525003_100000183359 [1,0,0,0,0,0|3,0,0]=4 302 B11R0.111 CNC(=O)NCCCCC(=O)N 273464a_100000696515_100102657272 [1,0,0,0,0,0|3,0,0]=4 303 B11R0.111 CNC(=O)NCCCCC(=O)N 273464a_100102657272_100000696515 [1,0,0,0,0,0|3,0,0]=4 304 B11R0.111 CNC(=O)NCCCCC(=O)N 512a_100000696515_100102657272 [1,0,0,0,0,0|3,0,0]=4 305 B11R0.111 CNC(=O)NCCCCC(=O)N 512a_106832991638_100000696515 [1,0,0,0,0,0|3,0,0]=4 306 B11R0.111 COC(=O)CCCCCC(=O)C 1458a_100000070787_100009816466 [1,0,0,0,0,0|2,0,0]=3 307 B11R0.111 COC(=O)CCCCCC(=O)C 1458a_100009848860_200000210301 [1,0,0,0,0,0|2,0,0]=3 308 B11R0.111 COC(=O)CCCCCC(=O)[13CH3] 1458a_100009848860_200025704644 [1,0,0,0,0,0|2,0,0]=3 309 B11R0.111 COC(=O)CCCCNC(=O)C 188690a_100000746077_100015343762 [1,0,0,0,0,0|3,0,0]=4 310 B11R0.111 COC(=O)CCCNCC(=O)N 2230a_100000711301_100011218270 [1,0,0,0,0,0|3,0,0]=4 311 B11R0.111 COC(=O)CCCNCC(=O)O 269956a_100016091260_100011218270 [1,0,0,0,0,0|2,0,0]=3 312 B11R0.111 COC(=O)CCCOCC(=O)C 34a_100000211253_100000742333 [1,0,0,0,0,0|3,0,0]=4 313 B11R0.111 COC(=O)CCCSCC(=O)N 62a_100000747473_100011218270 [1,0,0,0,0,0|3,0,0]=4 314 B11R0.111 COC(=O)CCCSCC(=O)N 62a_100011218270_100000747473 [1,0,0,0,0,0|3,0,0]=4 315 B11R0.111 COC(=O)CCCSCC(=O)[O-] 62a_100011218270_100020667443 [1,0,0,0,0,0|2,0,1]=4 316 B11R0.111 COC(=O)CCCSCC(=O)[O-] 62a_100020667443_100011218270 [1,0,0,0,0,0|2,0,1]=4 317 B11R0.111 COC(=O)CCNOCC(=O)O 269956a_100000106656_100000204255 [1,0,0,0,0,0|3,0,0]=4 318 B11R0.111 COC(=O)CCOCCC(=O)C 34a_100000759926_100000742370 [1,0,0,0,0,0|3,0,0]=4 319 B11R0.111 COC(=O)CCOCCC(=O)C 7a_100000759926_100000204255 [1,0,0,0,0,0|3,0,0]=4 320 B11R0.111 COC(=O)CCOCCC(=O)N 34a_100000757172_100000742370 [1,0,0,0,0,0|3,0,0]=4 321 B11R0.111 COC(=O)CCOCCC(=O)N 7a_100000757172_100000204255 [1,0,0,0,0,0|3,0,0]=4 322 B11R0.111 COC(=O)CCSCCC(=O)C 62a_100000053229_100000204255 [1,0,0,0,0,0|3,0,0]=4 323 B11R0.111 COC(=O)CCSCCC(=O)C 62a_100000204255_100000053229 [1,0,0,0,0,0|3,0,0]=4 324 B11R0.111 COC(=O)CCSCCC(=O)N 62a_100000204255_100000744528 [1,0,0,0,0,0|3,0,0]=4 325 B11R0.111 COC(=O)CCSCCC(=O)N 62a_100000744528_100000204255 [1,0,0,0,0,0|3,0,0]=4 326 B11R0.111 COC(=O)CNCCCC(=O)N 34a_100000739312_100000747449 [1,0,0,0,0,0|3,0,0]=4 327 B11R0.111 COC(=O)COCCCC(=O)C 34a_100000759063_100000747449 [1,0,0,0,0,0|3,0,0]=4 328 B11R0.111 COC(=O)COCCCC(=O)C 7a_100000759063_100000747449 [1,0,0,0,0,0|3,0,0]=4 329 B11R0.111 COC(=O)CSCCCC(=O)C 62a_100000747449_100011215641 [1,0,0,0,0,0|3,0,0]=4 330 B11R0.111 COC(=O)CSCCCC(=O)C 62a_100011215641_100000747449 [1,0,0,0,0,0|3,0,0]=4 331 B11R0.111 COC(=O)CSCCCC(=O)N 62a_100000747449_100102525003 [1,0,0,0,0,0|3,0,0]=4 332 B11R0.111 COC(=O)CSCCCC(=O)N 62a_100102525003_100000747449 [1,0,0,0,0,0|3,0,0]=4 333 B11R0.111 NC(=O)CCCCCC(=O)CO 1458a_100000210174_100009817443 [1,0,0,0,0,0|2,0,0]=3 334 B11R0.111 NC(=O)CCCCNC(=O)CO 240690a_100000696515_100000210174 [1,0,0,0,0,0|3,0,0]=4 335 B11R0.111 NC(=O)CCCCNC(=O)CO 527a_100000696515_100000210174 [1,0,0,0,0,0|3,0,0]=4 336 B11R0.111 NNC(=O)CCCOCC(=O)N 34a_100000211488_100000187820 [1,0,0,0,0,0|3,0,0]=4 337 B11R0.111 NNC(=O)CCCOCC(=O)[O-] 34a_100000211488_100020667443 [1,0,0,0,0,0|2,0,1]=4 338 B11R0.111 O=C(CF)CCCCC[N+](=O)[O-] 1458a_100000043470_100015361967 [1,0,0,0,0,0|2,0,1]=4 339 B11R0.111 O=C(CO)CCCCCB(O)O 1458a_100000210174_200009817188 [1,0,0,0,0,0|2,0,1]=4 340 B13R0.50 CC(=O)CCCOC(C)C(=O)C(C)C 7a_100000759063_100009893295 [0,1,0,0,0,0|3,0,0]=4 341 B13R0.50 CC(=O)CCCSC(C)C(=O)C(C)C 62a_100009893295_100011215641 [0,1,0,0,0,0|3,0,0]=4 342 B13R0.50 CC(=O)CCCSC(C)C(=O)C(C)C 62a_100011215641_100009893295 [0,1,0,0,0,0|3,0,0]=4 343 B13R0.50 CC(C)C(=O)C(C)SCCCC(=O)N 62a_100009893295_100102525003 [0,1,0,0,0,0|3,0,0]=4 344 B13R0.50 CC(C)C(=O)C(C)SCCCC(=O)N 62a_100102525003_100009893295 [0,1,0,0,0,0|3,0,0]=4 345 B13R0.78 CC(=O)C(=O)CNCC(O)CC(=O)O 269956a_100011218706_100011261029 [0,1,0,0,0,0|2,0,1]=4 346 B13R0.78 CC(C)C(=O)CNCC(O)CC(=O)O 269956a_100011218706_100000753385 [0,1,0,0,0,0|2,0,0]=3 347 B13R0.78 CN(C)C(=O)CNCC(O)CC(=O)O 269956a_100011218706_100000692301 [0,1,0,0,0,0|3,0,0]=4 348 B13R0.78 CN(CCCC(=O)N(C)C)CC(=O)O 269956a_100000746989_100000737642 [0,1,0,0,0,0|3,0,0]=4 349 B13R0.101 C#CC(C)C(=O)CCCCC[N+](=O)[O-] 1458a_100000043470_200000035995 [0,1,0,0,0,0|2,0,1]=4 350 B13R0.101 C/C=C(\C)/C(=O)CCCCCC(=O)N 1458a_100020587367_100009817443 [0,1,0,0,0,0|2,0,1]=4 351 B13R0.101 C=CC(C)C(=O)CCCCCB(O)O 1458a_100011216780_200009817188 [0,1,0,0,0,0|2,0,1]=4 352 B13R0.101 C=CC(C)C(=O)CCCCCC(=O)N 1458a_100011216780_100009817443 [0,1,0,0,0,0|2,0,0]=3 353 B13R0.101 C=CC(C)C(=O)CCCCOC(=O)C 1458a_100011216780_100000033659 [0,1,0,0,0,0|3,0,0]=4 354 B13R0.101 C=CC(C)C(=O)CCCCSC(=O)C 1458a_100011216780_200010402107 [0,1,0,0,0,0|3,0,0]=4 355 B13R0.101 C=CC(C)C(=O)NCCCCC(=O)N 11a_100000696515_100011216780 [0,1,0,0,0,0|3,0,0]=4 356 B13R0.101 C=CC(C)C(=O)NCCCCC(=O)N 1626a_100000696515_100011216780 [0,1,0,0,0,0|3,0,0]=4 357 B13R0.101 C=CC(C)C(=O)NCCCCC(=O)N 240690a_100000696515_100011216780 [0,1,0,0,0,0|3,0,0]=4 358 B13R0.101 C=CC(C)C(=O)NCCCCC(=O)N 527a_100000696515_100011216780 [0,1,0,0,0,0|3,0,0]=4 359 B13R0.101 CC(=O)OCCCCC(=O)C(C)C#N 1458a_100000753662_100000033659 [0,1,0,0,0,0|2,0,1]=4 360 B13R0.101 CC(=O)OCCCCC(=O)C(O)CO 1458a_100011215603_100000033659 [0,1,0,0,0,0|3,0,0]=4 361 B13R0.101 CC(=O)SCCCCC(=O)C(C)C#N 1458a_100000753662_200010402107 [0,1,0,0,0,0|2,0,1]=4 362 B13R0.101 CC(=O)SCCCCC(=O)C(O)CO 1458a_100011215603_200010402107 [0,1,0,0,0,0|3,0,0]=4 363 B13R0.101 CC(C#N)C(=O)CCCCCB(O)O 1458a_100000753662_200009817188 [0,1,0,0,0,0|1,0,2]=4 364 B13R0.101 CC(C#N)C(=O)CCCCCC(=O)N 1458a_100000753662_100009817443 [0,1,0,0,0,0|1,0,1]=3 365 B13R0.101 CC(C#N)C(=O)CCCCC[N+](=O)[O-] 1458a_100000043470_100000703298 [0,1,0,0,0,0|1,0,2]=4 366 B13R0.101 CC(C#N)C(=O)NCCCCC(=O)N 11a_100000696515_100000753662 [0,1,0,0,0,0|2,0,1]=4 367 B13R0.101 CC(C#N)C(=O)NCCCCC(=O)N 1626a_100000696515_100000753662 [0,1,0,0,0,0|2,0,1]=4 368 B13R0.101 CC(C#N)C(=O)NCCCCC(=O)N 240690a_100000696515_100000753662 [0,1,0,0,0,0|2,0,1]=4 369 B13R0.101 CC(C#N)C(=O)NCCCCC(=O)N 527a_100000696515_100000753662 [0,1,0,0,0,0|2,0,1]=4 370 B13R0.101 CCC(C)C(=O)CCCCCB(O)O 1458a_100011192722_200009817188 [0,1,0,0,0,0|2,0,1]=4 371 B13R0.101 CCC(C)C(=O)CCCCCC(=O)N 1458a_100011192722_100009817443 [0,1,0,0,0,0|2,0,0]=3 372 B13R0.101 CCC(C)C(=O)CCCCC[N+](=O)[O-] 1458a_100000043470_100000758301 [0,1,0,0,0,0|2,0,1]=4 373 B13R0.101 CCC(C)C(=O)CCCCOC(=O)C 1458a_100011192722_100000033659 [0,1,0,0,0,0|3,0,0]=4 374 B13R0.101 CCC(C)C(=O)CCCCSC(=O)C 1458a_100011192722_200010402107 [0,1,0,0,0,0|3,0,0]=4 375 B13R0.101 CCC(C)C(=O)NCCCCC(=O)N 11a_100000696515_100011192722 [0,1,0,0,0,0|3,0,0]=4 376 B13R0.101 CCC(C)C(=O)NCCCCC(=O)N 1626a_100000696515_100011192722 [0,1,0,0,0,0|3,0,0]=4 377 B13R0.101 CCC(C)C(=O)NCCCCC(=O)N 240690a_100000696515_100011192722 [0,1,0,0,0,0|3,0,0]=4 378 B13R0.101 CCC(C)C(=O)NCCCCC(=O)N 527a_100000696515_100011192722 [0,1,0,0,0,0|3,0,0]=4 379 B13R0.101 CCC(O)C(=O)CCCCCB(O)O 1458a_100011196387_200009817188 [0,1,0,0,0,0|2,0,1]=4 380 B13R0.101 CCC(O)C(=O)CCCCCC(=O)N 1458a_100011196387_100009817443 [0,1,0,0,0,0|2,0,0]=3 381 B13R0.101 CCC(O)C(=O)CCCCOC(=O)C 1458a_100011196387_100000033659 [0,1,0,0,0,0|3,0,0]=4 382 B13R0.101 CCC(O)C(=O)CCCCSC(=O)C 1458a_100011196387_200010402107 [0,1,0,0,0,0|3,0,0]=4 383 B13R0.101 CCC(O)C(=O)NCCCCC(=O)N 240690a_100000696515_100011196387 [0,1,0,0,0,0|3,0,0]=4 384 B13R0.101 CNC(=O)C(=O)CCCCCC(=O)N 1458a_100011218921_100009817443 [0,1,0,0,0,0|2,0,1]=4 385 B13R0.101 COC(C)C(=O)CCCCCB(O)O 1458a_100000743197_200009817188 [0,1,0,0,0,0|2,0,1]=4 386 B13R0.101 COC(C)C(=O)CCCCCC(=O)N 1458a_100000743197_100009817443 [0,1,0,0,0,0|2,0,0]=3 387 B13R0.101 COC(C)C(=O)CCCCOC(=O)C 1458a_100000743197_100000033659 [0,1,0,0,0,0|3,0,0]=4 388 B13R0.101 COC(C)C(=O)CCCCSC(=O)C 1458a_100000743197_200010402107 [0,1,0,0,0,0|3,0,0]=4 389 B13R0.101 COC(C)C(=O)NCCCCC(=O)N 11a_100000696515_100000743197 [0,1,0,0,0,0|3,0,0]=4 390 B13R0.101 COC(C)C(=O)NCCCCC(=O)N 1626a_100000696515_100000743197 [0,1,0,0,0,0|3,0,0]=4 391 B13R0.101 COC(C)C(=O)NCCCCC(=O)N 240690a_100000696515_100000743197 [0,1,0,0,0,0|3,0,0]=4 392 B13R0.101 COC(C)C(=O)NCCCCC(=O)N 527a_100000696515_100000743197 [0,1,0,0,0,0|3,0,0]=4 393 B13R0.101 CON(C)C(=O)CCCNCC(=O)O 269956a_100016091260_100011842776 [0,1,0,0,0,0|3,0,0]=4 394 B13R0.101 CSC(C)C(=O)CCCCCB(O)O 1458a_100000149566_200009817188 [0,1,0,0,0,0|2,0,1]=4 395 B13R0.101 CSC(C)C(=O)CCCCCC(=O)N 1458a_100000149566_100009817443 [0,1,0,0,0,0|2,0,0]=3 396 B13R0.101 CSC(C)C(=O)CCCCOC(=O)C 1458a_100000149566_100000033659 [0,1,0,0,0,0|3,0,0]=4 397 B13R0.101 CSC(C)C(=O)CCCCSC(=O)C 1458a_100000149566_200010402107 [0,1,0,0,0,0|3,0,0]=4 398 B13R0.101 CSC(C)C(=O)NCCCCC(=O)N 11a_100000696515_100000149566 [0,1,0,0,0,0|3,0,0]=4 399 B13R0.101 CSC(C)C(=O)NCCCCC(=O)N 1626a_100000696515_100000149566 [0,1,0,0,0,0|3,0,0]=4 400 B13R0.101 CSC(C)C(=O)NCCCCC(=O)N 240690a_100000696515_100000149566 [0,1,0,0,0,0|3,0,0]=4 401 B13R0.101 CSC(C)C(=O)NCCCCC(=O)N 527a_100000696515_100000149566 [0,1,0,0,0,0|3,0,0]=4 402 B13R0.101 NC(=O)CCCCCC(=O)C(O)CO 1458a_100011215603_100009817443 [0,1,0,0,0,0|2,0,0]=3 403 B13R0.101 NC(=O)CCCCNC(=O)C(O)CO 240690a_100000696515_100011215603 [0,1,0,0,0,0|3,0,0]=4 404 B13R0.101 O=C(CCCCCB(O)O)C(O)CO 1458a_100011215603_200009817188 [0,1,0,0,0,0|2,0,1]=4 405 B13R0.204 C#CC(O)CCCCCC(=O)C(C)C 1458a_100000210198_200010408556 [0,1,0,0,0,0|2,0,1]=4 406 B13R0.204 C#CC(O)CCCCCC(=O)C(C)F 1458a_100000062450_200010408556 [0,1,0,0,0,0|2,0,1]=4 407 B13R0.204 C#CC(O)CCCCCC(=O)[C@@H](C)O 1458a_100000717761_200010408556 [0,1,0,0,0,0|2,0,1]=4 408 B13R0.204 C#CC(O)CCCCCC(=O)[C@H](C)O 1458a_217856618621_200010408556 [0,1,0,0,0,0|2,0,1]=4 409 B13R0.204 C=C(C)C(=O)CCCCCC(=O)OC 1458a_100000185857_100009816466 [0,1,0,0,0,0|1,0,1]=3 410 B13R0.204 C=C(C)C(=O)NCCCCC(=O)OC 188690a_100000746077_100000185857 [0,1,0,0,0,0|2,0,1]=4 411 B13R0.204 CC(C)C(=O)COCCCC(=O)NN 34a_100000211488_100000753385 [0,1,0,0,0,0|3,0,0]=4 412 B13R0.204 CNC(=O)CCCNCC(=O)C(C)C 2230a_100000740002_100000753385 [0,1,0,0,0,0|3,0,0]=4 413 B13R0.204 CNC(=O)CCCNCC(=O)C(C)C 34a_100000740002_100000753385 [0,1,0,0,0,0|3,0,0]=4 414 B13R0.204 CNC(=O)CCCSCC(=O)C(C)C 62a_100000741757_100000753385 [0,1,0,0,0,0|3,0,0]=4 415 B13R0.204 CNC(=O)CCCSCC(=O)C(C)C 62a_100000753385_100000741757 [0,1,0,0,0,0|3,0,0]=4 416 B13R0.204 COC(=O)CCCCCC(=O)C(C)C 1458a_100000210198_100009816466 [0,1,0,0,0,0|1,0,0]=2 417 B13R0.204 COC(=O)CCCCCC(=O)C(C)C 1458a_100009848860_100000210206 [0,1,0,0,0,0|1,0,0]=2 418 B13R0.204 COC(=O)CCCCCC(=O)C(C)F 1458a_100000062450_100009816466 [0,1,0,0,0,0|1,0,0]=2 419 B13R0.204 COC(=O)CCCCCC(=O)C(O)O 1458a_100000233687_100009816466 [0,1,0,0,0,0|2,0,0]=3 420 B13R0.204 COC(=O)CCCCCC(=O)N(C)C 11a_100102631434_100009848860 [0,1,0,0,0,0|2,0,0]=3 421 B13R0.204 COC(=O)CCCCCC(=O)N(C)C 1626a_100102631434_100009848860 [0,1,0,0,0,0|2,0,0]=3 422 B13R0.204 COC(=O)CCCCCC(=O)N(C)C 240690a_100102631434_100009848860 [0,1,0,0,0,0|2,0,0]=3 423 B13R0.204 COC(=O)CCCCCC(=O)[C@@H](C)O 1458a_100000717761_100009816466 [0,1,0,0,0,0|1,0,0]=2 424 B13R0.204 COC(=O)CCCCCC(=O)[C@H](C)O 1458a_217856618621_100009816466 [0,1,0,0,0,0|1,0,0]=2 425 B13R0.204 COC(=O)CCCCCN(C)C(C)C 269982a_200000211004_100009816466 [0,1,0,0,0,0|3,0,0]=4 426 B13R0.204 COC(=O)CCCCNC(=O)C(C)C 188690a_100000746077_100000210198 [0,1,0,0,0,0|2,0,0]=3 427 B13R0.204 COC(=O)CCCCNC(=O)C(C)F 188690a_100000746077_100000062450 [0,1,0,0,0,0|2,0,0]=3 428 B13R0.204 COC(=O)CCCCNC(=O)C(O)O 188690a_100000746077_100000233687 [0,1,0,0,0,0|3,0,0]=4 429 B13R0.204 COC(=O)CCCCNC(=O)[C@@H](C)O 188690a_100000746077_100000717761 [0,1,0,0,0,0|2,0,0]=3 430 B13R0.204 COC(=O)CCCCNC(=O)[C@H](C)O 188690a_100000746077_217856618621 [0,1,0,0,0,0|2,0,0]=3 431 B13R0.204 COC(=O)CCCNCC(=O)N(C)C 2230a_100015183351_100011218270 [0,1,0,0,0,0|3,0,0]=4 432 B13R0.204 COC(=O)CCCSCC(=O)C(=O)C 62a_100011218270_100011261029 [0,1,0,0,0,0|2,0,1]=4 433 B13R0.204 COC(=O)CCCSCC(=O)C(=O)C 62a_100011261029_100011218270 [0,1,0,0,0,0|2,0,1]=4 434 B13R0.204 COC(=O)CCCSCC(=O)C(C)C 62a_100000753385_100011218270 [0,1,0,0,0,0|2,0,0]=3 435 B13R0.204 COC(=O)CCCSCC(=O)C(C)C 62a_100011218270_100000753385 [0,1,0,0,0,0|2,0,0]=3 436 B13R0.204 COC(=O)CCCSCC(=O)N(C)C 62a_100000692301_100011218270 [0,1,0,0,0,0|3,0,0]=4 437 B13R0.204 COC(=O)CCCSCC(=O)N(C)C 62a_100011218270_100000692301 [0,1,0,0,0,0|3,0,0]=4 438 B13R0.204 COC(=O)CCNCCC(=O)N(C)C 2230a_100000738053_100000204255 [0,1,0,0,0,0|3,0,0]=4 439 B13R0.204 COC(=O)CCOCCC(=O)N(C)C 34a_200000747469_100000742370 [0,1,0,0,0,0|3,0,0]=4 440 B13R0.204 COC(=O)CCSCCC(=O)N(C)C 62a_100000204255_100000737620 [0,1,0,0,0,0|3,0,0]=4 441 B13R0.204 COC(=O)CCSCCC(=O)N(C)C 62a_100000737620_100000204255 [0,1,0,0,0,0|3,0,0]=4 442 B13R0.204 COC(=O)CCSCOC(=O)C(C)C 62a_100000139345_100000204255 [0,1,0,0,0,0|3,0,0]=4 443 B13R0.204 COC(=O)CCSCOC(=O)C(C)C 62a_100000204255_100000139345 [0,1,0,0,0,0|3,0,0]=4 444 B13R0.204 COC(=O)CNCCCC(=O)N(C)C 2230a_200000744827_100000747449 [0,1,0,0,0,0|3,0,0]=4 445 B13R0.204 COC(=O)CNCCNC(=O)C(C)C 2230a_100000752568_100000747449 [0,1,0,0,0,0|3,0,0]=4 446 B13R0.204 COC(=O)CNCCNC(=O)C(C)C 34a_100000752568_100000747449 [0,1,0,0,0,0|3,0,0]=4 447 B13R0.204 COC(=O)CSCCCC(=O)N(C)C 62a_100000737642_100000747449 [0,1,0,0,0,0|3,0,0]=4 448 B13R0.204 COC(=O)CSCCCC(=O)N(C)C 62a_100000747449_100000737642 [0,1,0,0,0,0|3,0,0]=4 449 B13R0.204 COC(=O)NCCOCC(=O)C(C)C 34a_100000757965_100000753385 [0,1,0,0,0,0|3,0,0]=4 450 B13R0.204 COC(=O)OCCOCC(=O)C(C)C 34a_100010262106_100000753385 [0,1,0,0,0,0|3,0,0]=4 451 B13R0.353 CC(CNCCC(=O)N(C)C)C(=O)O 269956a_100000749485_100000737620 [0,1,0,0,0,0|3,0,0]=4 452 B13R0.353 CN(C)C(=O)CCNCC(F)C(=O)O 269956a_100000084737_100000737620 [0,1,0,0,0,0|3,0,0]=4 453 B13R0.353 C[C@H](NCCCC(=O)N(C)C)C(=O)O 269956a_100000743915_100000737642 [0,1,0,0,0,0|3,0,0]=4 454 B13R0.444 CC(=O)C(=O)CN(C)CCCC(=O)O 269956a_100000719178_100011261029 [0,1,0,0,0,0|2,0,1]=4 455 B13R0.444 CC(C)C(=O)CN(C)CCCC(=O)O 269956a_100000719178_100000753385 [0,1,0,0,0,0|2,0,0]=3 456 B13R0.444 CN(CCCC(=O)O)CC(=O)N(C)C 269956a_100000719178_100000692301 [0,1,0,0,0,0|3,0,0]=4 457 B13R0.1399 CC(=O)CCCOCC(=O)C(C)(C)C 34a_100000759063_100000229897 [0,1,0,0,0,0|3,0,0]=4 458 B13R0.1399 CC(=O)CCCOCC(=O)C(C)(C)C 34a_200011592769_100000685027 [0,1,0,0,0,0|3,0,0]=4 459 B13R0.1399 CC(=O)CCCOCC(=O)C(C)(C)C 7a_100000759063_100000210923 [0,1,0,0,0,0|3,0,0]=4 460 B13R0.1399 CC(=O)CCCOCC(=O)C(C)(C)C 7a_200011592769_100011215641 [0,1,0,0,0,0|3,0,0]=4 461 B13R0.1399 CC(=O)CCCSCC(=O)C(C)(C)C 62a_100000210923_100011215641 [0,1,0,0,0,0|3,0,0]=4 462 B13R0.1399 CC(=O)CCCSCC(=O)C(C)(C)C 62a_100011215641_100000210923 [0,1,0,0,0,0|3,0,0]=4 463 B13R0.1399 CC(=O)OCCCCC(=O)C(C)(C)C 1458a_106744555173_100000033659 [0,1,0,0,0,0|3,0,0]=4 464 B13R0.1399 CC(=O)OCCCCC(=O)C(C)(C)F 1458a_100000765255_100000033659 [0,1,0,0,0,0|3,0,0]=4 465 B13R0.1399 CC(=O)OCCCCC(=O)C(C)(C)O 1458a_100000242741_100000033659 [0,1,0,0,0,0|3,0,0]=4 466 B13R0.1399 CC(=O)SCCCCC(=O)C(C)(C)C 1458a_106744555173_200010402107 [0,1,0,0,0,0|3,0,0]=4 467 B13R0.1399 CC(=O)SCCCCC(=O)C(C)(C)F 1458a_100000765255_200010402107 [0,1,0,0,0,0|3,0,0]=4 468 B13R0.1399 CC(=O)SCCCCC(=O)C(C)(C)O 1458a_100000242741_200010402107 [0,1,0,0,0,0|3,0,0]=4 469 B13R0.1399 CC(C)(C)C(=O)CCCCCB(O)O 1458a_106744555173_200009817188 [0,1,0,0,0,0|2,0,1]=4 470 B13R0.1399 CC(C)(C)C(=O)CCCCCC(=O)N 1458a_106744555173_100009817443 [0,1,0,0,0,0|2,0,0]=3 471 B13R0.1399 CC(C)(C)C(=O)CNCCCC(=O)N 34a_100000739312_100000229897 [0,1,0,0,0,0|3,0,0]=4 472 B13R0.1399 CC(C)(C)C(=O)COCCCC(=O)N 34a_200011592769_100102525003 [0,1,0,0,0,0|3,0,0]=4 473 B13R0.1399 CC(C)(C)C(=O)COCCCC(=O)N 7a_200011592769_100102525003 [0,1,0,0,0,0|3,0,0]=4 474 B13R0.1399 CC(C)(C)C(=O)CSCCCC(=O)N 62a_100000210923_100102525003 [0,1,0,0,0,0|3,0,0]=4 475 B13R0.1399 CC(C)(C)C(=O)CSCCCC(=O)N 62a_100102525003_100000210923 [0,1,0,0,0,0|3,0,0]=4 476 B13R0.1399 CC(C)(C)C(=O)NCCCCC(=O)N 11a_100000696515_106744555173 [0,1,0,0,0,0|3,0,0]=4 477 B13R0.1399 CC(C)(C)C(=O)NCCCCC(=O)N 1626a_100000696515_106744555173 [0,1,0,0,0,0|3,0,0]=4 478 B13R0.1399 CC(C)(C)C(=O)NCCCCC(=O)N 240690a_100000696515_106744555173 [0,1,0,0,0,0|3,0,0]=4 479 B13R0.1399 CC(C)(C)C(=O)NCCCCC(=O)N 527a_100000696515_106744555173 [0,1,0,0,0,0|3,0,0]=4 480 B13R0.1399 CC(C)(F)C(=O)CCCCCB(O)O 1458a_100000765255_200009817188 [0,1,0,0,0,0|2,0,1]=4 481 B13R0.1399 CC(C)(F)C(=O)CCCCCC(=O)N 1458a_100000765255_100009817443 [0,1,0,0,0,0|2,0,0]=3 482 B13R0.1399 CC(C)(F)C(=O)NCCCCC(=O)N 11a_100000696515_100000765255 [0,1,0,0,0,0|3,0,0]=4 483 B13R0.1399 CC(C)(F)C(=O)NCCCCC(=O)N 1626a_100000696515_100000765255 [0,1,0,0,0,0|3,0,0]=4 484 B13R0.1399 CC(C)(F)C(=O)NCCCCC(=O)N 240690a_100000696515_100000765255 [0,1,0,0,0,0|3,0,0]=4 485 B13R0.1399 CC(C)(F)C(=O)NCCCCC(=O)N 527a_100000696515_100000765255 [0,1,0,0,0,0|3,0,0]=4 486 B13R0.1399 CC(C)(O)C(=O)CCCCCB(O)O 1458a_100000242741_200009817188 [0,1,0,0,0,0|2,0,1]=4 487 B13R0.1399 CC(C)(O)C(=O)CCCCCC(=O)N 1458a_100000242741_100009817443 [0,1,0,0,0,0|2,0,0]=3 488 B13R0.1399 CC(C)(O)C(=O)NCCCCC(=O)N 240690a_100000696515_100000242741 [0,1,0,0,0,0|3,0,0]=4 489 B13R0.1399 CC(F)(F)C(=O)NCCCCC(=O)N 11a_100000696515_100000042251 [0,1,0,0,0,0|3,0,0]=4 490 B13R0.1399 CC(F)(F)C(=O)NCCCCC(=O)N 1626a_100000696515_100000042251 [0,1,0,0,0,0|3,0,0]=4 491 B13R0.1399 CC(F)(F)C(=O)NCCCCC(=O)N 240690a_100000696515_100000042251 [0,1,0,0,0,0|3,0,0]=4 492 B13R0.1399 CC(F)(F)C(=O)NCCCCC(=O)N 527a_100000696515_100000042251 [0,1,0,0,0,0|3,0,0]=4 493 B13R0.1399 NC(=O)CCCCCC(=O)C(F)(F)F 1458a_100015355933_100009817443 [0,1,0,0,0,0|3,0,0]=4 494 B13R1.294 CC(C)C(=O)COCC1CC(=O)C1 34a_100000101936_100000753385 [0,0,0,1,0,0|3,0,0]=4 495 B13R1.294 CC(C)C(=O)CSCC1CC(=O)C1 62a_100000753385_100009874392 [0,0,0,1,0,0|3,0,0]=4 496 B13R1.294 CC(C)C(=O)CSCC1CC(=O)C1 62a_100009874392_100000753385 [0,0,0,1,0,0|3,0,0]=4 497 B13R1.350 CC(=O)N1CCC[C@H]1C(=O)C(C)C 1458a_100011416801_100000210206 [0,0,0,1,0,0|3,0,0]=4 498 B13R1.350 CC(C)C(=O)C1CCCN1C(=O)N 1458a_200000183025_100000210206 [0,0,0,1,0,0|3,0,0]=4 499 B13R1.350 CC(C)C(=O)N1CCC[C@H]1C(=O)N 11a_100000003125_100000210198 [0,0,0,1,0,0|3,0,0]=4 500 B13R1.350 CC(C)C(=O)N1CCC[C@H]1C(=O)N 240690a_100000003125_100000210198 [0,0,0,1,0,0|3,0,0]=4 501 B13R1.350 CC(C)C(=O)N1CCC[C@H]1C(=O)N 527a_100000003125_100000210198 [0,0,0,1,0,0|3,0,0]=4 502 B13R1.350 CC(F)C(=O)N1CCC[C@H]1C(=O)N 11a_100000003125_100000062450 [0,0,0,1,0,0|3,0,0]=4 503 B13R1.350 CC(F)C(=O)N1CCC[C@H]1C(=O)N 240690a_100000003125_100000062450 [0,0,0,1,0,0|3,0,0]=4 504 B13R1.350 CC(F)C(=O)N1CCC[C@H]1C(=O)N 527a_100000003125_100000062450 [0,0,0,1,0,0|3,0,0]=4 505 B13R1.350 C[C@@H](O)C(=O)N1CCC[C@H]1C(=O)N 240690a_100000003125_100000717761 [0,0,0,1,0,0|3,0,0]=4 506 B13R1.350 C[C@H](O)C(=O)N1CCC[C@H]1C(=O)N 240690a_100000003125_217856618621 [0,0,0,1,0,0|3,0,0]=4 507 B13R1.587 CC(C)N1CCCC(C1)CC(=O)O 269956a_100015207179_100000210206 [0,0,0,1,0,0|3,0,0]=4 508 B13R1.1080 CC(=O)CCCOCC(=O)C1CC1 34a_100000686663_100000685027 [0,0,0,1,0,0|3,0,0]=4 509 B13R1.1080 CC(=O)CCCOCC(=O)C1CC1 34a_100000759063_100000746382 [0,0,0,1,0,0|3,0,0]=4 510 B13R1.1080 CC(=O)CCCOCC(=O)C1CC1 7a_100000759063_100000746382 [0,0,0,1,0,0|3,0,0]=4 511 B13R1.1080 CC(=O)CCCSCC(=O)C1CC1 62a_100000746382_100011215641 [0,0,0,1,0,0|3,0,0]=4 512 B13R1.1080 CC(=O)CCCSCC(=O)C1CC1 62a_100011215641_100000746382 [0,0,0,1,0,0|3,0,0]=4 513 B13R1.1080 CC(=O)OCCCCC(=O)C1CC1 1458a_100000210395_100000033659 [0,0,0,1,0,0|3,0,0]=4 514 B13R1.1080 CC(=O)OCCCCC(=O)C1CO1 1458a_100000701028_100000033659 [0,0,0,1,0,0|3,0,0]=4 515 B13R1.1080 CC(=O)SCCCCC(=O)C1CC1 1458a_100000210395_200010402107 [0,0,0,1,0,0|3,0,0]=4 516 B13R1.1080 CC(=O)SCCCCC(=O)C1CO1 1458a_100000701028_200010402107 [0,0,0,1,0,0|3,0,0]=4 517 B13R1.1080 NC(=O)CCCCCC(=O)C1CC1 1458a_100000210395_100009817443 [0,0,0,1,0,0|2,0,0]=3 518 B13R1.1080 NC(=O)CCCCCC(=O)C1CO1 1458a_100000701028_100009817443 [0,0,0,1,0,0|2,0,0]=3 519 B13R1.1080 NC(=O)CCCCNC(=O)C1CC1 11a_100000696515_100000210395 [0,0,0,1,0,0|3,0,0]=4 520 B13R1.1080 NC(=O)CCCCNC(=O)C1CC1 1626a_100000696515_100000210395 [0,0,0,1,0,0|3,0,0]=4 521 B13R1.1080 NC(=O)CCCCNC(=O)C1CC1 240690a_100000696515_100000210395 [0,0,0,1,0,0|3,0,0]=4 522 B13R1.1080 NC(=O)CCCCNC(=O)C1CC1 527a_100000696515_100000210395 [0,0,0,1,0,0|3,0,0]=4 523 B13R1.1080 NC(=O)CCCCNC(=O)C1CO1 11a_100000696515_100000701028 [0,0,0,1,0,0|3,0,0]=4 524 B13R1.1080 NC(=O)CCCCNC(=O)C1CO1 1626a_100000696515_100000701028 [0,0,0,1,0,0|3,0,0]=4 525 B13R1.1080 NC(=O)CCCCNC(=O)C1CO1 240690a_100000696515_100000701028 [0,0,0,1,0,0|3,0,0]=4 526 B13R1.1080 NC(=O)CCCCNC(=O)C1CO1 527a_100000696515_100000701028 [0,0,0,1,0,0|3,0,0]=4 527 B13R1.1080 NC(=O)CCCNCC(=O)C1CC1 34a_100000739312_100000746382 [0,0,0,1,0,0|3,0,0]=4 528 B13R1.1080 NC(=O)CCCOCC(=O)C1CC1 34a_100000686663_100102525003 [0,0,0,1,0,0|3,0,0]=4 529 B13R1.1080 NC(=O)CCCSCC(=O)C1CC1 62a_100000746382_100102525003 [0,0,0,1,0,0|3,0,0]=4 530 B13R1.1080 NC(=O)CCCSCC(=O)C1CC1 62a_100102525003_100000746382 [0,0,0,1,0,0|3,0,0]=4 531 B13R1.1080 O=C(CCCCCB(O)O)C1CC1 1458a_100000210395_200009817188 [0,0,0,1,0,0|2,0,1]=4 532 B13R1.1080 O=C(CCCCCB(O)O)C1CO1 1458a_100000701028_200009817188 [0,0,0,1,0,0|2,0,1]=4 533 B13R1.1081 CC(=O)C(=O)CN1CCC1C(=O)O 269956a_100000021838_100011261029 [0,0,0,1,0,0|2,0,1]=4 534 B13R1.1081 CC(C)C(=O)CN1CCC1C(=O)O 269956a_100000021838_100000753385 [0,0,0,1,0,0|2,0,0]=3 535 B13R1.1081 CN(C)C(=O)CN1CCC1C(=O)O 269956a_100000021838_100000692301 [0,0,0,1,0,0|3,0,0]=4 536 B13R1.3425 CC(C)C(=O)CCC1COS(=O)O1 1458a_100000210198_100009840081 [0,0,0,1,0,0|3,0,0]=4 537 B13R1.3425 CC(C)C(=O)COC1CCC(=O)C1 34a_100012614533_100000753385 [0,0,0,1,0,0|3,0,0]=4 538 B13R1.3425 CC(C)C(=O)CSC1COC(=O)O1 62a_100000753385_100000032252 [0,0,0,1,0,0|3,0,0]=4 539 B13R1.3425 CC(C)C(=O)NC[C@H]1CCC(=O)N1 11a_100015423886_100000210198 [0,0,0,1,0,0|3,0,0]=4 540 B13R1.3425 CC(C)C(=O)NC[C@H]1CCC(=O)N1 1626a_100015423886_100000210198 [0,0,0,1,0,0|3,0,0]=4 541 B13R1.3425 CC(C)C(=O)NC[C@H]1CCC(=O)N1 240690a_100015423886_100000210198 [0,0,0,1,0,0|3,0,0]=4 542 B13R1.3425 CC(C)C(=O)NC[C@H]1CCC(=O)N1 527a_100015423886_100000210198 [0,0,0,1,0,0|3,0,0]=4 543 B13R1.3425 CC(F)C(=O)CCC1COS(=O)O1 1458a_100000062450_100009840081 [0,0,0,1,0,0|3,0,0]=4 544 B13R1.3425 CC(F)C(=O)NC[C@H]1CCC(=O)N1 11a_100015423886_100000062450 [0,0,0,1,0,0|3,0,0]=4 545 B13R1.3425 CC(F)C(=O)NC[C@H]1CCC(=O)N1 1626a_100015423886_100000062450 [0,0,0,1,0,0|3,0,0]=4 546 B13R1.3425 CC(F)C(=O)NC[C@H]1CCC(=O)N1 240690a_100015423886_100000062450 [0,0,0,1,0,0|3,0,0]=4 547 B13R1.3425 CC(F)C(=O)NC[C@H]1CCC(=O)N1 527a_100015423886_100000062450 [0,0,0,1,0,0|3,0,0]=4 548 B13R1.3425 C[C@@H](O)C(=O)CCC1COS(=O)O1 1458a_100000717761_100009840081 [0,0,0,1,0,0|3,0,0]=4 549 B13R1.3425 C[C@@H](O)C(=O)NC[C@H]1CCC(=O)N1 240690a_100015423886_100000717761 [0,0,0,1,0,0|3,0,0]=4 550 B13R1.3425 C[C@H](O)C(=O)CCC1COS(=O)O1 1458a_217856618621_100009840081 [0,0,0,1,0,0|3,0,0]=4 551 B13R1.3425 C[C@H](O)C(=O)NC[C@H]1CCC(=O)N1 1626a_100015423886_217856618621 [0,0,0,1,0,0|3,0,0]=4 552 B13R1.3425 C[C@H](O)C(=O)NC[C@H]1CCC(=O)N1 240690a_100015423886_217856618621 [0,0,0,1,0,0|3,0,0]=4 553 B11R0.29 C=C(C)C(=O)CCCCC(=O)C 1458a_100000185857_100000735457 [0,0,0,0,1,0|2,0,1]=4 554 B11R0.29 CC(=O)CCCCC(=O)C(C)C 1458a_100000210198_100000735457 [0,0,0,0,1,0|2,0,0]=3 555 B11R0.29 CC(=O)CCCCC(=O)C(C)F 1458a_100000062450_100000735457 [0,0,0,0,1,0|2,0,0]=3 556 B11R0.29 CC(=O)CCCCC(=O)C(O)O 1458a_100000233687_100000735457 [0,0,0,0,1,0|3,0,0]=4 557 B11R0.29 CC(=O)CCCCC(=O)N(C)C 1458a_100000070787_100000752486 [0,0,0,0,1,0|3,0,0]=4 558 B11R0.29 CC(=O)CCCCC(=O)[C@@H](C)O 1458a_100000717761_100000735457 [0,0,0,0,1,0|2,0,0]=3 559 B11R0.29 CC(=O)CCCCC(=O)[C@H](C)O 1458a_217856618621_100000735457 [0,0,0,0,1,0|2,0,0]=3 560 B11R0.29 CC(=O)CCOCC(=O)C(C)C 34a_100000759926_100000753385 [0,0,0,0,1,0|3,0,0]=4 561 B11R0.29 CC(=O)CCOCC(=O)C(C)C 7a_100000759926_100000753385 [0,0,0,0,1,0|3,0,0]=4 562 B11R0.29 CC(=O)CCSCC(=O)C(C)C 62a_100000053229_100000753385 [0,0,0,0,1,0|3,0,0]=4 563 B11R0.29 CC(=O)CCSCC(=O)C(C)C 62a_100000753385_100000053229 [0,0,0,0,1,0|3,0,0]=4 564 B11R0.29 CC(=O)NCCCC(=O)C(C)C 1458a_100000194741_100000210206 [0,0,0,0,1,0|3,0,0]=4 565 B11R0.29 CC(=O)OCCCC(=O)C(C)C 1458a_100000210198_100000042594 [0,0,0,0,1,0|3,0,0]=4 566 B11R0.29 CC(=O)OCCCC(=O)C(C)F 1458a_100000062450_100000042594 [0,0,0,0,1,0|3,0,0]=4 567 B11R0.29 CC(=O)OCCCC(=O)[C@@H](C)O 1458a_100000717761_100000042594 [0,0,0,0,1,0|3,0,0]=4 568 B11R0.29 CC(=O)OCCCC(=O)[C@H](C)O 1458a_217856618621_100000042594 [0,0,0,0,1,0|3,0,0]=4 569 B11R0.29 CC(=O)SCCCC(=O)C(C)C 1458a_100000210198_100000038929 [0,0,0,0,1,0|3,0,0]=4 570 B11R0.29 CC(=O)SCCCC(=O)C(C)F 1458a_100000062450_100000038929 [0,0,0,0,1,0|3,0,0]=4 571 B11R0.29 CC(=O)SCCCC(=O)[C@@H](C)O 1458a_100000717761_100000038929 [0,0,0,0,1,0|3,0,0]=4 572 B11R0.29 CC(=O)SCCCC(=O)[C@H](C)O 1458a_217856618621_100000038929 [0,0,0,0,1,0|3,0,0]=4 573 B11R0.29 CC(C)C(=O)CCCCB(O)O 1458a_100000210198_200009817182 [0,0,0,0,1,0|2,0,1]=4 574 B11R0.29 CC(C)C(=O)CCOCC(=O)N 1458a_100000210198_100000076697 [0,0,0,0,1,0|3,0,0]=4 575 B11R0.29 CC(C)C(=O)CCSCC(=O)N 1458a_100000148550_100000210206 [0,0,0,0,1,0|3,0,0]=4 576 B11R0.29 CC(C)C(=O)CNOCC(=O)O 269956a_100000106656_100000753385 [0,0,0,0,1,0|3,0,0]=4 577 B11R0.29 CC(C)C(=O)COCCC(=O)N 34a_100000757172_100000753385 [0,0,0,0,1,0|3,0,0]=4 578 B11R0.29 CC(C)C(=O)COCCC(=O)N 7a_100000757172_100000753385 [0,0,0,0,1,0|3,0,0]=4 579 B11R0.29 CC(C)C(=O)CSCCC(=O)N 62a_100000744528_100000753385 [0,0,0,0,1,0|3,0,0]=4 580 B11R0.29 CC(C)C(=O)CSCCC(=O)N 62a_100000753385_100000744528 [0,0,0,0,1,0|3,0,0]=4 581 B11R0.29 CC(C)C(=O)NCCCC(=O)N 240690a_100000739312_100000210198 [0,0,0,0,1,0|3,0,0]=4 582 B11R0.29 CC(C)C(=O)NCCCC(=O)N 527a_100000739312_100000210198 [0,0,0,0,1,0|3,0,0]=4 583 B11R0.29 CC(F)C(=O)CCCCB(O)O 1458a_100000062450_200009817182 [0,0,0,0,1,0|2,0,1]=4 584 B11R0.29 CC(F)C(=O)CCOCC(=O)N 1458a_100000062450_100000076697 [0,0,0,0,1,0|3,0,0]=4 585 B11R0.29 CC(F)C(=O)NCCCC(=O)N 240690a_100000739312_100000062450 [0,0,0,0,1,0|3,0,0]=4 586 B11R0.29 CC(F)C(=O)NCCCC(=O)N 527a_100000739312_100000062450 [0,0,0,0,1,0|3,0,0]=4 587 B11R0.29 CN(C)C(=O)CCNCC(=O)O 269956a_100016091260_100000737620 [0,0,0,0,1,0|3,0,0]=4 588 B11R0.29 C[C@@H](O)C(=O)CCCCB(O)O 1458a_100000717761_200009817182 [0,0,0,0,1,0|2,0,1]=4 589 B11R0.29 C[C@@H](O)C(=O)CCOCC(=O)N 1458a_100000717761_100000076697 [0,0,0,0,1,0|3,0,0]=4 590 B11R0.29 C[C@@H](O)C(=O)NCCCC(=O)N 240690a_100000739312_100000717761 [0,0,0,0,1,0|3,0,0]=4 591 B11R0.29 C[C@H](O)C(=O)CCCCB(O)O 1458a_217856618621_200009817182 [0,0,0,0,1,0|2,0,1]=4 592 B11R0.29 C[C@H](O)C(=O)CCOCC(=O)N 1458a_217856618621_100000076697 [0,0,0,0,1,0|3,0,0]=4 593 B11R0.29 C[C@H](O)C(=O)NCCCC(=O)N 240690a_100000739312_217856618621 [0,0,0,0,1,0|3,0,0]=4 594 B13R0.178 CC(=CC(=O)CCCCCC(=O)N)C 1458a_100000211388_100009817443 [0,0,0,0,0,1|2,0,1]=4 595 B13R0.178 CC(=CC(=O)CCCCCC(=O)N)Cl 1458a_200042562850_100009817443 [0,0,0,0,0,1|2,0,1]=4 596 B13R0.178 CC(=CC(=O)CCCCCC(=O)N)I 1458a_100025716642_100009817443 [0,0,0,0,0,1|2,0,1]=4 597 B13R0.178 CC(=O)CCCCCC(=O)OC(C)C 1458a_100000070787_200010986244 [0,0,0,0,0,1|2,0,0]=3 598 B13R0.178 CC(=O)CCCOCC(=O)NC(C)C 34a_100000759063_100000183996 [0,0,0,0,0,1|3,0,0]=4 599 B13R0.178 CC(=O)CCCOCC(=O)NC(C)C 7a_100000759063_100000183996 [0,0,0,0,0,1|3,0,0]=4 600 B13R0.178 CC(=O)CCCOCC(=O)OC(C)C 34a_100000759063_100011215430 [0,0,0,0,0,1|3,0,0]=4 601 B13R0.178 CC(=O)CCCOCC(=O)OC(C)C 7a_100000759063_100011215430 [0,0,0,0,0,1|3,0,0]=4 602 B13R0.178 CC(=O)CCCSCC(=O)NC(C)C 62a_100000183996_100011215641 [0,0,0,0,0,1|3,0,0]=4 603 B13R0.178 CC(=O)CCCSCC(=O)NC(C)C 62a_100011215641_100000183996 [0,0,0,0,0,1|3,0,0]=4 604 B13R0.178 CC(=O)CCCSCC(=O)OC(C)C 62a_100011215430_100011215641 [0,0,0,0,0,1|3,0,0]=4 605 B13R0.178 CC(=O)CCCSCC(=O)OC(C)C 62a_100011215641_100011215430 [0,0,0,0,0,1|3,0,0]=4 606 B13R0.178 CC(=O)CCOCCC(=O)NC(C)C 7a_100000759926_100000737564 [0,0,0,0,0,1|3,0,0]=4 607 B13R0.178 CC(=O)CCOCCC(=O)OC(C)C 7a_100000759926_100000760027 [0,0,0,0,0,1|3,0,0]=4 608 B13R0.178 CC(=O)CCSCCC(=O)NC(C)C 62a_100000053229_100000737564 [0,0,0,0,0,1|3,0,0]=4 609 B13R0.178 CC(=O)CCSCCC(=O)NC(C)C 62a_100000737564_100000053229 [0,0,0,0,0,1|3,0,0]=4 610 B13R0.178 CC(=O)CCSCCC(=O)OC(C)C 62a_100000053229_100000760027 [0,0,0,0,0,1|3,0,0]=4 611 B13R0.178 CC(=O)CCSCCC(=O)OC(C)C 62a_100000760027_100000053229 [0,0,0,0,0,1|3,0,0]=4 612 B13R0.178 CC(=O)OCCCCC(=O)CC(C)C 1458a_100000210554_100000033659 [0,0,0,0,0,1|3,0,0]=4 613 B13R0.178 CC(=O)OCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000033659 [0,0,0,0,0,1|3,0,0]=4 614 B13R0.178 CC(=O)SCCCCC(=O)CC(C)C 1458a_100000210554_200010402107 [0,0,0,0,0,1|3,0,0]=4 615 B13R0.178 CC(=O)SCCCCC(=O)C[C@@H](C)O 1458a_100011933948_200010402107 [0,0,0,0,0,1|3,0,0]=4 616 B13R0.178 CC(C)CC(=O)CCCCCB(O)O 1458a_100000210554_200009817188 [0,0,0,0,0,1|2,0,1]=4 617 B13R0.178 CC(C)CC(=O)CCCCCC(=O)N 1458a_100000210554_100009817443 [0,0,0,0,0,1|2,0,0]=3 618 B13R0.178 CC(C)CC(=O)CCCCC[N+](=O)[O-] 1458a_100000043470_100000210624 [0,0,0,0,0,1|2,0,1]=4 619 B13R0.178 CC(C)CC(=O)NCCCCC(=O)N 11a_100000696515_100000210554 [0,0,0,0,0,1|3,0,0]=4 620 B13R0.178 CC(C)CC(=O)NCCCCC(=O)N 1626a_100000696515_100000210554 [0,0,0,0,0,1|3,0,0]=4 621 B13R0.178 CC(C)CC(=O)NCCCCC(=O)N 240690a_100000696515_100000210554 [0,0,0,0,0,1|3,0,0]=4 622 B13R0.178 CC(C)CC(=O)NCCCCC(=O)N 527a_100000696515_100000210554 [0,0,0,0,0,1|3,0,0]=4 623 B13R0.178 CC(C)NC(=O)CCCCC[N+](=O)[O-] 11a_100138425928_100000043470 [0,0,0,0,0,1|2,0,1]=4 624 B13R0.178 CC(C)NC(=O)CCCCC[N+](=O)[O-] 1626a_100138425928_100000043470 [0,0,0,0,0,1|2,0,1]=4 625 B13R0.178 CC(C)NC(=O)CCCCC[N+](=O)[O-] 240690a_100138425928_100000043470 [0,0,0,0,0,1|2,0,1]=4 626 B13R0.178 CC(C)NC(=O)CCCCC[N+](=O)[O-] 527a_100138425928_100000043470 [0,0,0,0,0,1|2,0,1]=4 627 B13R0.178 CC(C)NC(=O)CCNOCC(=O)O 269956a_100000106656_100000737564 [0,0,0,0,0,1|3,0,0]=4 628 B13R0.178 CC(C)NC(=O)CCOCCC(=O)N 7a_100000757172_100000737564 [0,0,0,0,0,1|3,0,0]=4 629 B13R0.178 CC(C)NC(=O)CCSCCC(=O)N 62a_100000737564_100000744528 [0,0,0,0,0,1|3,0,0]=4 630 B13R0.178 CC(C)NC(=O)CCSCCC(=O)N 62a_100000744528_100000737564 [0,0,0,0,0,1|3,0,0]=4 631 B13R0.178 CC(C)NC(=O)CNCCCC(=O)N 34a_100000739312_100000183996 [0,0,0,0,0,1|3,0,0]=4 632 B13R0.178 CC(C)NC(=O)CSCCCC(=O)N 62a_100000183996_100102525003 [0,0,0,0,0,1|3,0,0]=4 633 B13R0.178 CC(C)NC(=O)CSCCCC(=O)N 62a_100102525003_100000183996 [0,0,0,0,0,1|3,0,0]=4 634 B13R0.178 CC(C)NC(=O)NCCCCC(=O)N 273464a_100138425928_100000696515 [0,0,0,0,0,1|3,0,0]=4 635 B13R0.178 CC(C)NC(=O)NCCCCC(=O)N 512a_100000696515_100138425928 [0,0,0,0,0,1|3,0,0]=4 636 B13R0.178 CC(C)NC(=O)NCCCCC(=O)N 512a_100138425928_100000696515 [0,0,0,0,0,1|3,0,0]=4 637 B13R0.178 CC(C)OC(=O)CCNOCC(=O)O 269956a_100000106656_100000760027 [0,0,0,0,0,1|3,0,0]=4 638 B13R0.178 CC(C)OC(=O)CCOCCC(=O)N 7a_100000757172_100000760027 [0,0,0,0,0,1|3,0,0]=4 639 B13R0.178 CC(C)OC(=O)CCSCCC(=O)N 62a_100000744528_100000760027 [0,0,0,0,0,1|3,0,0]=4 640 B13R0.178 CC(C)OC(=O)CCSCCC(=O)N 62a_100000760027_100000744528 [0,0,0,0,0,1|3,0,0]=4 641 B13R0.178 CC(C)OC(=O)CNCCCC(=O)N 34a_100000739312_100011215430 [0,0,0,0,0,1|3,0,0]=4 642 B13R0.178 CC(C)OC(=O)CSCCCC(=O)N 62a_100011215430_100102525003 [0,0,0,0,0,1|3,0,0]=4 643 B13R0.178 CC(C)OC(=O)CSCCCC(=O)N 62a_100102525003_100011215430 [0,0,0,0,0,1|3,0,0]=4 644 B13R0.178 CC(O)CC(=O)CCCCC[N+](=O)[O-] 1458a_100000043470_100011218427 [0,0,0,0,0,1|2,0,1]=4 645 B13R0.178 CN(C)CC(=O)CCCCCC(=O)N 1458a_100000750896_100009817443 [0,0,0,0,0,1|3,0,0]=4 646 B13R0.178 C[C@@H](O)CC(=O)CCCCCB(O)O 1458a_100011933948_200009817188 [0,0,0,0,0,1|2,0,1]=4 647 B13R0.178 C[C@@H](O)CC(=O)CCCCCC(=O)N 1458a_100011933948_100009817443 [0,0,0,0,0,1|2,0,0]=3 648 B13R0.178 C[C@@H](O)CC(=O)NCCCCC(=O)N 240690a_100000696515_100011933948 [0,0,0,0,0,1|3,0,0]=4 649 B13R0.178 C[S+](C)CC(=O)CCCCCC(=O)N 1458a_200159257847_100009817443 [0,0,0,0,0,1|3,0,0]=4 650 B13R0.178 NC(=O)CCCCCC(=O)CC(=O)N 1458a_100134613110_100009817443 [0,0,0,0,0,1|2,0,1]=4 651 B13R0.180 C=C(C)C(=O)CCCCCOC(=O)C 1458a_100000185857_100000033007 [0,0,0,0,0,1|2,0,1]=4 652 B13R0.180 CC(=O)C(=O)CNCCCCC(=O)N 34a_100000696515_100011261029 [0,0,0,0,0,1|2,0,1]=4 653 B13R0.180 CC(=O)C(=O)CNCCOCC(=O)O 269956a_100000700818_100011261029 [0,0,0,0,0,1|2,0,1]=4 654 B13R0.180 CC(=O)C(=O)COCCCCC(=O)N 34a_100012022536_100011261029 [0,0,0,0,0,1|2,0,1]=4 655 B13R0.180 CC(=O)CCCCSCC(=O)C(=O)C 62a_100000735457_100011261029 [0,0,0,0,0,1|2,0,1]=4 656 B13R0.180 CC(=O)CCCCSCC(=O)C(=O)C 62a_100011261029_100000735457 [0,0,0,0,0,1|2,0,1]=4 657 B13R0.180 CC(=O)CCCCSCC(=O)C(C)C 62a_100000735457_100000753385 [0,0,0,0,0,1|2,0,0]=3 658 B13R0.180 CC(=O)CCCCSCC(=O)C(C)C 62a_100000753385_100000735457 [0,0,0,0,0,1|2,0,0]=3 659 B13R0.180 CC(=O)CCCCSCC(=O)N(C)C 62a_100000692301_100000735457 [0,0,0,0,0,1|3,0,0]=4 660 B13R0.180 CC(=O)CCCCSCC(=O)N(C)C 62a_100000735457_100000692301 [0,0,0,0,0,1|3,0,0]=4 661 B13R0.180 CC(=O)CCCOCCC(=O)N(C)C 34a_200000747469_100000685027 [0,0,0,0,0,1|3,0,0]=4 662 B13R0.180 CC(=O)CCCOCCC(=O)N(C)C 7a_100000759063_100000737620 [0,0,0,0,0,1|3,0,0]=4 663 B13R0.180 CC(=O)CCCSCCC(=O)N(C)C 62a_100000737620_100011215641 [0,0,0,0,0,1|3,0,0]=4 664 B13R0.180 CC(=O)CCCSCCC(=O)N(C)C 62a_100011215641_100000737620 [0,0,0,0,0,1|3,0,0]=4 665 B13R0.180 CC(=O)CCCSCOC(=O)C(C)C 62a_100000139345_100011215641 [0,0,0,0,0,1|3,0,0]=4 666 B13R0.180 CC(=O)CCCSCOC(=O)C(C)C 62a_100011215641_100000139345 [0,0,0,0,0,1|3,0,0]=4 667 B13R0.180 CC(=O)CCOCCCC(=O)N(C)C 7a_100000759926_100000737642 [0,0,0,0,0,1|3,0,0]=4 668 B13R0.180 CC(=O)CCSCCCC(=O)N(C)C 62a_100000053229_100000737642 [0,0,0,0,0,1|3,0,0]=4 669 B13R0.180 CC(=O)CCSCCCC(=O)N(C)C 62a_100000737642_100000053229 [0,0,0,0,0,1|3,0,0]=4 670 B13R0.180 CC(=O)COCCCCC(=O)N(C)C 34a_100000211253_100000752486 [0,0,0,0,0,1|3,0,0]=4 671 B13R0.180 CC(=O)NCCCCCC(=O)C(C)C 1458a_100000183861_100000210206 [0,0,0,0,0,1|2,0,0]=3 672 B13R0.180 CC(=O)NCCCCCC(=O)N(C)C 11a_100102631434_100000183861 [0,0,0,0,0,1|3,0,0]=4 673 B13R0.180 CC(=O)NCCCCCC(=O)N(C)C 1626a_100102631434_100000183861 [0,0,0,0,0,1|3,0,0]=4 674 B13R0.180 CC(=O)NCCCCCC(=O)N(C)C 240690a_100102631434_100000183861 [0,0,0,0,0,1|3,0,0]=4 675 B13R0.180 CC(=O)NCCCCNC(=O)C(C)C 11a_200011368371_100000210198 [0,0,0,0,0,1|3,0,0]=4 676 B13R0.180 CC(=O)NCCCCNC(=O)C(C)C 1626a_200011368371_100000210198 [0,0,0,0,0,1|3,0,0]=4 677 B13R0.180 CC(=O)NCCCCNC(=O)C(C)C 240690a_200011368371_100000210198 [0,0,0,0,0,1|3,0,0]=4 678 B13R0.180 CC(=O)NCCCCNC(=O)C(C)C 527a_200011368371_100000210198 [0,0,0,0,0,1|3,0,0]=4 679 B13R0.180 CC(=O)NCCCCNC(=O)C(C)F 11a_200011368371_100000062450 [0,0,0,0,0,1|3,0,0]=4 680 B13R0.180 CC(=O)NCCCCNC(=O)C(C)F 1626a_200011368371_100000062450 [0,0,0,0,0,1|3,0,0]=4 681 B13R0.180 CC(=O)NCCCCNC(=O)C(C)F 240690a_200011368371_100000062450 [0,0,0,0,0,1|3,0,0]=4 682 B13R0.180 CC(=O)NCCCCNC(=O)C(C)F 527a_200011368371_100000062450 [0,0,0,0,0,1|3,0,0]=4 683 B13R0.180 CC(=O)NCCCCNC(=O)[C@@H](C)O 240690a_200011368371_100000717761 [0,0,0,0,0,1|3,0,0]=4 684 B13R0.180 CC(=O)NCCCCNC(=O)[C@H](C)O 1626a_200011368371_217856618621 [0,0,0,0,0,1|3,0,0]=4 685 B13R0.180 CC(=O)NCCCCNC(=O)[C@H](C)O 240690a_200011368371_217856618621 [0,0,0,0,0,1|3,0,0]=4 686 B13R0.180 CC(=O)NCCCNCC(=O)C(C)C 34a_100000736810_100000753385 [0,0,0,0,0,1|3,0,0]=4 687 B13R0.180 CC(=O)NCCCOCC(=O)C(C)C 34a_100000752032_100000753385 [0,0,0,0,0,1|3,0,0]=4 688 B13R0.180 CC(=O)OCCCCCC(=O)C(C)C 1458a_100000210198_100000033007 [0,0,0,0,0,1|2,0,0]=3 689 B13R0.180 CC(=O)OCCCCCC(=O)C(C)F 1458a_100000062450_100000033007 [0,0,0,0,0,1|2,0,0]=3 690 B13R0.180 CC(=O)OCCCCCC(=O)C(O)O 1458a_100000233687_100000033007 [0,0,0,0,0,1|3,0,0]=4 691 B13R0.180 CC(=O)OCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000033007 [0,0,0,0,0,1|2,0,0]=3 692 B13R0.180 CC(=O)OCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000033007 [0,0,0,0,0,1|2,0,0]=3 693 B13R0.180 CC(=O)OCCCSCC(=O)C(C)C 62a_100000042594_100000753385 [0,0,0,0,0,1|3,0,0]=4 694 B13R0.180 CC(=O)OCCCSCC(=O)C(C)C 62a_100000753385_100000042594 [0,0,0,0,0,1|3,0,0]=4 695 B13R0.180 CC(=O)OCCOCCC(=O)C(C)C 1458a_100000210198_200000083610 [0,0,0,0,0,1|3,0,0]=4 696 B13R0.180 CC(=O)OCCOCCC(=O)C(C)F 1458a_100000062450_200000083610 [0,0,0,0,0,1|3,0,0]=4 697 B13R0.180 CC(=O)OCCOCCC(=O)[C@@H](C)O 1458a_100000717761_200000083610 [0,0,0,0,0,1|3,0,0]=4 698 B13R0.180 CC(=O)OCCOCCC(=O)[C@H](C)O 1458a_217856618621_200000083610 [0,0,0,0,0,1|3,0,0]=4 699 B13R0.180 CC(=O)SCCCSCC(=O)C(C)C 62a_100000038929_100000753385 [0,0,0,0,0,1|3,0,0]=4 700 B13R0.180 CC(=O)SCCCSCC(=O)C(C)C 62a_100000753385_100000038929 [0,0,0,0,0,1|3,0,0]=4 701 B13R0.180 CC(C)C(=O)CCCCCCB(O)O 1458a_100000210198_100009817187 [0,0,0,0,0,1|2,0,1]=4 702 B13R0.180 CC(C)C(=O)CNCCCCC(=O)N 34a_100000696515_100000753385 [0,0,0,0,0,1|2,0,0]=3 703 B13R0.180 CC(C)C(=O)CNCCOCC(=O)O 269956a_100000700818_100000753385 [0,0,0,0,0,1|2,0,0]=3 704 B13R0.180 CC(C)C(=O)COCCCCC(=O)N 34a_100012022536_100000753385 [0,0,0,0,0,1|2,0,0]=3 705 B13R0.180 CC(C)C(=O)COCCCCC(=O)N 7a_100012022536_100000753385 [0,0,0,0,0,1|2,0,0]=3 706 B13R0.180 CC(C)C(=O)COCCCC[N+](=O)[O-] 34a_200015379883_100000753385 [0,0,0,0,0,1|2,0,1]=4 707 B13R0.180 CC(C)C(=O)COCCCC[N+](=O)[O-] 7a_200015379883_100000753385 [0,0,0,0,0,1|2,0,1]=4 708 B13R0.180 CC(C)C(=O)CSCCCCB(O)O 62a_100000753385_200009817182 [0,0,0,0,0,1|2,0,1]=4 709 B13R0.180 CC(C)C(=O)CSCCCCB(O)O 62a_200009817182_100000753385 [0,0,0,0,0,1|2,0,1]=4 710 B13R0.180 CC(C)C(=O)CSCCOCC(=O)N 62a_100000076697_100000753385 [0,0,0,0,0,1|3,0,0]=4 711 B13R0.180 CC(C)C(=O)CSCCOCC(=O)N 62a_100000753385_100000076697 [0,0,0,0,0,1|3,0,0]=4 712 B13R0.180 CC(C)C(=O)NCCNCCC(=O)N 2230a_100000752568_100000744528 [0,0,0,0,0,1|3,0,0]=4 713 B13R0.180 CC(C)C(=O)NCCNCCC(=O)N 34a_100000752568_100000731001 [0,0,0,0,0,1|3,0,0]=4 714 B13R0.180 CC(C)C(=O)OCSCCCC(=O)N 62a_100000139345_100102525003 [0,0,0,0,0,1|3,0,0]=4 715 B13R0.180 CC(C)C(=O)OCSCCCC(=O)N 62a_100102525003_100000139345 [0,0,0,0,0,1|3,0,0]=4 716 B13R0.180 CC(F)C(=O)CCCCCCB(O)O 1458a_100000062450_100009817187 [0,0,0,0,0,1|2,0,1]=4 717 B13R0.180 CN(C)C(=O)CCCCNCC(=O)O 269956a_100016091260_100000752486 [0,0,0,0,0,1|2,0,0]=3 718 B13R0.180 CN(C)C(=O)CCCCSCC(=O)N 62a_100000747473_100000752486 [0,0,0,0,0,1|3,0,0]=4 719 B13R0.180 CN(C)C(=O)CCCCSCC(=O)N 62a_100000752486_100000747473 [0,0,0,0,0,1|3,0,0]=4 720 B13R0.180 CN(C)C(=O)CCCCSCC(=O)[O-] 62a_100000752486_100020667443 [0,0,0,0,0,1|2,0,1]=4 721 B13R0.180 CN(C)C(=O)CCCCSCC(=O)[O-] 62a_100020667443_100000752486 [0,0,0,0,0,1|2,0,1]=4 722 B13R0.180 CN(C)C(=O)CCCNCCC(=O)N 2230a_200000744827_100000744528 [0,0,0,0,0,1|3,0,0]=4 723 B13R0.180 CN(C)C(=O)CCCNOCC(=O)O 269956a_100000106656_100000737642 [0,0,0,0,0,1|3,0,0]=4 724 B13R0.180 CN(C)C(=O)CCCOCCC(=O)N 7a_100000757172_100000737642 [0,0,0,0,0,1|3,0,0]=4 725 B13R0.180 CN(C)C(=O)CCCSCCC(=O)N 62a_100000737642_100000744528 [0,0,0,0,0,1|3,0,0]=4 726 B13R0.180 CN(C)C(=O)CCCSCCC(=O)N 62a_100000744528_100000737642 [0,0,0,0,0,1|3,0,0]=4 727 B13R0.180 CN(C)C(=O)CCOCCCC(=O)N 34a_200000747469_100102525003 [0,0,0,0,0,1|3,0,0]=4 728 B13R0.180 CN(C)C(=O)CCSCCCC(=O)N 62a_100000737620_100102525003 [0,0,0,0,0,1|3,0,0]=4 729 B13R0.180 CN(C)C(=O)CCSCCCC(=O)N 62a_100102525003_100000737620 [0,0,0,0,0,1|3,0,0]=4 730 B13R0.180 CN(C)C(=O)CNCCCCC(=O)N 34a_100000696515_100000692301 [0,0,0,0,0,1|3,0,0]=4 731 B13R0.180 CN(C)C(=O)CNCCOCC(=O)O 269956a_100000700818_100000692301 [0,0,0,0,0,1|3,0,0]=4 732 B13R0.180 CN(C)C(=O)COCCCCC(=O)N 34a_100012022536_100000692301 [0,0,0,0,0,1|3,0,0]=4 733 B13R0.180 CN(C)C(=O)COCCCCC(=O)N 7a_100012022536_100000692301 [0,0,0,0,0,1|3,0,0]=4 734 B13R0.180 C[C@@H](O)C(=O)CCCCCCB(O)O 1458a_100000717761_100009817187 [0,0,0,0,0,1|2,0,1]=4 735 B13R0.180 C[C@H](O)C(=O)CCCCCCB(O)O 1458a_217856618621_100009817187 [0,0,0,0,0,1|2,0,1]=4 736 B10R0.4 CC(C)NCCCCCC=O 2230a_100138425928_100000139337 [2,0,0,0,0,0|2,0,0]=4 737 B10R0.4 CC(C)SCCCCCC=O 62a_100000139337_100000210206 [2,0,0,0,0,0|2,0,0]=4 738 B10R0.4 CC(C)SCCCCCC=O 62a_100000210206_100000139337 [2,0,0,0,0,0|2,0,0]=4 739 B10R0.4 CC/C=C\CCNCC(=O)O 269956a_100016091260_100015370543 [2,0,0,0,0,0|1,0,1]=4 740 B10R0.4 CCCCCCCCC(=O)C 1458a_100000070787_100000210759 [2,0,0,0,0,0|1,0,1]=4 741 B10R0.4 CCCCCCCCC(=O)C 1458a_100000210188_200000210301 [2,0,0,0,0,0|1,0,1]=4 742 B10R0.4 CCCCCCCCC(=O)[13CH3] 1458a_100000210188_200025704644 [2,0,0,0,0,0|1,0,1]=4 743 B10R0.4 CCCCCCNCC(=O)O 269956a_100016091260_100000210757 [2,0,0,0,0,0|1,0,1]=4 744 B10R0.4 CCNCCCCCC(=O)N 2230a_100015525214_100009817443 [2,0,0,0,0,0|2,0,0]=4 745 B10R0.4 CCOCCCCCC(=O)N 34a_100000123541_100000210202 [2,0,0,0,0,0|2,0,0]=4 746 B10R0.4 CCOCCCCCC(=O)N 34a_100121572206_100009817443 [2,0,0,0,0,0|2,0,0]=4 747 B10R0.4 CCOCCCCCC(=O)N 7a_100000123541_100000210202 [2,0,0,0,0,0|2,0,0]=4 748 B10R0.4 CCOCCCCCC(=O)[O-] 7a_100102619762_100000210202 [2,0,0,0,0,0|1,0,1]=4 749 B10R0.4 CCOCCCNCC(=O)O 269956a_100016091260_100012232248 [2,0,0,0,0,0|2,0,0]=4 750 B10R0.4 CCSCCCCCC(=O)N 62a_100000210202_100009817443 [2,0,0,0,0,0|2,0,0]=4 751 B10R0.4 CCSCCCCCC(=O)N 62a_100009817443_100000210202 [2,0,0,0,0,0|2,0,0]=4 752 B10R0.74 C#CCCCCCC(=O)CC 1458a_100000210414_100012094781 [2,0,0,0,0,0|1,0,1]=4 753 B10R0.74 C#CCCCCCC(=O)CC 1458a_100000694772_100000210202 [2,0,0,0,0,0|1,0,1]=4 754 B10R0.74 C=CCCCCCC(=O)CC 1458a_100000210414_100000700193 [2,0,0,0,0,0|1,0,0]=3 755 B10R0.74 C=CCCCCCC(=O)CC 1458a_100011934241_100000210202 [2,0,0,0,0,0|1,0,0]=3 756 B10R0.74 C=CCCCCCC(=O)CF 1458a_100011934241_100015361967 [2,0,0,0,0,0|2,0,0]=4 757 B10R0.74 C=CCCCCCC(=O)CO 1458a_100000210174_100000700193 [2,0,0,0,0,0|2,0,0]=4 758 B10R0.74 C=CCCCCCC(=O)NC 11a_106832991635_100011934241 [2,0,0,0,0,0|2,0,0]=4 759 B10R0.74 C=CCCCCCC(=O)NC 1626a_100102657272_100011934241 [2,0,0,0,0,0|2,0,0]=4 760 B10R0.74 C=CCCCCCC(=O)NC 240690a_100102657272_100011934241 [2,0,0,0,0,0|2,0,0]=4 761 B10R0.74 C=CCCCCCC(=O)NC 527a_100102657272_100011934241 [2,0,0,0,0,0|2,0,0]=4 762 B10R0.74 C=CCCCCNC(=O)CC 11a_100000703577_100000210414 [2,0,0,0,0,0|2,0,0]=4 763 B10R0.74 C=CCCCCNC(=O)CC 1626a_100000703577_100000210414 [2,0,0,0,0,0|2,0,0]=4 764 B10R0.74 C=CCCCCNC(=O)CC 240690a_100000703577_100000210414 [2,0,0,0,0,0|2,0,0]=4 765 B10R0.74 C=CCCCCNC(=O)CC 527a_100000703577_100000210414 [2,0,0,0,0,0|2,0,0]=4 766 B10R0.74 C=CCCCOCC(=O)CC 34a_100000725409_100000757094 [2,0,0,0,0,0|2,0,0]=4 767 B10R0.74 C=CCCCOCC(=O)CC 7a_100000758997_100000747405 [2,0,0,0,0,0|2,0,0]=4 768 B10R0.74 C=CCCCSCC(=O)CC 62a_100000747405_100000757094 [2,0,0,0,0,0|2,0,0]=4 769 B10R0.74 C=CCCCSCC(=O)CC 62a_100011713584_100000747405 [2,0,0,0,0,0|2,0,0]=4 770 B10R0.74 CCC(=O)CCCCCC#N 1458a_100000210414_100009813376 [2,0,0,0,0,0|1,0,1]=4 771 B10R0.74 CCC(=O)CCCCCCF 1458a_100000210414_100015922095 [2,0,0,0,0,0|1,0,1]=4 772 B10R0.74 CCC(=O)CCCCCCO 1458a_100000210414_100000766143 [2,0,0,0,0,0|0,0,1]=3 773 B10R0.74 CCC(=O)CCCCCCO 1458a_100011996774_100000210202 [2,0,0,0,0,0|0,0,1]=3 774 B10R0.74 CCC(=O)CCCCCOC 1458a_100011935119_100000210202 [2,0,0,0,0,0|2,0,0]=4 775 B10R0.74 CCC(=O)COCCCCO 34a_100000725409_100011216708 [2,0,0,0,0,0|1,0,1]=4 776 B10R0.74 CCC(=O)CSCCCC=O 62a_100000747405_200011292268 [2,0,0,0,0,0|1,0,0]=3 777 B10R0.74 CCC(=O)CSCCCC=O 62a_200011292268_100000747405 [2,0,0,0,0,0|1,0,0]=3 778 B10R0.74 CCC(=O)CSCCCCO 62a_100000210776_100000747405 [2,0,0,0,0,0|1,0,1]=4 779 B10R0.74 CCC(=O)CSCCCCO 62a_100000747405_100000210776 [2,0,0,0,0,0|1,0,1]=4 780 B10R0.74 CCC(=O)NCCCCCO 240690a_100000762737_100000210414 [2,0,0,0,0,0|1,0,1]=4 781 B10R0.74 CCC(=O)NCCNCC=O 34a_100132302217_200009817547 [2,0,0,0,0,0|2,0,0]=4 782 B10R0.74 CCC(=O)NCCOCC=O 34a_200000158885_200009817547 [2,0,0,0,0,0|2,0,0]=4 783 B10R0.74 CCC(=O)NCCOCC=O 7a_200000158885_200015260668 [2,0,0,0,0,0|2,0,0]=4 784 B10R0.74 CCC(=O)OCCOCC=O 7a_200000031056_200015260668 [2,0,0,0,0,0|2,0,0]=4 785 B10R0.74 CCCCCCCC(=O)CC 1458a_100000210414_100000210614 [2,0,0,0,0,0|1,0,1]=4 786 B10R0.74 CCCCCCCC(=O)CC 1458a_100000211969_100000210202 [2,0,0,0,0,0|1,0,1]=4 787 B10R0.74 CCN(C)CCCCCC=O 2230a_100000225621_100000139337 [2,0,0,0,0,0|2,0,0]=4 788 B10R0.74 CCN(C)CCCCCC=O 269982a_100000225621_100000139337 [2,0,0,0,0,0|2,0,0]=4 789 B10R0.74 CNC(=O)CCCCCCO 240690a_100102657272_100011996774 [2,0,0,0,0,0|1,0,1]=4 790 B10R0.74 CNC(=O)CCCNCC=O 2230a_100000740002_200015260668 [2,0,0,0,0,0|2,0,0]=4 791 B10R0.74 CNC(=O)CCCNCC=O 34a_100000740002_200009817547 [2,0,0,0,0,0|2,0,0]=4 792 B10R0.74 CNC(=O)CCCSCC=O 62a_100000741757_200015260668 [2,0,0,0,0,0|2,0,0]=4 793 B10R0.74 CNC(=O)CCCSCC=O 62a_200015260668_100000741757 [2,0,0,0,0,0|2,0,0]=4 794 B10R0.74 CNC(=O)CNCCCC=O 2230a_100000693194_200011292268 [2,0,0,0,0,0|2,0,0]=4 795 B10R0.74 CNC(=O)CSCCCC=O 62a_100000183359_200011292268 [2,0,0,0,0,0|2,0,0]=4 796 B10R0.74 CNC(=O)CSCCCC=O 62a_200011292268_100000183359 [2,0,0,0,0,0|2,0,0]=4 797 B10R0.74 COC(=O)CCCSCC=O 62a_100011218270_200015260668 [2,0,0,0,0,0|2,0,0]=4 798 B10R0.74 COC(=O)CCCSCC=O 62a_200015260668_100011218270 [2,0,0,0,0,0|2,0,0]=4 799 B10R0.74 COC(=O)CSCCCC=O 62a_100000747449_200011292268 [2,0,0,0,0,0|2,0,0]=4 800 B10R0.74 COC(=O)CSCCCC=O 62a_200011292268_100000747449 [2,0,0,0,0,0|2,0,0]=4 801 B10R0.74 NNC(=O)CCCOCC=O 34a_100000211488_200009817547 [2,0,0,0,0,0|2,0,0]=4 802 B10R0.74 O=C(CF)CCCCCCO 1458a_100011996774_100015361967 [2,0,0,0,0,0|1,0,1]=4 803 B10R0.74 O=C(CO)CCCCCCO 1458a_100000210174_100000766143 [2,0,0,0,0,0|1,0,1]=4 804 B10R0.75 C=C(C)C(=O)CCCCCO 1458a_100000185857_100000746330 [2,0,0,0,0,0|1,0,1]=4 805 B10R0.75 C=CCCCCC(=O)C(C)C 1458a_100000210198_100011215482 [2,0,0,0,0,0|1,0,1]=4 806 B10R0.75 C=CCCCCC(=O)C(C)C 1458a_100011215552_100000210206 [2,0,0,0,0,0|1,0,1]=4 807 B10R0.75 C=CCCCCC(=O)C(C)F 1458a_100000062450_100011215482 [2,0,0,0,0,0|1,0,1]=4 808 B10R0.75 C=CCCCCC(=O)[C@@H](C)O 1458a_100000717761_100011215482 [2,0,0,0,0,0|1,0,1]=4 809 B10R0.75 C=CCCCCC(=O)[C@H](C)O 1458a_217856618621_100011215482 [2,0,0,0,0,0|1,0,1]=4 810 B10R0.75 CC(C)C(=O)CCCCCF 1458a_100000210198_100000729378 [2,0,0,0,0,0|2,0,0]=4 811 B10R0.75 CC(C)C(=O)CCCCCO 1458a_100000210198_100000746330 [2,0,0,0,0,0|1,0,0]=3 812 B10R0.75 CC(C)C(=O)CCCCCO 1458a_100102619762_100000210206 [2,0,0,0,0,0|1,0,0]=3 813 B10R0.75 CC(C)C(=O)CCOCCO 1458a_100000210198_100011215305 [2,0,0,0,0,0|2,0,0]=4 814 B10R0.75 CC(C)C(=O)CCOCCO 1458a_100011229844_100000210206 [2,0,0,0,0,0|2,0,0]=4 815 B10R0.75 CC(C)C(=O)CSCCCO 62a_100000753385_100011215043 [2,0,0,0,0,0|2,0,0]=4 816 B10R0.75 CC(C)C(=O)CSCCCO 62a_100011215043_100000753385 [2,0,0,0,0,0|2,0,0]=4 817 B10R0.75 CC(C)C(=O)NCCCCO 240690a_100000750430_100000210198 [2,0,0,0,0,0|2,0,0]=4 818 B10R0.75 CC(C)C(=O)NCCCCO 527a_100000750430_100000210198 [2,0,0,0,0,0|2,0,0]=4 819 B10R0.75 CC(F)C(=O)CCCCCF 1458a_100000062450_100000729378 [2,0,0,0,0,0|2,0,0]=4 820 B10R0.75 CC(F)C(=O)CCCCCO 1458a_100000062450_100000746330 [2,0,0,0,0,0|1,0,0]=3 821 B10R0.75 CC(F)C(=O)CCOCCO 1458a_100000062450_100011215305 [2,0,0,0,0,0|2,0,0]=4 822 B10R0.75 CC(F)C(=O)NCCCCO 240690a_100000750430_100000062450 [2,0,0,0,0,0|2,0,0]=4 823 B10R0.75 CC(F)C(=O)NCCCCO 527a_100000750430_100000062450 [2,0,0,0,0,0|2,0,0]=4 824 B10R0.75 CCCCCCC(=O)C(C)C 1458a_100000210198_100000210757 [2,0,0,0,0,0|1,0,1]=4 825 B10R0.75 CCCCCCC(=O)C(C)C 1458a_100102632555_100000210206 [2,0,0,0,0,0|1,0,1]=4 826 B10R0.75 CCCCCCC(=O)C(C)F 1458a_100000062450_100000210757 [2,0,0,0,0,0|1,0,1]=4 827 B10R0.75 CCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210757 [2,0,0,0,0,0|1,0,1]=4 828 B10R0.75 CCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210757 [2,0,0,0,0,0|1,0,1]=4 829 B10R0.75 CN(C)C(=O)CCCCCO 240690a_100102631434_100102619762 [2,0,0,0,0,0|2,0,0]=4 830 B10R0.75 C[C@@H](O)C(=O)CCCCCF 1458a_100000717761_100000729378 [2,0,0,0,0,0|2,0,0]=4 831 B10R0.75 C[C@@H](O)C(=O)CCCCCO 1458a_100000717761_100000746330 [2,0,0,0,0,0|1,0,0]=3 832 B10R0.75 C[C@@H](O)C(=O)CCOCCO 1458a_100000717761_100011215305 [2,0,0,0,0,0|2,0,0]=4 833 B10R0.75 C[C@@H](O)C(=O)NCCCCO 240690a_100000750430_100000717761 [2,0,0,0,0,0|2,0,0]=4 834 B10R0.75 C[C@H](O)C(=O)CCCCCF 1458a_217856618621_100000729378 [2,0,0,0,0,0|2,0,0]=4 835 B10R0.75 C[C@H](O)C(=O)CCCCCO 1458a_217856618621_100000746330 [2,0,0,0,0,0|1,0,0]=3 836 B10R0.75 C[C@H](O)C(=O)CCOCCO 1458a_217856618621_100011215305 [2,0,0,0,0,0|2,0,0]=4 837 B10R0.75 C[C@H](O)C(=O)NCCCCO 240690a_100000750430_217856618621 [2,0,0,0,0,0|2,0,0]=4 838 B10R0.75 O=C(CCCCCO)C(O)O 1458a_100000233687_100000746330 [2,0,0,0,0,0|2,0,0]=4 839 B10R0.97 CC(=O)CCCCCB(O)O 1458a_100000070787_200009817188 [2,0,0,0,0,0|1,0,1]=4 840 B10R0.97 CC(=O)CCCCCC(=O)N 1458a_100000070787_100009817443 [2,0,0,0,0,0|1,0,0]=3 841 B10R0.97 CC(=O)CCCCC[N+](=O)[O-] 1458a_100000043470_200000210301 [2,0,0,0,0,0|1,0,1]=4 842 B10R0.97 CC(=O)CCCCOC(=O)C 1458a_100000070787_100000033659 [2,0,0,0,0,0|2,0,0]=4 843 B10R0.97 CC(=O)CCCCSC(=O)C 1458a_100000070787_200010402107 [2,0,0,0,0,0|2,0,0]=4 844 B10R0.97 CC(=O)CCCNCC(=O)O 269956a_100016091260_100011215641 [2,0,0,0,0,0|1,0,0]=3 845 B10R0.97 CC(=O)CCCOCC(=O)C 34a_100000211253_100000685027 [2,0,0,0,0,0|2,0,0]=4 846 B10R0.97 CC(=O)CCCOCC(=O)N 34a_100000759063_100000187820 [2,0,0,0,0,0|2,0,0]=4 847 B10R0.97 CC(=O)CCCOCC(=O)N 7a_100000759063_100000187820 [2,0,0,0,0,0|2,0,0]=4 848 B10R0.97 CC(=O)CCCOCC(=O)[O-] 34a_100000759063_100020667443 [2,0,0,0,0,0|1,0,1]=4 849 B10R0.97 CC(=O)CCCSCC(=O)N 62a_100000747473_100011215641 [2,0,0,0,0,0|2,0,0]=4 850 B10R0.97 CC(=O)CCCSCC(=O)N 62a_100011215641_100000747473 [2,0,0,0,0,0|2,0,0]=4 851 B10R0.97 CC(=O)CCCSCC(=O)[O-] 62a_100011215641_100020667443 [2,0,0,0,0,0|1,0,1]=4 852 B10R0.97 CC(=O)CCCSCC(=O)[O-] 62a_100020667443_100011215641 [2,0,0,0,0,0|1,0,1]=4 853 B10R0.97 CC(=O)CCNOCC(=O)O 269956a_100000106656_100000053229 [2,0,0,0,0,0|2,0,0]=4 854 B10R0.97 CC(=O)CCOCCC(=O)C 7a_100000759926_100000053229 [2,0,0,0,0,0|2,0,0]=4 855 B10R0.97 CC(=O)CCOCCC(=O)N 34a_100000759926_100000731001 [2,0,0,0,0,0|2,0,0]=4 856 B10R0.97 CC(=O)CCOCCC(=O)N 7a_100000757172_100000053229 [2,0,0,0,0,0|2,0,0]=4 857 B10R0.97 CC(=O)CCOCCC(=O)N 7a_100000759926_100000744528 [2,0,0,0,0,0|2,0,0]=4 858 B10R0.97 CC(=O)CCSCCC(=O)C 62a_100000053229_100000053229 [2,0,0,0,0,0|2,0,0]=4 859 B10R0.97 CC(=O)CCSCCC(=O)N 62a_100000053229_100000744528 [2,0,0,0,0,0|2,0,0]=4 860 B10R0.97 CC(=O)CCSCCC(=O)N 62a_100000744528_100000053229 [2,0,0,0,0,0|2,0,0]=4 861 B10R0.97 CC(=O)COCCCC(=O)N 34a_100000211253_100102525003 [2,0,0,0,0,0|2,0,0]=4 862 B10R0.97 CC(=O)NCCCCC(=O)N 11a_100000696515_100015343762 [2,0,0,0,0,0|2,0,0]=4 863 B10R0.97 CC(=O)NCCCCC(=O)N 1626a_100000696515_100015343762 [2,0,0,0,0,0|2,0,0]=4 864 B10R0.97 CC(=O)NCCCCC(=O)N 240690a_100000696515_100015343762 [2,0,0,0,0,0|2,0,0]=4 865 B10R0.97 CC(=O)NCCCCC(=O)N 527a_100000696515_100103153847 [2,0,0,0,0,0|2,0,0]=4 866 B10R0.97 CC(=O)NCCNCC(=O)O 269956a_100016091260_100000189650 [2,0,0,0,0,0|2,0,0]=4 867 B10R0.97 CC(=O)OCCNCC(=O)O 269956a_100016091260_100009814007 [2,0,0,0,0,0|2,0,0]=4 868 B10R0.97 NC(=O)CCCNCC(=O)N 34a_100000739312_100000187820 [2,0,0,0,0,0|2,0,0]=4 869 B10R0.97 NC(=O)CCCNCC(=O)O 269956a_100016091260_100102525003 [2,0,0,0,0,0|1,0,0]=3 870 B10R0.97 NC(=O)CCCNCC(=O)[O-] 34a_100000739312_100020667443 [2,0,0,0,0,0|1,0,1]=4 871 B10R0.97 NC(=O)CCCSCC(=O)N 62a_100000747473_100102525003 [2,0,0,0,0,0|2,0,0]=4 872 B10R0.97 NC(=O)CCCSCC(=O)N 62a_100102525003_100000747473 [2,0,0,0,0,0|2,0,0]=4 873 B10R0.97 NC(=O)CCCSCC(=O)[O-] 62a_100020667443_100102525003 [2,0,0,0,0,0|1,0,1]=4 874 B10R0.97 NC(=O)CCCSCC(=O)[O-] 62a_100102525003_100020667443 [2,0,0,0,0,0|1,0,1]=4 875 B10R0.97 NC(=O)CCNOCC(=O)O 269956a_100000106656_100000744528 [2,0,0,0,0,0|2,0,0]=4 876 B10R0.97 NC(=O)CCOCCC(=O)N 34a_100000757172_100000731001 [2,0,0,0,0,0|2,0,0]=4 877 B10R0.97 NC(=O)CCOCCC(=O)N 7a_100000757172_100000744528 [2,0,0,0,0,0|2,0,0]=4 878 B10R0.97 NC(=O)CCSCCC(=O)N 62a_100000744528_100000744528 [2,0,0,0,0,0|2,0,0]=4 879 B10R0.97 NC(=O)NCCNCC(=O)O 269956a_100016091260_200000034859 [2,0,0,0,0,0|2,0,0]=4 880 B10R0.97 [13CH3]C(=O)CCCCC[N+](=O)[O-] 1458a_100000043470_200025704644 [2,0,0,0,0,0|1,0,1]=4 881 B12R0.184 CC(CN)OCCCCCC(=O)N 34a_100000210904_100009817443 [1,1,0,0,0,0|2,0,0]=4 882 B12R0.184 COC(=O)CCCCCNC(C)C 2230a_100138425928_100009816466 [1,1,0,0,0,0|2,0,0]=4 883 B12R0.184 COC(=O)CCCCCNC(C)C 34a_100138425928_100009816466 [1,1,0,0,0,0|2,0,0]=4 884 B12R0.184 COC(=O)CCCCCOC(C)C 34a_100000074720_100000210206 [1,1,0,0,0,0|2,0,0]=4 885 B12R0.184 COC(=O)CCCCCOC(C)C 34a_100000212225_100009816466 [1,1,0,0,0,0|2,0,0]=4 886 B12R0.184 COC(=O)CCCCCOC(C)C 7a_100000074720_100000210206 [1,1,0,0,0,0|2,0,0]=4 887 B12R0.184 COC(=O)CCCCCSC(C)C 62a_100000210206_100009816466 [1,1,0,0,0,0|2,0,0]=4 888 B12R0.184 COC(=O)CCCCCSC(C)C 62a_100009816466_100000210206 [1,1,0,0,0,0|2,0,0]=4 889 B12R0.184 COC(=O)CCCCOC[C@@H](C)N 34a_100000737577_100000204269 [1,1,0,0,0,0|1,0,1]=4 890 B12R0.184 COC(=O)CCCOCC[C@@H](C)N 34a_100000706166_100000742333 [1,1,0,0,0,0|1,0,1]=4 891 B12R0.46 CC(C)C(=O)C(C)SCCCC=O 62a_100009893295_200011292268 [1,1,0,0,0,0|2,0,0]=4 892 B12R0.46 CC(C)C(=O)C(C)SCCCC=O 62a_200011292268_100009893295 [1,1,0,0,0,0|2,0,0]=4 893 B12R0.49 C#CC(C)C(=O)CCCCCC=C 1458a_100011934241_200000035995 [1,1,0,0,0,0|2,0,0]=4 894 B12R0.49 C#CC(C)C(=O)CCCCCCO 1458a_100011996774_200000035995 [1,1,0,0,0,0|1,0,1]=4 895 B12R0.49 C=CC(C)C(=O)CCCCCCO 1458a_100011216780_100000766143 [1,1,0,0,0,0|1,0,1]=4 896 B12R0.49 C=CCCCCCC(=O)C(C)C#N 1458a_100000753662_100000700193 [1,1,0,0,0,0|1,0,1]=4 897 B12R0.49 C=CCCCCCC(=O)C(C)C#N 1458a_100011934241_100000703298 [1,1,0,0,0,0|1,0,1]=4 898 B12R0.49 C=CCCCCCC(=O)C(C)C=C 1458a_100011216780_100000700193 [1,1,0,0,0,0|2,0,0]=4 899 B12R0.49 C=CCCCCCC(=O)C(C)CC 1458a_100011192722_100000700193 [1,1,0,0,0,0|2,0,0]=4 900 B12R0.49 C=CCCCCCC(=O)C(C)CC 1458a_100011934241_100000758301 [1,1,0,0,0,0|2,0,0]=4 901 B12R0.49 C=CCCCCCC(=O)C(C)OC 1458a_100000743197_100000700193 [1,1,0,0,0,0|2,0,0]=4 902 B12R0.49 C=CCCCCCC(=O)C(C)SC 1458a_100000149566_100000700193 [1,1,0,0,0,0|2,0,0]=4 903 B12R0.49 C=CCCCCCC(=O)C(O)CC 1458a_100011196387_100000700193 [1,1,0,0,0,0|2,0,0]=4 904 B12R0.49 C=CCCCCCC(=O)C(O)CO 1458a_100011215603_100000700193 [1,1,0,0,0,0|2,0,0]=4 905 B12R0.49 CC(C#N)C(=O)CCCCCCO 1458a_100000753662_100000766143 [1,1,0,0,0,0|0,0,2]=4 906 B12R0.49 CC(C#N)C(=O)CCCCCCO 1458a_100011996774_100000703298 [1,1,0,0,0,0|0,0,2]=4 907 B12R0.49 CCC(C)C(=O)CCCCCCO 1458a_100011192722_100000766143 [1,1,0,0,0,0|1,0,1]=4 908 B12R0.49 CCC(C)C(=O)CCCCCCO 1458a_100011996774_100000758301 [1,1,0,0,0,0|1,0,1]=4 909 B12R0.49 CCC(O)C(=O)CCCCCCO 1458a_100011196387_100000766143 [1,1,0,0,0,0|1,0,1]=4 910 B12R0.49 COC(C)C(=O)CCCCCCO 1458a_100000743197_100000766143 [1,1,0,0,0,0|1,0,1]=4 911 B12R0.49 CSC(C)C(=O)CCCCCCO 1458a_100000149566_100000766143 [1,1,0,0,0,0|1,0,1]=4 912 B12R0.49 O=C(CCCCCCO)C(O)CO 1458a_100011215603_100000766143 [1,1,0,0,0,0|1,0,1]=4 913 B12R0.237 C=CCCCCCC(=O)C(C)(C)C 1458a_106744555173_100000700193 [1,1,0,0,0,0|2,0,0]=4 914 B12R0.237 C=CCCCCCC(=O)C(C)(C)F 1458a_100000765255_100000700193 [1,1,0,0,0,0|2,0,0]=4 915 B12R0.237 C=CCCCCCC(=O)C(C)(C)O 1458a_100000242741_100000700193 [1,1,0,0,0,0|2,0,0]=4 916 B12R0.237 CC(C)(C)C(=O)CCCCCCO 1458a_106744555173_100000766143 [1,1,0,0,0,0|1,0,1]=4 917 B12R0.237 CC(C)(C)C(=O)COCCCC=O 7a_200011592769_200011292268 [1,1,0,0,0,0|2,0,0]=4 918 B12R0.237 CC(C)(C)C(=O)CSCCCC=O 62a_100000210923_200011292268 [1,1,0,0,0,0|2,0,0]=4 919 B12R0.237 CC(C)(C)C(=O)CSCCCC=O 62a_200011292268_100000210923 [1,1,0,0,0,0|2,0,0]=4 920 B12R0.237 CC(C)(F)C(=O)CCCCCCO 1458a_100000765255_100000766143 [1,1,0,0,0,0|1,0,1]=4 921 B12R0.237 CC(C)(O)C(=O)CCCCCCO 1458a_100000242741_100000766143 [1,1,0,0,0,0|1,0,1]=4 922 B12R0.251 C=CCCCCCCC(=O)C(C)C 1458a_100000210198_100011215473 [1,1,0,0,0,0|2,0,0]=4 923 B12R0.251 C=CCCCCCCC(=O)C(C)C 1458a_100011809334_100000210206 [1,1,0,0,0,0|2,0,0]=4 924 B12R0.251 C=CCCCCCCC(=O)C(C)F 1458a_100000062450_100011215473 [1,1,0,0,0,0|2,0,0]=4 925 B12R0.251 C=CCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100011215473 [1,1,0,0,0,0|2,0,0]=4 926 B12R0.251 C=CCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100011215473 [1,1,0,0,0,0|2,0,0]=4 927 B12R0.251 C=CCCCCNCC(=O)C(C)C 2230a_100000703577_100000753385 [1,1,0,0,0,0|2,0,0]=4 928 B12R0.251 C=CCCCCNCC(=O)C(C)C 34a_100000703577_100000753385 [1,1,0,0,0,0|2,0,0]=4 929 B12R0.251 C=CCCCCOCC(=O)C(C)C 34a_100000766645_100000753385 [1,1,0,0,0,0|2,0,0]=4 930 B12R0.251 C=CCCCCOCC(=O)C(C)C 7a_100000766645_100000753385 [1,1,0,0,0,0|2,0,0]=4 931 B12R0.251 C=CCCCCSCC(=O)C(C)C 62a_100000753385_100011215482 [1,1,0,0,0,0|2,0,0]=4 932 B12R0.251 C=CCCCCSCC(=O)C(C)C 62a_100011215482_100000753385 [1,1,0,0,0,0|2,0,0]=4 933 B12R0.251 CC(=O)C(=O)CSCCCCC=O 62a_100000139335_100011261029 [1,1,0,0,0,0|1,0,1]=4 934 B12R0.251 CC(=O)C(=O)CSCCCCC=O 62a_100011261029_100000139335 [1,1,0,0,0,0|1,0,1]=4 935 B12R0.251 CC(C)C(=O)CCCCCCCO 1458a_100000210198_100000760002 [1,1,0,0,0,0|1,0,1]=4 936 B12R0.251 CC(C)C(=O)CCCCCCCO 1458a_100011219782_100000210206 [1,1,0,0,0,0|1,0,1]=4 937 B12R0.251 CC(C)C(=O)CNCCCCCO 2230a_100000762737_100000753385 [1,1,0,0,0,0|1,0,1]=4 938 B12R0.251 CC(C)C(=O)CNCCCCCO 34a_100000762737_100000753385 [1,1,0,0,0,0|1,0,1]=4 939 B12R0.251 CC(C)C(=O)CSCCCCC=O 62a_100000139335_100000753385 [1,1,0,0,0,0|1,0,0]=3 940 B12R0.251 CC(C)C(=O)CSCCCCC=O 62a_100000753385_100000139335 [1,1,0,0,0,0|1,0,0]=3 941 B12R0.251 CC(C)C(=O)CSCCCCCO 62a_100000746330_100000753385 [1,1,0,0,0,0|1,0,1]=4 942 B12R0.251 CC(C)C(=O)CSCCCCCO 62a_100000753385_100000746330 [1,1,0,0,0,0|1,0,1]=4 943 B12R0.251 CC(C)C(=O)NCCCCCCO 240690a_100000686447_100000210198 [1,1,0,0,0,0|1,0,1]=4 944 B12R0.251 CC(C)C(=O)NCCCCCCO 527a_100000686447_100000210198 [1,1,0,0,0,0|1,0,1]=4 945 B12R0.251 CC(C)C(=O)OCSCCCC=O 62a_100000139345_200011292268 [1,1,0,0,0,0|2,0,0]=4 946 B12R0.251 CC(C)C(=O)OCSCCCC=O 62a_200011292268_100000139345 [1,1,0,0,0,0|2,0,0]=4 947 B12R0.251 CC(F)C(=O)CCCCCCCO 1458a_100000062450_100000760002 [1,1,0,0,0,0|1,0,1]=4 948 B12R0.251 CC(F)C(=O)NCCCCCCO 240690a_100000686447_100000062450 [1,1,0,0,0,0|1,0,1]=4 949 B12R0.251 CC(F)C(=O)NCCCCCCO 527a_100000686447_100000062450 [1,1,0,0,0,0|1,0,1]=4 950 B12R0.251 CN(C)C(=O)CCCCSCC=O 62a_100000752486_200015260668 [1,1,0,0,0,0|2,0,0]=4 951 B12R0.251 CN(C)C(=O)CCCCSCC=O 62a_200015260668_100000752486 [1,1,0,0,0,0|2,0,0]=4 952 B12R0.251 CN(C)C(=O)CCNCCCC=O 2230a_100000738053_200011292268 [1,1,0,0,0,0|2,0,0]=4 953 B12R0.251 CN(C)C(=O)CCSCCCC=O 62a_100000737620_200011292268 [1,1,0,0,0,0|2,0,0]=4 954 B12R0.251 CN(C)C(=O)CCSCCCC=O 62a_200011292268_100000737620 [1,1,0,0,0,0|2,0,0]=4 955 B12R0.251 CN(C)C(=O)CNCCCCC=O 2230a_100015183351_100000139335 [1,1,0,0,0,0|2,0,0]=4 956 B12R0.251 CN(C)C(=O)CSCCCCC=O 62a_100000139335_100000692301 [1,1,0,0,0,0|2,0,0]=4 957 B12R0.251 CN(C)C(=O)CSCCCCC=O 62a_100000692301_100000139335 [1,1,0,0,0,0|2,0,0]=4 958 B12R0.251 COCCCCCCC(=O)C(C)C 1458a_100000210198_100011998445 [1,1,0,0,0,0|1,0,1]=4 959 B12R0.251 COCCCCCCC(=O)C(C)F 1458a_100000062450_100011998445 [1,1,0,0,0,0|1,0,1]=4 960 B12R0.251 COCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100011998445 [1,1,0,0,0,0|1,0,1]=4 961 B12R0.251 COCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100011998445 [1,1,0,0,0,0|1,0,1]=4 962 B12R0.251 C[C@@H](O)C(=O)CCCCCCCO 1458a_100000717761_100000760002 [1,1,0,0,0,0|1,0,1]=4 963 B12R0.251 C[C@@H](O)C(=O)NCCCCCCO 240690a_100000686447_100000717761 [1,1,0,0,0,0|1,0,1]=4 964 B12R0.251 C[C@H](O)C(=O)CCCCCCCO 1458a_217856618621_100000760002 [1,1,0,0,0,0|1,0,1]=4 965 B12R0.251 C[C@H](O)C(=O)NCCCCCCO 240690a_100000686447_217856618621 [1,1,0,0,0,0|1,0,1]=4 966 B12R0.86 CCC(=O)C(C)OCCCC(=O)C 7a_100000759063_100000742827 [1,1,0,0,0,0|2,0,0]=4 967 B12R0.86 CCC(=O)C(C)SCCCC(=O)C 62a_100000742827_100011215641 [1,1,0,0,0,0|2,0,0]=4 968 B12R0.86 CCC(=O)C(C)SCCCC(=O)C 62a_100011215641_100000742827 [1,1,0,0,0,0|2,0,0]=4 969 B12R0.86 CCC(=O)C(C)SCCCC(=O)N 62a_100000742827_100102525003 [1,1,0,0,0,0|2,0,0]=4 970 B12R0.86 CCC(=O)C(C)SCCCC(=O)N 62a_100102525003_100000742827 [1,1,0,0,0,0|2,0,0]=4 971 B12R0.86 COC(=O)C(C)CCNCC(=O)O 269956a_100016091260_100000034942 [1,1,0,0,0,0|2,0,0]=4 972 B12R0.183 C#CC(=O)CCCCCC(=O)OC 1458a_100000211873_100009816466 [1,1,0,0,0,0|0,0,2]=4 973 B12R0.183 C#CC(O)CCCCCC(=O)CC 1458a_100000210414_200010408556 [1,1,0,0,0,0|1,0,1]=4 974 B12R0.183 C=CC(=O)CCCCCC(=O)OC 1458a_100000185746_100009816466 [1,1,0,0,0,0|0,0,2]=4 975 B12R0.183 CCC(=O)CCCCCC(=O)OC 1458a_100000210414_100009816466 [1,1,0,0,0,0|0,0,0]=2 976 B12R0.183 CCC(=O)CCCCCC(=O)OC 1458a_100009848860_100000210202 [1,1,0,0,0,0|0,0,0]=2 977 B12R0.183 CCC(=O)COCCCC(=O)NC 34a_100000725409_100000741757 [1,1,0,0,0,0|2,0,0]=4 978 B12R0.183 CCC(=O)COCCCC(=O)OC 34a_100000725409_100000742333 [1,1,0,0,0,0|1,0,0]=3 979 B12R0.183 CCC(=O)CSCCCC(=O)NC 62a_100000741757_100000747405 [1,1,0,0,0,0|2,0,0]=4 980 B12R0.183 CCC(=O)CSCCCC(=O)NC 62a_100000747405_100000741757 [1,1,0,0,0,0|2,0,0]=4 981 B12R0.183 CCC(=O)CSCCCC(=O)OC 62a_100000747405_100011218270 [1,1,0,0,0,0|1,0,0]=3 982 B12R0.183 CCC(=O)CSCCCC(=O)OC 62a_100011218270_100000747405 [1,1,0,0,0,0|1,0,0]=3 983 B12R0.183 CCC(=O)NCCCCC(=O)OC 188690a_100000746077_100000210414 [1,1,0,0,0,0|1,0,0]=3 984 B12R0.183 CCC(=O)NCCNCC(=O)OC 34a_100132302217_100000747449 [1,1,0,0,0,0|2,0,0]=4 985 B12R0.183 CCC(=O)NCCOCC(=O)OC 34a_200000158885_100000747449 [1,1,0,0,0,0|2,0,0]=4 986 B12R0.183 CCC(=O)NCCOCC(=O)OC 7a_200000158885_100000747449 [1,1,0,0,0,0|2,0,0]=4 987 B12R0.183 CCC(=O)OCCOCC(=O)OC 7a_200000031056_100000747449 [1,1,0,0,0,0|2,0,0]=4 988 B12R0.183 CCN(C)CCCCCC(=O)OC 2230a_100000225621_100009816466 [1,1,0,0,0,0|2,0,0]=4 989 B12R0.183 CCN(C)CCCCCC(=O)OC 269982a_100000225621_100009816466 [1,1,0,0,0,0|2,0,0]=4 990 B12R0.183 CNC(=O)CCCCCC(=O)OC 11a_106832991635_100009848860 [1,1,0,0,0,0|1,0,0]=3 991 B12R0.183 CNC(=O)CCCCCC(=O)OC 1626a_100102657272_100009848860 [1,1,0,0,0,0|1,0,0]=3 992 B12R0.183 CNC(=O)CCCCCC(=O)OC 240690a_100102657272_100009848860 [1,1,0,0,0,0|1,0,0]=3 993 B12R0.183 CNC(=O)CCCNCC(=O)OC 2230a_100000740002_100000747449 [1,1,0,0,0,0|2,0,0]=4 994 B12R0.183 CNC(=O)CCCNCC(=O)OC 34a_100000740002_100000747449 [1,1,0,0,0,0|2,0,0]=4 995 B12R0.183 CNC(=O)CCCSCC(=O)OC 62a_100000741757_100000747449 [1,1,0,0,0,0|2,0,0]=4 996 B12R0.183 CNC(=O)CCCSCC(=O)OC 62a_100000747449_100000741757 [1,1,0,0,0,0|2,0,0]=4 997 B12R0.183 CNC(=O)CCNCCC(=O)OC 2230a_100000738227_100000204255 [1,1,0,0,0,0|2,0,0]=4 998 B12R0.183 CNC(=O)CCNCCC(=O)OC 34a_100000738227_100000742370 [1,1,0,0,0,0|2,0,0]=4 999 B12R0.183 CNC(=O)CCOCCC(=O)OC 34a_100000754576_100000742370 [1,1,0,0,0,0|2,0,0]=4 1000 B12R0.183 CNC(=O)CCSCCC(=O)OC 62a_100000204255_100000737683 [1,1,0,0,0,0|2,0,0]=4 1001 B12R0.183 CNC(=O)CCSCCC(=O)OC 62a_100000737683_100000204255 [1,1,0,0,0,0|2,0,0]=4 1002 B12R0.183 CNC(=O)CNCCCC(=O)OC 2230a_100000693194_100011218270 [1,1,0,0,0,0|2,0,0]=4 1003 B12R0.183 CNC(=O)COCCCC(=O)OC 34a_100000750040_100000742333 [1,1,0,0,0,0|2,0,0]=4 1004 B12R0.183 CNC(=O)CSCCCC(=O)OC 62a_100000183359_100011218270 [1,1,0,0,0,0|2,0,0]=4 1005 B12R0.183 CNC(=O)CSCCCC(=O)OC 62a_100011218270_100000183359 [1,1,0,0,0,0|2,0,0]=4 1006 B12R0.183 COC(=O)CCCCCC(=O)CF 1458a_100009848860_100015361967 [1,1,0,0,0,0|1,0,0]=3 1007 B12R0.183 COC(=O)CCCCCC(=O)CO 1458a_100000210174_100009816466 [1,1,0,0,0,0|1,0,0]=3 1008 B12R0.183 COC(=O)CCCCNC(=O)CO 188690a_100000746077_100000210174 [1,1,0,0,0,0|2,0,0]=4 1009 B12R0.183 COC(=O)CCCSCC(=O)OC 62a_100000747449_100011218270 [1,1,0,0,0,0|2,0,0]=4 1010 B12R0.183 COC(=O)CCCSCC(=O)OC 62a_100011218270_100000747449 [1,1,0,0,0,0|2,0,0]=4 1011 B12R0.183 COC(=O)CCSCCC(=O)OC 62a_100000204255_100000204255 [1,1,0,0,0,0|2,0,0]=4 1012 B12R0.183 COC(=O)COCCCC(=O)NN 34a_100000211488_100000747449 [1,1,0,0,0,0|2,0,0]=4 1013 B12R0.240 CCC(=O)CN(C)CCCC(=O)O 269956a_100000719178_100000747405 [1,1,0,0,0,0|1,0,0]=3 1014 B12R0.240 CNC(=O)CN(C)CCCC(=O)O 269956a_100000719178_100000183359 [1,1,0,0,0,0|2,0,0]=4 1015 B12R0.240 COC(=O)CN(C)CCCC(=O)O 269956a_100000719178_100000747449 [1,1,0,0,0,0|2,0,0]=4 1016 B12R0.240 COC(=O)C[C@@H](O)CNCC(=O)O 269956a_100016091260_100000754131 [1,1,0,0,0,0|2,0,0]=4 1017 B12R0.241 CCC(=O)CNCC(O)CC(=O)O 269956a_100011218706_100000747405 [1,1,0,0,0,0|1,0,0]=3 1018 B12R0.241 CNC(=O)CCCN(C)CC(=O)O 269956a_100000746989_100000741757 [1,1,0,0,0,0|2,0,0]=4 1019 B12R0.241 CNC(=O)CNCC(O)CC(=O)O 269956a_100011218706_100000183359 [1,1,0,0,0,0|2,0,0]=4 1020 B12R0.241 COC(=O)CCCN(C)CC(=O)O 269956a_100000746989_100011218270 [1,1,0,0,0,0|2,0,0]=4 1021 B12R0.241 COC(=O)CNCC(O)CC(=O)O 269956a_100011218706_100000747449 [1,1,0,0,0,0|2,0,0]=4 1022 B12R0.277 C#CCC(=O)CCCCCC(=O)N 1458a_100011220946_100009817443 [1,1,0,0,0,0|1,0,1]=4 1023 B12R0.277 C=CCC(=O)CCCCCC(=O)N 1458a_100000210193_100009817443 [1,1,0,0,0,0|1,0,1]=4 1024 B12R0.277 CC#CC(=O)CCCCCC(=O)N 1458a_100000763181_100009817443 [1,1,0,0,0,0|1,0,1]=4 1025 B12R0.277 CC(=O)OCCCCC(=O)CCO 1458a_100011216618_100000033659 [1,1,0,0,0,0|2,0,0]=4 1026 B12R0.277 CC(=O)SCCCCC(=O)CCO 1458a_100011216618_200010402107 [1,1,0,0,0,0|2,0,0]=4 1027 B12R0.277 CC=CC(=O)CCCCCC(=O)N 1458a_100000210699_100009817443 [1,1,0,0,0,0|1,0,1]=4 1028 B12R0.277 CCCC(=O)CCCCCB(O)O 1458a_100000211992_200009817188 [1,1,0,0,0,0|1,0,1]=4 1029 B12R0.277 CCCC(=O)CCCCCC(=O)N 1458a_100000211992_100009817443 [1,1,0,0,0,0|1,0,0]=3 1030 B12R0.277 CCCC(=O)CCCCC[N+](=O)[O-] 1458a_100000043470_100000210303 [1,1,0,0,0,0|1,0,1]=4 1031 B12R0.277 CCCC(=O)CCCCOC(=O)C 1458a_100000211992_100000033659 [1,1,0,0,0,0|2,0,0]=4 1032 B12R0.277 CCCC(=O)CCCCSC(=O)C 1458a_100000211992_200010402107 [1,1,0,0,0,0|2,0,0]=4 1033 B12R0.277 CCCC(=O)COCCCC(=O)C 7a_100000759063_100000747444 [1,1,0,0,0,0|2,0,0]=4 1034 B12R0.277 CCCC(=O)CSCCCC(=O)C 62a_100000747444_100011215641 [1,1,0,0,0,0|2,0,0]=4 1035 B12R0.277 CCCC(=O)CSCCCC(=O)C 62a_100011215641_100000747444 [1,1,0,0,0,0|2,0,0]=4 1036 B12R0.277 CCCC(=O)CSCCCC(=O)N 62a_100000747444_100102525003 [1,1,0,0,0,0|2,0,0]=4 1037 B12R0.277 CCCC(=O)CSCCCC(=O)N 62a_100102525003_100000747444 [1,1,0,0,0,0|2,0,0]=4 1038 B12R0.277 CCCC(=O)NCCCCC(=O)N 11a_100000696515_100000211992 [1,1,0,0,0,0|2,0,0]=4 1039 B12R0.277 CCCC(=O)NCCCCC(=O)N 1626a_100000696515_100000211992 [1,1,0,0,0,0|2,0,0]=4 1040 B12R0.277 CCCC(=O)NCCCCC(=O)N 240690a_100000696515_100000211992 [1,1,0,0,0,0|2,0,0]=4 1041 B12R0.277 CCCC(=O)NCCCCC(=O)N 527a_100000696515_100000211992 [1,1,0,0,0,0|2,0,0]=4 1042 B12R0.277 CCNC(=O)CCCCC[N+](=O)[O-] 11a_100015525214_100000043470 [1,1,0,0,0,0|1,0,1]=4 1043 B12R0.277 CCNC(=O)CCCCC[N+](=O)[O-] 240690a_100015525214_100000043470 [1,1,0,0,0,0|1,0,1]=4 1044 B12R0.277 CCNC(=O)CCCCC[N+](=O)[O-] 527a_100015525214_100000043470 [1,1,0,0,0,0|1,0,1]=4 1045 B12R0.277 CCNC(=O)CCNCCC(=O)N 34a_100025743525_100000731001 [1,1,0,0,0,0|2,0,0]=4 1046 B12R0.277 CCNC(=O)CCNOCC(=O)O 269956a_100000106656_100000737597 [1,1,0,0,0,0|2,0,0]=4 1047 B12R0.277 CCNC(=O)CCOCCC(=O)C 7a_100000759926_100000737597 [1,1,0,0,0,0|2,0,0]=4 1048 B12R0.277 CCNC(=O)CCOCCC(=O)N 7a_100000757172_100000737597 [1,1,0,0,0,0|2,0,0]=4 1049 B12R0.277 CCNC(=O)CCSCCC(=O)C 62a_100000053229_100000737597 [1,1,0,0,0,0|2,0,0]=4 1050 B12R0.277 CCNC(=O)CCSCCC(=O)C 62a_100000737597_100000053229 [1,1,0,0,0,0|2,0,0]=4 1051 B12R0.277 CCNC(=O)CCSCCC(=O)N 62a_100000737597_100000744528 [1,1,0,0,0,0|2,0,0]=4 1052 B12R0.277 CCNC(=O)CCSCCC(=O)N 62a_100000744528_100000737597 [1,1,0,0,0,0|2,0,0]=4 1053 B12R0.277 CCNC(=O)CNCCCC(=O)N 34a_100000739312_100000183381 [1,1,0,0,0,0|2,0,0]=4 1054 B12R0.277 CCNC(=O)COCCCC(=O)C 34a_100000759063_100000183381 [1,1,0,0,0,0|2,0,0]=4 1055 B12R0.277 CCNC(=O)COCCCC(=O)C 7a_100000759063_100000183381 [1,1,0,0,0,0|2,0,0]=4 1056 B12R0.277 CCNC(=O)CSCCCC(=O)C 62a_100000183381_100011215641 [1,1,0,0,0,0|2,0,0]=4 1057 B12R0.277 CCNC(=O)CSCCCC(=O)C 62a_100011215641_100000183381 [1,1,0,0,0,0|2,0,0]=4 1058 B12R0.277 CCNC(=O)CSCCCC(=O)N 62a_100000183381_100102525003 [1,1,0,0,0,0|2,0,0]=4 1059 B12R0.277 CCNC(=O)CSCCCC(=O)N 62a_100102525003_100000183381 [1,1,0,0,0,0|2,0,0]=4 1060 B12R0.277 CCNC(=O)NCCCCC(=O)N 273464a_100000696515_100015525214 [1,1,0,0,0,0|2,0,0]=4 1061 B12R0.277 CCNC(=O)NCCCCC(=O)N 273464a_100015525214_100000696515 [1,1,0,0,0,0|2,0,0]=4 1062 B12R0.277 CCNC(=O)NCCCCC(=O)N 512a_100000696515_100015525214 [1,1,0,0,0,0|2,0,0]=4 1063 B12R0.277 CCNC(=O)NCCCCC(=O)N 512a_100015525214_100000696515 [1,1,0,0,0,0|2,0,0]=4 1064 B12R0.277 CCOC(=O)CCCCCC(=O)C 1458a_100000037472_200000210301 [1,1,0,0,0,0|1,0,0]=3 1065 B12R0.277 CCOC(=O)CCCCCC(=O)C 1458a_100000070787_100000755133 [1,1,0,0,0,0|1,0,0]=3 1066 B12R0.277 CCOC(=O)CCCCCC(=O)[13CH3] 1458a_100000037472_200025704644 [1,1,0,0,0,0|1,0,0]=3 1067 B12R0.277 CCOC(=O)CCCCNC(=O)C 188690a_100000718961_100015343762 [1,1,0,0,0,0|2,0,0]=4 1068 B12R0.277 CCOC(=O)CCCNCC(=O)N 2230a_100000711301_100009991533 [1,1,0,0,0,0|2,0,0]=4 1069 B12R0.277 CCOC(=O)CCCNCC(=O)O 269956a_100016091260_100009991533 [1,1,0,0,0,0|1,0,0]=3 1070 B12R0.277 CCOC(=O)CCCOCC(=O)C 34a_100000211253_100009991533 [1,1,0,0,0,0|2,0,0]=4 1071 B12R0.277 CCOC(=O)CCCOCC(=O)N 7a_100012001163_100000187820 [1,1,0,0,0,0|2,0,0]=4 1072 B12R0.277 CCOC(=O)CCCSCC(=O)N 62a_100000747473_100009991533 [1,1,0,0,0,0|2,0,0]=4 1073 B12R0.277 CCOC(=O)CCCSCC(=O)N 62a_100009991533_100000747473 [1,1,0,0,0,0|2,0,0]=4 1074 B12R0.277 CCOC(=O)CCCSCC(=O)[O-] 62a_100009991533_100020667443 [1,1,0,0,0,0|1,0,1]=4 1075 B12R0.277 CCOC(=O)CCCSCC(=O)[O-] 62a_100020667443_100009991533 [1,1,0,0,0,0|1,0,1]=4 1076 B12R0.277 CCOC(=O)CCNOCC(=O)O 269956a_100000106656_100000765890 [1,1,0,0,0,0|2,0,0]=4 1077 B12R0.277 CCOC(=O)CCOCCC(=O)C 34a_100000759926_100000765890 [1,1,0,0,0,0|2,0,0]=4 1078 B12R0.277 CCOC(=O)CCOCCC(=O)C 7a_100000759926_100011206558 [1,1,0,0,0,0|2,0,0]=4 1079 B12R0.277 CCOC(=O)CCOCCC(=O)N 34a_100000757172_100000765890 [1,1,0,0,0,0|2,0,0]=4 1080 B12R0.277 CCOC(=O)CCOCCC(=O)N 7a_100000757172_100011206558 [1,1,0,0,0,0|2,0,0]=4 1081 B12R0.277 CCOC(=O)CCSCCC(=O)C 62a_100000053229_100000765890 [1,1,0,0,0,0|2,0,0]=4 1082 B12R0.277 CCOC(=O)CCSCCC(=O)C 62a_100000765890_100000053229 [1,1,0,0,0,0|2,0,0]=4 1083 B12R0.277 CCOC(=O)CCSCCC(=O)N 62a_100000744528_100000765890 [1,1,0,0,0,0|2,0,0]=4 1084 B12R0.277 CCOC(=O)CCSCCC(=O)N 62a_100000765890_100000744528 [1,1,0,0,0,0|2,0,0]=4 1085 B12R0.277 CCOC(=O)CNCCCC(=O)N 34a_100000739312_100000188475 [1,1,0,0,0,0|2,0,0]=4 1086 B12R0.277 CCOC(=O)COCCCC(=O)C 1458a_100000070787_100009893628 [1,1,0,0,0,0|2,0,0]=4 1087 B12R0.277 CCOC(=O)COCCCC(=O)C 34a_100000759063_100000188475 [1,1,0,0,0,0|2,0,0]=4 1088 B12R0.277 CCOC(=O)COCCCC(=O)C 7a_100000759063_100000188475 [1,1,0,0,0,0|2,0,0]=4 1089 B12R0.277 CCOC(=O)CSCCCC(=O)C 62a_100000188475_100011215641 [1,1,0,0,0,0|2,0,0]=4 1090 B12R0.277 CCOC(=O)CSCCCC(=O)C 62a_100011215641_100000188475 [1,1,0,0,0,0|2,0,0]=4 1091 B12R0.277 CCOC(=O)CSCCCC(=O)N 62a_100000188475_100102525003 [1,1,0,0,0,0|2,0,0]=4 1092 B12R0.277 CCOC(=O)CSCCCC(=O)N 62a_100102525003_100000188475 [1,1,0,0,0,0|2,0,0]=4 1093 B12R0.277 CCOC(=O)NCCNCC(=O)O 269956a_100016091260_200011445536 [1,1,0,0,0,0|2,0,0]=4 1094 B12R0.277 COCC(=O)CCCCCB(O)O 1458a_100000210968_200009817188 [1,1,0,0,0,0|1,0,1]=4 1095 B12R0.277 COCC(=O)CCCCCC(=O)N 1458a_100000210968_100009817443 [1,1,0,0,0,0|1,0,0]=3 1096 B12R0.277 COCC(=O)CCCCOC(=O)C 1458a_100000210968_100000033659 [1,1,0,0,0,0|2,0,0]=4 1097 B12R0.277 COCC(=O)CCCCSC(=O)C 1458a_100000210968_200010402107 [1,1,0,0,0,0|2,0,0]=4 1098 B12R0.277 COCC(=O)NCCCCC(=O)N 11a_100000696515_100000210968 [1,1,0,0,0,0|2,0,0]=4 1099 B12R0.277 COCC(=O)NCCCCC(=O)N 1626a_100000696515_100000210968 [1,1,0,0,0,0|2,0,0]=4 1100 B12R0.277 COCC(=O)NCCCCC(=O)N 240690a_100000696515_100000210968 [1,1,0,0,0,0|2,0,0]=4 1101 B12R0.277 COCC(=O)NCCCCC(=O)N 527a_100000696515_100000210968 [1,1,0,0,0,0|2,0,0]=4 1102 B12R0.277 CSCC(=O)CCCCCB(O)O 1458a_100000184570_200009817188 [1,1,0,0,0,0|1,0,1]=4 1103 B12R0.277 CSCC(=O)CCCCCC(=O)N 1458a_100000184570_100009817443 [1,1,0,0,0,0|1,0,0]=3 1104 B12R0.277 CSCC(=O)CCCCOC(=O)C 1458a_100000184570_100000033659 [1,1,0,0,0,0|2,0,0]=4 1105 B12R0.277 CSCC(=O)CCCCSC(=O)C 1458a_100000184570_200010402107 [1,1,0,0,0,0|2,0,0]=4 1106 B12R0.277 CSCC(=O)NCCCCC(=O)N 11a_100000696515_100000184570 [1,1,0,0,0,0|2,0,0]=4 1107 B12R0.277 CSCC(=O)NCCCCC(=O)N 1626a_100000696515_100000184570 [1,1,0,0,0,0|2,0,0]=4 1108 B12R0.277 CSCC(=O)NCCCCC(=O)N 240690a_100000696515_100000184570 [1,1,0,0,0,0|2,0,0]=4 1109 B12R0.277 CSCC(=O)NCCCCC(=O)N 527a_100000696515_100000184570 [1,1,0,0,0,0|2,0,0]=4 1110 B12R0.277 N#CCC(=O)CCCCCC(=O)N 1458a_100051588842_100009817443 [1,1,0,0,0,0|1,0,1]=4 1111 B12R0.277 NC(=O)CCCCCC(=O)CCO 1458a_100011216618_100009817443 [1,1,0,0,0,0|1,0,0]=3 1112 B12R0.277 NC(=O)CCCCNC(=O)CCO 240690a_100000696515_100011216618 [1,1,0,0,0,0|2,0,0]=4 1113 B12R0.277 O=C(CCF)CCCCC[N+](=O)[O-] 1458a_100000043470_100011217306 [1,1,0,0,0,0|1,0,1]=4 1114 B12R0.277 O=C(CCO)CCCCCB(O)O 1458a_100011216618_200009817188 [1,1,0,0,0,0|1,0,1]=4 1115 B12R0.277 O=C(CCO)CCCCC[N+](=O)[O-] 1458a_100000043470_100000211926 [1,1,0,0,0,0|1,0,1]=4 1116 B12R0.269 CC(=O)CCCCC(=O)C(C)(C)C 1458a_106744555173_100000735457 [0,1,0,0,1,0|2,0,0]=4 1117 B12R0.269 CC(=O)CCCCC(=O)C(C)(C)F 1458a_100000765255_100000735457 [0,1,0,0,1,0|2,0,0]=4 1118 B12R0.269 CC(=O)CCCCC(=O)C(C)(C)O 1458a_100000242741_100000735457 [0,1,0,0,1,0|2,0,0]=4 1119 B12R0.627 CC(C)C(=O)CNCC(C)C(=O)O 269956a_100000749485_100000753385 [0,1,0,0,1,0|2,0,0]=4 1120 B12R0.627 CC(C)C(=O)CNCC(F)C(=O)O 269956a_100000084737_100000753385 [0,1,0,0,1,0|2,0,0]=4 1121 B14R0.101 C=CC(C)CC(=O)CCCCCC(=O)N 1458a_100011934298_100009817443 [0,1,0,0,0,1|2,0,0]=4 1122 B14R0.101 CCC(C)CC(=O)CCCCCC(=O)N 1458a_100000708755_100009817443 [0,1,0,0,0,1|2,0,0]=4 1123 B14R0.101 CCC(O)CC(=O)CCCCCC(=O)N 1458a_100011667805_100009817443 [0,1,0,0,0,1|2,0,0]=4 1124 B14R0.114 CC(C)NC(=O)CNCC(O)CC(=O)O 269956a_100011218706_100000183996 [0,1,0,0,0,1|2,0,0]=4 1125 B14R0.114 CC(C)OC(=O)CNCC(O)CC(=O)O 269956a_100011218706_100011215430 [0,1,0,0,0,1|2,0,0]=4 1126 B14R0.115 CC(C)NC(=O)CCNCC(C)C(=O)O 269956a_100000749485_100000737564 [0,1,0,0,0,1|2,0,0]=4 1127 B14R0.115 CC(C)NC(=O)CCNCC(F)C(=O)O 269956a_100000084737_100000737564 [0,1,0,0,0,1|2,0,0]=4 1128 B14R0.115 CC(C)OC(=O)CCNCC(C)C(=O)O 269956a_100000749485_100000760027 [0,1,0,0,0,1|2,0,0]=4 1129 B14R0.115 CC(C)OC(=O)CCNCC(F)C(=O)O 269956a_100000084737_100000760027 [0,1,0,0,0,1|2,0,0]=4 1130 B14R0.221 CC(C)C(C)C(=O)CCCCCC(=O)N 1458a_100000755409_100009817443 [0,1,0,0,0,1|2,0,0]=4 1131 B14R0.221 CC(C)[C@@H](O)C(=O)CCCCCC(=O)N 1458a_100000691806_100009817443 [0,1,0,0,0,1|2,0,0]=4 1132 B14R0.309 C#CC(=O)CCCCCC(=O)OC(C)C 1458a_100000211873_200010986244 [0,1,0,0,0,1|2,0,0]=4 1133 B14R0.309 C=C(C)CC(=O)CCCCCC(=O)OC 1458a_100009848860_100000748629 [0,1,0,0,0,1|1,0,1]=4 1134 B14R0.309 C=CC(=O)CCCCCC(=O)OC(C)C 1458a_100000185746_200010986244 [0,1,0,0,0,1|2,0,0]=4 1135 B14R0.309 CC(C)OC(=O)CCCCCC(=O)CO 1458a_100000210174_200010986244 [0,1,0,0,0,1|1,0,0]=3 1136 B14R0.309 CCC(=O)CCCCCC(=O)OC(C)C 1458a_100000210414_200010986244 [0,1,0,0,0,1|2,0,0]=4 1137 B14R0.309 COC(=O)CCCCCC(=O)C=C(C)C 1458a_100000211388_100009816466 [0,1,0,0,0,1|1,0,1]=4 1138 B14R0.309 COC(=O)CCCCCC(=O)C=C(C)Cl 1458a_200042562850_100009816466 [0,1,0,0,0,1|1,0,1]=4 1139 B14R0.309 COC(=O)CCCCCC(=O)C=C(C)I 1458a_100025716642_100009816466 [0,1,0,0,0,1|1,0,1]=4 1140 B14R0.309 COC(=O)CCCCCC(=O)CC(=O)N 1458a_100009848860_100000187820 [0,1,0,0,0,1|1,0,1]=4 1141 B14R0.309 COC(=O)CCCCCC(=O)CC(=O)N 1458a_100134613110_100009816466 [0,1,0,0,0,1|1,0,1]=4 1142 B14R0.309 COC(=O)CCCCCC(=O)CC(C)C 1458a_100000210554_100009816466 [0,1,0,0,0,1|1,0,0]=3 1143 B14R0.309 COC(=O)CCCCCC(=O)CC(C)C 1458a_100009848860_100000210624 [0,1,0,0,0,1|1,0,0]=3 1144 B14R0.309 COC(=O)CCCCCC(=O)CC(C)O 1458a_100009848860_100011218427 [0,1,0,0,0,1|1,0,0]=3 1145 B14R0.309 COC(=O)CCCCCC(=O)CC(F)F 1458a_100009848860_100011934356 [0,1,0,0,0,1|2,0,0]=4 1146 B14R0.309 COC(=O)CCCCCC(=O)CN(C)C 1458a_100000750896_100009816466 [0,1,0,0,0,1|2,0,0]=4 1147 B14R0.309 COC(=O)CCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100009816466 [0,1,0,0,0,1|1,0,0]=3 1148 B14R0.309 COC(=O)CCCCCC(=O)C[S+](C)C 1458a_200159257847_100009816466 [0,1,0,0,0,1|2,0,0]=4 1149 B14R0.309 COC(=O)CCCCCC(=O)NC(C)C 11a_100138425928_100009848860 [0,1,0,0,0,1|1,0,0]=3 1150 B14R0.309 COC(=O)CCCCCC(=O)NC(C)C 1626a_100138425928_100009848860 [0,1,0,0,0,1|1,0,0]=3 1151 B14R0.309 COC(=O)CCCCCC(=O)NC(C)C 240690a_100138425928_100009848860 [0,1,0,0,0,1|1,0,0]=3 1152 B14R0.309 COC(=O)CCCCNC(=O)CC(C)C 188690a_100000746077_100000210554 [0,1,0,0,0,1|2,0,0]=4 1153 B14R0.309 COC(=O)CCCCNC(=O)C[C@@H](C)O 188690a_100000746077_100011933948 [0,1,0,0,0,1|2,0,0]=4 1154 B14R0.309 COC(=O)CCCNCC(=O)NC(C)C 2230a_100000168517_100011218270 [0,1,0,0,0,1|2,0,0]=4 1155 B14R0.309 COC(=O)CCCSCC(=O)NC(C)C 62a_100000183996_100011218270 [0,1,0,0,0,1|2,0,0]=4 1156 B14R0.309 COC(=O)CCCSCC(=O)NC(C)C 62a_100011218270_100000183996 [0,1,0,0,0,1|2,0,0]=4 1157 B14R0.309 COC(=O)CCCSCC(=O)OC(C)C 62a_100011215430_100011218270 [0,1,0,0,0,1|2,0,0]=4 1158 B14R0.309 COC(=O)CCCSCC(=O)OC(C)C 62a_100011218270_100011215430 [0,1,0,0,0,1|2,0,0]=4 1159 B14R0.309 COC(=O)CCSCCC(=O)NC(C)C 62a_100000204255_100000737564 [0,1,0,0,0,1|2,0,0]=4 1160 B14R0.309 COC(=O)CCSCCC(=O)NC(C)C 62a_100000737564_100000204255 [0,1,0,0,0,1|2,0,0]=4 1161 B14R0.309 COC(=O)CCSCCC(=O)OC(C)C 62a_100000204255_100000760027 [0,1,0,0,0,1|2,0,0]=4 1162 B14R0.309 COC(=O)CCSCCC(=O)OC(C)C 62a_100000760027_100000204255 [0,1,0,0,0,1|2,0,0]=4 1163 B14R0.426 CC(C)NC(=O)CN(C)CCCC(=O)O 269956a_100000719178_100000183996 [0,1,0,0,0,1|2,0,0]=4 1164 B14R0.426 CC(C)OC(=O)CN(C)CCCC(=O)O 269956a_100000719178_100011215430 [0,1,0,0,0,1|2,0,0]=4 1165 B14R0.2683 CC(=O)CCCCCC(=O)OC(C)(C)C 1458a_100000070787_100010886488 [0,1,0,0,0,1|2,0,0]=4 1166 B14R0.2683 CC(=O)CCCCCC(=O)OC(C)(C)C 1458a_100025703320_200000210301 [0,1,0,0,0,1|2,0,0]=4 1167 B14R0.2683 CC(C)(C)CC(=O)CCCCCC(=O)N 1458a_100000211214_100009817443 [0,1,0,0,0,1|2,0,0]=4 1168 B14R0.2683 CC(C)(C)NC(=O)CCCNCC(=O)O 269956a_100016091260_100011194434 [0,1,0,0,0,1|2,0,0]=4 1169 B14R0.2683 CC(C)(C)OC(=O)CCCCCC(=O)[13CH3] 1458a_100025703320_200025704644 [0,1,0,0,0,1|2,0,0]=4 1170 B14R0.2683 CC(C)(C)OC(=O)CCCNCC(=O)O 269956a_100016091260_100000708543 [0,1,0,0,0,1|2,0,0]=4 1171 B14R0.2683 CC(C)(O)CC(=O)CCCCCC(=O)N 1458a_100000693243_100009817443 [0,1,0,0,0,1|2,0,0]=4 1172 B14R0.71 CC(=O)CCCCOCC(=O)C(C)(C)C 34a_200011592769_100009817362 [0,1,0,0,0,1|2,0,0]=4 1173 B14R0.71 CC(=O)CCCCOCC(=O)C(C)(C)C 7a_200011592769_100000735457 [0,1,0,0,0,1|2,0,0]=4 1174 B14R0.71 CC(=O)CCCCSCC(=O)C(C)(C)C 62a_100000210923_100000735457 [0,1,0,0,0,1|2,0,0]=4 1175 B14R0.71 CC(=O)CCCCSCC(=O)C(C)(C)C 62a_100000735457_100000210923 [0,1,0,0,0,1|2,0,0]=4 1176 B14R0.71 CC(=O)OCCCCCC(=O)C(C)(C)C 1458a_106744555173_100000033007 [0,1,0,0,0,1|2,0,0]=4 1177 B14R0.71 CC(=O)OCCCCCC(=O)C(C)(C)F 1458a_100000765255_100000033007 [0,1,0,0,0,1|2,0,0]=4 1178 B14R0.71 CC(=O)OCCCCCC(=O)C(C)(C)O 1458a_100000242741_100000033007 [0,1,0,0,0,1|2,0,0]=4 1179 B14R0.71 CC(C)(C)C(=O)CNCCCCC(=O)N 34a_100000696515_100000229897 [0,1,0,0,0,1|2,0,0]=4 1180 B14R0.71 CC(C)(C)C(=O)CNCCOCC(=O)O 269956a_100000700818_100000210923 [0,1,0,0,0,1|2,0,0]=4 1181 B14R0.71 CC(C)(C)C(=O)COCCCCC(=O)N 34a_100012022536_100000229897 [0,1,0,0,0,1|2,0,0]=4 1182 B14R0.71 CC(C)(C)C(=O)COCCCCC(=O)N 7a_100012022536_100000210923 [0,1,0,0,0,1|2,0,0]=4 1183 B14R0.131 C#CC(C)C(=O)CCCCCNC(=O)C 1458a_100000183861_200000035995 [0,1,0,0,0,1|2,0,0]=4 1184 B14R0.131 C=CC(C)C(=O)CCCCCOC(=O)C 1458a_100011216780_100000033007 [0,1,0,0,0,1|2,0,0]=4 1185 B14R0.131 CC(=O)NCCCCCC(=O)C(C)C#N 1458a_100000183861_100000703298 [0,1,0,0,0,1|1,0,1]=4 1186 B14R0.131 CC(=O)OCCCCCC(=O)C(C)C#N 1458a_100000753662_100000033007 [0,1,0,0,0,1|1,0,1]=4 1187 B14R0.131 CC(=O)OCCCCCC(=O)C(O)CO 1458a_100011215603_100000033007 [0,1,0,0,0,1|2,0,0]=4 1188 B14R0.131 CCC(C)C(=O)CCCCCNC(=O)C 1458a_100000183861_100000758301 [0,1,0,0,0,1|2,0,0]=4 1189 B14R0.131 CCC(C)C(=O)CCCCCOC(=O)C 1458a_100011192722_100000033007 [0,1,0,0,0,1|2,0,0]=4 1190 B14R0.131 CCC(O)C(=O)CCCCCOC(=O)C 1458a_100011196387_100000033007 [0,1,0,0,0,1|2,0,0]=4 1191 B14R0.131 COC(C)C(=O)CCCCCOC(=O)C 1458a_100000743197_100000033007 [0,1,0,0,0,1|2,0,0]=4 1192 B14R0.131 CSC(C)C(=O)CCCCCOC(=O)C 1458a_100000149566_100000033007 [0,1,0,0,0,1|2,0,0]=4 1193 B14R0.222 CC(CCCC(=O)[O-])OCC(=O)C(C)C 7a_100000761597_100000753385 [0,1,0,0,0,1|1,0,1]=4 1194 B14R0.222 CN(CCCC(=O)O)CCC(=O)N(C)C 269956a_100000719178_100000737620 [0,1,0,0,0,1|2,0,0]=4 1195 B14R0.405 CC(CNCCCC(=O)N(C)C)C(=O)O 269956a_100000749485_100000737642 [0,1,0,0,0,1|2,0,0]=4 1196 B14R0.405 CN(C)C(=O)CCCNCC(F)C(=O)O 269956a_100000084737_100000737642 [0,1,0,0,0,1|2,0,0]=4 1197 B14R0.405 C[C@H](NCCCCC(=O)N(C)C)C(=O)O 269956a_100000743915_100000752486 [0,1,0,0,0,1|2,0,0]=4 1198 B14R0.534 C=C(C)C(=O)CCCCCCC(=O)OC 1458a_100000185857_100009815986 [0,1,0,0,0,1|1,0,1]=4 1199 B14R0.534 C=C(C)C(=O)NCCCCCC(=O)OC 188690a_100000184999_100000185857 [0,1,0,0,0,1|1,0,1]=4 1200 B14R0.534 C=CC(=O)NCCCCCC(=O)C(C)C 1458a_100011222493_100000210206 [0,1,0,0,0,1|2,0,0]=4 1201 B14R0.534 COC(=O)CCCCCCC(=O)C(C)C 1458a_100000036694_100000210206 [0,1,0,0,0,1|1,0,0]=3 1202 B14R0.534 COC(=O)CCCCCCC(=O)C(C)C 1458a_100000210198_100009815986 [0,1,0,0,0,1|1,0,0]=3 1203 B14R0.534 COC(=O)CCCCCCC(=O)C(C)F 1458a_100000062450_100009815986 [0,1,0,0,0,1|1,0,0]=3 1204 B14R0.534 COC(=O)CCCCCCC(=O)C(O)O 1458a_100000233687_100009815986 [0,1,0,0,0,1|2,0,0]=4 1205 B14R0.534 COC(=O)CCCCCCC(=O)N(C)C 11a_100102631434_100000036694 [0,1,0,0,0,1|2,0,0]=4 1206 B14R0.534 COC(=O)CCCCCCC(=O)N(C)C 1626a_100102631434_100000036694 [0,1,0,0,0,1|2,0,0]=4 1207 B14R0.534 COC(=O)CCCCCCC(=O)N(C)C 240690a_100102631434_100000036694 [0,1,0,0,0,1|2,0,0]=4 1208 B14R0.534 COC(=O)CCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100009815986 [0,1,0,0,0,1|1,0,0]=3 1209 B14R0.534 COC(=O)CCCCCCC(=O)[C@H](C)O 1458a_217856618621_100009815986 [0,1,0,0,0,1|1,0,0]=3 1210 B14R0.534 COC(=O)CCCCCNC(=O)C(C)C 188690a_100000184999_100000210198 [0,1,0,0,0,1|1,0,0]=3 1211 B14R0.534 COC(=O)CCCCCNC(=O)C(C)F 188690a_100000184999_100000062450 [0,1,0,0,0,1|1,0,0]=3 1212 B14R0.534 COC(=O)CCCCCNC(=O)C(O)O 188690a_100000184999_100000233687 [0,1,0,0,0,1|2,0,0]=4 1213 B14R0.534 COC(=O)CCCCCNC(=O)[C@@H](C)O 188690a_100000184999_100000717761 [0,1,0,0,0,1|1,0,0]=3 1214 B14R0.534 COC(=O)CCCCCNC(=O)[C@H](C)O 188690a_100000184999_217856618621 [0,1,0,0,0,1|1,0,0]=3 1215 B14R0.534 COC(=O)CCCCNCC(=O)N(C)C 2230a_100015183351_100000204269 [0,1,0,0,0,1|2,0,0]=4 1216 B14R0.534 COC(=O)CCCCOCC(=O)C(=O)C 34a_100000059025_100011261029 [0,1,0,0,0,1|1,0,1]=4 1217 B14R0.534 COC(=O)CCCCOCC(=O)C(C)C 34a_100000059025_100000753385 [0,1,0,0,0,1|1,0,0]=3 1218 B14R0.534 COC(=O)CCCCOCC(=O)C(C)C 7a_100000059025_100000753385 [0,1,0,0,0,1|1,0,0]=3 1219 B14R0.534 COC(=O)CCCCOCC(=O)N(C)C 34a_100000059025_100000692301 [0,1,0,0,0,1|2,0,0]=4 1220 B14R0.534 COC(=O)CCCCOCC(=O)N(C)C 7a_100000059025_100000692301 [0,1,0,0,0,1|2,0,0]=4 1221 B14R0.534 COC(=O)CCCCSCC(=O)C(=O)C 62a_100000204269_100011261029 [0,1,0,0,0,1|1,0,1]=4 1222 B14R0.534 COC(=O)CCCCSCC(=O)C(=O)C 62a_100011261029_100000204269 [0,1,0,0,0,1|1,0,1]=4 1223 B14R0.534 COC(=O)CCCCSCC(=O)C(C)C 62a_100000204269_100000753385 [0,1,0,0,0,1|1,0,0]=3 1224 B14R0.534 COC(=O)CCCCSCC(=O)C(C)C 62a_100000753385_100000204269 [0,1,0,0,0,1|1,0,0]=3 1225 B14R0.534 COC(=O)CCCCSCC(=O)N(C)C 62a_100000204269_100000692301 [0,1,0,0,0,1|2,0,0]=4 1226 B14R0.534 COC(=O)CCCCSCC(=O)N(C)C 62a_100000692301_100000204269 [0,1,0,0,0,1|2,0,0]=4 1227 B14R0.534 COC(=O)CCCNCCC(=O)N(C)C 2230a_100000738053_100011218270 [0,1,0,0,0,1|2,0,0]=4 1228 B14R0.534 COC(=O)CCCOCCC(=O)N(C)C 34a_200000747469_100000742333 [0,1,0,0,0,1|2,0,0]=4 1229 B14R0.534 COC(=O)CCCSCCC(=O)N(C)C 62a_100000737620_100011218270 [0,1,0,0,0,1|2,0,0]=4 1230 B14R0.534 COC(=O)CCCSCCC(=O)N(C)C 62a_100011218270_100000737620 [0,1,0,0,0,1|2,0,0]=4 1231 B14R0.534 COC(=O)CCCSCOC(=O)C(C)C 62a_100000139345_100011218270 [0,1,0,0,0,1|2,0,0]=4 1232 B14R0.534 COC(=O)CCCSCOC(=O)C(C)C 62a_100011218270_100000139345 [0,1,0,0,0,1|2,0,0]=4 1233 B14R0.534 COC(=O)CCNCCCC(=O)N(C)C 2230a_200000744827_100000204255 [0,1,0,0,0,1|2,0,0]=4 1234 B14R0.534 COC(=O)CCNCCNC(=O)C(C)C 2230a_100000752568_100000204255 [0,1,0,0,0,1|2,0,0]=4 1235 B14R0.534 COC(=O)CCNCCNC(=O)C(C)C 34a_100000752568_100000742370 [0,1,0,0,0,1|2,0,0]=4 1236 B14R0.534 COC(=O)CCOCCNC(=O)C(C)C 188690a_100102954618_100000210198 [0,1,0,0,0,1|2,0,0]=4 1237 B14R0.534 COC(=O)CCOCCNC(=O)C(C)F 188690a_100102954618_100000062450 [0,1,0,0,0,1|2,0,0]=4 1238 B14R0.534 COC(=O)CCOCCNC(=O)[C@@H](C)O 188690a_100102954618_100000717761 [0,1,0,0,0,1|2,0,0]=4 1239 B14R0.534 COC(=O)CCOCCNC(=O)[C@H](C)O 188690a_100102954618_217856618621 [0,1,0,0,0,1|2,0,0]=4 1240 B14R0.534 COC(=O)CCSCCCC(=O)N(C)C 62a_100000204255_100000737642 [0,1,0,0,0,1|2,0,0]=4 1241 B14R0.534 COC(=O)CCSCCCC(=O)N(C)C 62a_100000737642_100000204255 [0,1,0,0,0,1|2,0,0]=4 1242 B14R0.534 COC(=O)COCCSCC(=O)C(C)C 62a_100000090808_100000753385 [0,1,0,0,0,1|2,0,0]=4 1243 B14R0.534 COC(=O)COCCSCC(=O)C(C)C 62a_100000753385_100000090808 [0,1,0,0,0,1|2,0,0]=4 1244 B14R0.534 COC(=O)CSCCCCC(=O)N(C)C 62a_100000747449_100000752486 [0,1,0,0,0,1|2,0,0]=4 1245 B14R0.534 COC(=O)CSCCCCC(=O)N(C)C 62a_100000752486_100000747449 [0,1,0,0,0,1|2,0,0]=4 1246 B14R0.247 COC(=O)CCCSC(C)C(=O)C(C)C 62a_100009893295_100011218270 [0,2,0,0,0,0|2,0,0]=4 1247 B14R0.247 COC(=O)CCCSC(C)C(=O)C(C)C 62a_100011218270_100009893295 [0,2,0,0,0,0|2,0,0]=4 1248 B14R0.2656 CC(C)C(=O)C(C)N(C)CCCC(=O)O 269956a_100000719178_100009893295 [0,2,0,0,0,0|2,0,0]=4 1249 B14R0.2688 CC(C)C(=O)C(C)NCC(O)CC(=O)O 269956a_100011218706_100009893295 [0,2,0,0,0,0|2,0,0]=4 1250 B14R0.99 COC(=O)C[C@@H](O)CSCC(=O)C(C)C 62a_100000753385_100000754131 [0,2,0,0,0,0|2,0,0]=4 1251 B14R0.99 COC(=O)C[C@@H](O)CSCC(=O)C(C)C 62a_100000754131_100000753385 [0,2,0,0,0,0|2,0,0]=4 1252 B14R0.553 CC(C)(C)C(=O)CNCC(O)CC(=O)O 269956a_100011218706_100000210923 [0,2,0,0,0,0|2,0,0]=4 1253 B14R0.133 COC(=O)C(C)CCSCC(=O)C(C)C 62a_100000034942_100000753385 [0,2,0,0,0,0|2,0,0]=4 1254 B14R0.133 COC(=O)C(C)CCSCC(=O)C(C)C 62a_100000753385_100000034942 [0,2,0,0,0,0|2,0,0]=4 1255 B14R0.249 C#CC(C)C(=O)CCCCCC(=O)OC 1458a_100009848860_200000035995 [0,2,0,0,0,0|1,0,0]=3 1256 B14R0.249 C/C=C(\C)/C(=O)CCCCCC(=O)OC 1458a_100020587367_100009816466 [0,2,0,0,0,0|1,0,1]=4 1257 B14R0.249 C=CC(C)C(=O)CCCCCC(=O)OC 1458a_100011216780_100009816466 [0,2,0,0,0,0|1,0,0]=3 1258 B14R0.249 C=CC(C)C(=O)NCCCCC(=O)OC 188690a_100000746077_100011216780 [0,2,0,0,0,0|2,0,0]=4 1259 B14R0.249 CCC(C)C(=O)CCCCCC(=O)OC 1458a_100009848860_100000758301 [0,2,0,0,0,0|1,0,0]=3 1260 B14R0.249 CCC(C)C(=O)CCCCCC(=O)OC 1458a_100011192722_100009816466 [0,2,0,0,0,0|1,0,0]=3 1261 B14R0.249 CCC(C)C(=O)NCCCCC(=O)OC 188690a_100000746077_100011192722 [0,2,0,0,0,0|2,0,0]=4 1262 B14R0.249 CCC(O)C(=O)CCCCCC(=O)OC 1458a_100011196387_100009816466 [0,2,0,0,0,0|1,0,0]=3 1263 B14R0.249 CCC(O)C(=O)NCCCCC(=O)OC 188690a_100000746077_100011196387 [0,2,0,0,0,0|2,0,0]=4 1264 B14R0.249 CCN(C)C(=O)CCCCCC(=O)OC 11a_100000225621_100009848860 [0,2,0,0,0,0|2,0,0]=4 1265 B14R0.249 CCN(C)C(=O)CCCCCC(=O)OC 1626a_100000225621_100009848860 [0,2,0,0,0,0|2,0,0]=4 1266 B14R0.249 CCN(C)C(=O)CCCCCC(=O)OC 240690a_100000225621_100009848860 [0,2,0,0,0,0|2,0,0]=4 1267 B14R0.249 CNC(=O)C(=O)CCCCCC(=O)OC 1458a_100011218921_100009816466 [0,2,0,0,0,0|1,0,1]=4 1268 B14R0.249 COC(=O)CCCCCC(=O)C(C)C#N 1458a_100000753662_100009816466 [0,2,0,0,0,0|0,0,1]=3 1269 B14R0.249 COC(=O)CCCCCC(=O)C(C)C#N 1458a_100009848860_100000703298 [0,2,0,0,0,0|0,0,1]=3 1270 B14R0.249 COC(=O)CCCCCC(=O)C(C)OC 1458a_100000743197_100009816466 [0,2,0,0,0,0|1,0,0]=3 1271 B14R0.249 COC(=O)CCCCCC(=O)C(C)SC 1458a_100000149566_100009816466 [0,2,0,0,0,0|1,0,0]=3 1272 B14R0.249 COC(=O)CCCCCC(=O)C(O)CO 1458a_100011215603_100009816466 [0,2,0,0,0,0|1,0,0]=3 1273 B14R0.249 COC(=O)CCCCNC(=O)C(C)C#N 188690a_100000746077_100000753662 [0,2,0,0,0,0|1,0,1]=4 1274 B14R0.249 COC(=O)CCCCNC(=O)C(C)OC 188690a_100000746077_100000743197 [0,2,0,0,0,0|2,0,0]=4 1275 B14R0.249 COC(=O)CCCCNC(=O)C(C)SC 188690a_100000746077_100000149566 [0,2,0,0,0,0|2,0,0]=4 1276 B14R0.249 COC(=O)CCCCNC(=O)C(O)CO 188690a_100000746077_100011215603 [0,2,0,0,0,0|2,0,0]=4 1277 B14R0.315 C=CCC(C)C(=O)CCCCCC(=O)N 1458a_100011216819_100009817443 [0,2,0,0,0,0|2,0,0]=4 1278 B14R0.315 CCCC(C)C(=O)CCCCCC(=O)N 1458a_100000210906_100009817443 [0,2,0,0,0,0|2,0,0]=4 1279 B14R0.315 CCC[C@H](O)C(=O)CCCCCC(=O)N 1458a_100009822183_100009817443 [0,2,0,0,0,0|2,0,0]=4 1280 B14R0.315 CCOC(C)C(=O)CCCCCC(=O)N 1458a_100000739345_100009817443 [0,2,0,0,0,0|2,0,0]=4 1281 B14R0.315 CCSC(C)C(=O)CCCCCC(=O)N 1458a_100000230601_100009817443 [0,2,0,0,0,0|2,0,0]=4 1282 B14R0.315 COCC(C)C(=O)CCCCCC(=O)N 1458a_100000751857_100009817443 [0,2,0,0,0,0|2,0,0]=4 1283 B14R0.315 CSCC(C)C(=O)CCCCCC(=O)N 1458a_100000753918_100009817443 [0,2,0,0,0,0|2,0,0]=4 1284 B14R0.2172 C#CC(C)(C)C(=O)CCCCCC(=O)N 1458a_100000079900_100009817443 [0,2,0,0,0,0|2,0,0]=4 1285 B14R0.2172 C=CC(C)(C)C(=O)CCCCCC(=O)N 1458a_100012027013_100009817443 [0,2,0,0,0,0|2,0,0]=4 1286 B14R0.2172 CC(C)(C#N)C(=O)CCCCCC(=O)N 1458a_100000740761_100009817443 [0,2,0,0,0,0|1,0,1]=4 1287 B14R0.2172 CC(C)(CF)C(=O)CCCCCC(=O)N 1458a_100000138116_100009817443 [0,2,0,0,0,0|2,0,0]=4 1288 B14R0.2172 CC(C)(CO)C(=O)CCCCCC(=O)N 1458a_100000749806_100009817443 [0,2,0,0,0,0|2,0,0]=4 1289 B14R0.2172 CCC(C)(C)C(=O)CCCCCC(=O)N 1458a_100000749717_100009817443 [0,2,0,0,0,0|2,0,0]=4 1290 B14R0.2172 CCC(C)(O)C(=O)CCCCCC(=O)N 1458a_100011219770_100009817443 [0,2,0,0,0,0|2,0,0]=4 1291 B14R0.2172 CCC(F)(F)C(=O)CCCCCC(=O)N 1458a_100000061896_100009817443 [0,2,0,0,0,0|2,0,0]=4 1292 B14R0.2172 COC(C)(C)C(=O)CCCCCC(=O)N 1458a_100000753492_100009817443 [0,2,0,0,0,0|2,0,0]=4 1293 B14R0.2631 CCC(CC)C(=O)CCCCCC(=O)N 1458a_100000211163_100009817443 [0,2,0,0,0,0|2,0,0]=4 1294 B14R0.2631 CCC(OC)C(=O)CCCCCC(=O)N 1458a_100000747056_100009817443 [0,2,0,0,0,0|2,0,0]=4 1295 B14R0.2631 COC(OC)C(=O)CCCCCC(=O)N 1458a_100000046285_100009817443 [0,2,0,0,0,0|2,0,0]=4 1296 B14R0.23 COC(=O)CCCC(=O)CC(=O)C(C)C 1458a_100000239890_100000753385 [0,2,0,0,0,0|1,0,1]=4 1297 B14R0.23 COC(=O)CCCN(C)CC(=O)C(C)C 269982a_100000739225_100000753385 [0,2,0,0,0,0|2,0,0]=4 1298 B14R0.35 C=C(C)C(=O)CCCCCC(=O)OCC 1458a_100000185857_100000755133 [0,2,0,0,0,0|1,0,1]=4 1299 B14R0.35 CCOC(=O)CCCCCC(=O)C(C)C 1458a_100000037472_100000210206 [0,2,0,0,0,0|1,0,0]=3 1300 B14R0.35 CCOC(=O)CCCCCC(=O)C(C)C 1458a_100000210198_100000755133 [0,2,0,0,0,0|1,0,0]=3 1301 B14R0.35 CCOC(=O)CCCCCC(=O)C(C)F 1458a_100000062450_100000755133 [0,2,0,0,0,0|1,0,0]=3 1302 B14R0.35 CCOC(=O)CCCCCC(=O)C(O)O 1458a_100000233687_100000755133 [0,2,0,0,0,0|2,0,0]=4 1303 B14R0.35 CCOC(=O)CCCCCC(=O)N(C)C 11a_100102631434_100000037472 [0,2,0,0,0,0|2,0,0]=4 1304 B14R0.35 CCOC(=O)CCCCCC(=O)N(C)C 1626a_100102631434_100000037472 [0,2,0,0,0,0|2,0,0]=4 1305 B14R0.35 CCOC(=O)CCCCCC(=O)N(C)C 240690a_100102631434_100000037472 [0,2,0,0,0,0|2,0,0]=4 1306 B14R0.35 CCOC(=O)CCCCCC(=O)N(C)C 527a_100102631434_100000037472 [0,2,0,0,0,0|2,0,0]=4 1307 B14R0.35 CCOC(=O)CCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000755133 [0,2,0,0,0,0|1,0,0]=3 1308 B14R0.35 CCOC(=O)CCCCCC(=O)[C@H](C)O 1458a_217856618621_100000755133 [0,2,0,0,0,0|1,0,0]=3 1309 B14R0.35 CCOC(=O)CCCCNC(=O)C(C)C 188690a_100000718961_100000210198 [0,2,0,0,0,0|2,0,0]=4 1310 B14R0.35 CCOC(=O)CCCCNC(=O)C(C)F 188690a_100000718961_100000062450 [0,2,0,0,0,0|2,0,0]=4 1311 B14R0.35 CCOC(=O)CCCCNC(=O)[C@@H](C)O 188690a_100000718961_100000717761 [0,2,0,0,0,0|2,0,0]=4 1312 B14R0.35 CCOC(=O)CCCCNC(=O)[C@H](C)O 188690a_100000718961_217856618621 [0,2,0,0,0,0|2,0,0]=4 1313 B14R0.35 CCOC(=O)CCCOCC(=O)C(C)C 7a_100012001163_100000753385 [0,2,0,0,0,0|2,0,0]=4 1314 B14R0.35 CCOC(=O)CCCSCC(=O)C(C)C 62a_100000753385_100009991533 [0,2,0,0,0,0|2,0,0]=4 1315 B14R0.35 CCOC(=O)CCCSCC(=O)C(C)C 62a_100009991533_100000753385 [0,2,0,0,0,0|2,0,0]=4 1316 B14R0.35 CCOC(=O)COCCCC(=O)C(C)C 1458a_100000210198_100009893628 [0,2,0,0,0,0|2,0,0]=4 1317 B14R0.35 CCOC(=O)COCCCC(=O)C(C)F 1458a_100000062450_100009893628 [0,2,0,0,0,0|2,0,0]=4 1318 B14R0.35 CCOC(=O)COCCCC(=O)[C@@H](C)O 1458a_100000717761_100009893628 [0,2,0,0,0,0|2,0,0]=4 1319 B14R0.35 CCOC(=O)COCCCC(=O)[C@H](C)O 1458a_217856618621_100009893628 [0,2,0,0,0,0|2,0,0]=4 1320 B14R0.308 COC(=O)CCCCCC(=O)C(C)(C)C 1458a_106744555173_100009816466 [0,2,0,0,0,0|1,0,0]=3 1321 B14R0.308 COC(=O)CCCCCC(=O)C(C)(C)F 1458a_100000765255_100009816466 [0,2,0,0,0,0|1,0,0]=3 1322 B14R0.308 COC(=O)CCCCCC(=O)C(C)(C)O 1458a_100000242741_100009816466 [0,2,0,0,0,0|1,0,0]=3 1323 B14R0.308 COC(=O)CCCCCC(=O)C(F)(F)F 1458a_100009848860_200000243211 [0,2,0,0,0,0|2,0,0]=4 1324 B14R0.308 COC(=O)CCCCCC(=O)C(F)(F)F 1458a_100015355933_100009816466 [0,2,0,0,0,0|2,0,0]=4 1325 B14R0.308 COC(=O)CCCCNC(=O)C(C)(C)C 188690a_100000746077_106744555173 [0,2,0,0,0,0|2,0,0]=4 1326 B14R0.308 COC(=O)CCCCNC(=O)C(C)(C)F 188690a_100000746077_100000765255 [0,2,0,0,0,0|2,0,0]=4 1327 B14R0.308 COC(=O)CCCCNC(=O)C(C)(C)O 188690a_100000746077_100000242741 [0,2,0,0,0,0|2,0,0]=4 1328 B14R0.308 COC(=O)CCCOCC(=O)C(C)(C)C 34a_200011592769_100000742333 [0,2,0,0,0,0|2,0,0]=4 1329 B14R0.308 COC(=O)CCCOCC(=O)C(C)(C)C 7a_200011592769_100011218270 [0,2,0,0,0,0|2,0,0]=4 1330 B14R0.308 COC(=O)CCCSCC(=O)C(C)(C)C 62a_100000210923_100011218270 [0,2,0,0,0,0|2,0,0]=4 1331 B14R0.308 COC(=O)CCCSCC(=O)C(C)(C)C 62a_100011218270_100000210923 [0,2,0,0,0,0|2,0,0]=4 1332 B14R0.2655 CN(CCCC(=O)O)CC(=O)C(C)(C)C 269956a_100000719178_100000210923 [0,2,0,0,0,0|2,0,0]=4 1333 B12R1.261 CC(C)N1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210206 [1,0,0,1,0,0|2,0,0]=4 1334 B12R1.43 CC(C)C(=O)CC1CCCCO1 1458a_100000210198_100000211543 [1,0,0,1,0,0|1,0,1]=4 1335 B12R1.43 CC(C)C(=O)CC1CCCCO1 1458a_100000238585_100000210206 [1,0,0,1,0,0|1,0,1]=4 1336 B12R1.43 CC(F)C(=O)CC1CCCCO1 1458a_100000062450_100000211543 [1,0,0,1,0,0|1,0,1]=4 1337 B12R1.43 C[C@@H](O)C(=O)CC1CCCCO1 1458a_100000717761_100000211543 [1,0,0,1,0,0|1,0,1]=4 1338 B12R1.43 C[C@H](O)C(=O)CC1CCCCO1 1458a_217856618621_100000211543 [1,0,0,1,0,0|1,0,1]=4 1339 B12R1.124 C=C(C)C(=O)C1CCCCC1=O 1458a_100000185857_100000204591 [1,0,0,1,0,0|1,0,1]=4 1340 B12R1.124 CC(C)C(=O)C1CCCCC1=O 1458a_100000210198_100000204591 [1,0,0,1,0,0|1,0,0]=3 1341 B12R1.124 CC(C)C(=O)C1CCCCC1O 1458a_100011803323_100000210206 [1,0,0,1,0,0|1,0,1]=4 1342 B12R1.124 CC(C)C(=O)C1CCCNC1=O 1458a_100000087122_100000210206 [1,0,0,1,0,0|2,0,0]=4 1343 B12R1.124 CC(C)C(=O)C1CCCNC1=O 1458a_100000210198_100000687798 [1,0,0,1,0,0|2,0,0]=4 1344 B12R1.124 CC(C)C(=O)C1COCCC1=O 1458a_100000210198_100012180262 [1,0,0,1,0,0|2,0,0]=4 1345 B12R1.124 CC(F)C(=O)C1CCCCC1=O 1458a_100000062450_100000204591 [1,0,0,1,0,0|1,0,0]=3 1346 B12R1.124 CC(F)C(=O)C1CCCNC1=O 1458a_100000062450_100000687798 [1,0,0,1,0,0|2,0,0]=4 1347 B12R1.124 CC(F)C(=O)C1COCCC1=O 1458a_100000062450_100012180262 [1,0,0,1,0,0|2,0,0]=4 1348 B12R1.124 C[C@@H](O)C(=O)C1CCCCC1=O 1458a_100000717761_100000204591 [1,0,0,1,0,0|1,0,0]=3 1349 B12R1.124 C[C@@H](O)C(=O)C1CCCNC1=O 1458a_100000717761_100000687798 [1,0,0,1,0,0|2,0,0]=4 1350 B12R1.124 C[C@@H](O)C(=O)C1COCCC1=O 1458a_100000717761_100012180262 [1,0,0,1,0,0|2,0,0]=4 1351 B12R1.124 C[C@H](O)C(=O)C1CCCCC1=O 1458a_217856618621_100000204591 [1,0,0,1,0,0|1,0,0]=3 1352 B12R1.124 C[C@H](O)C(=O)C1CCCNC1=O 1458a_217856618621_100000687798 [1,0,0,1,0,0|2,0,0]=4 1353 B12R1.124 C[C@H](O)C(=O)C1COCCC1=O 1458a_217856618621_100012180262 [1,0,0,1,0,0|2,0,0]=4 1354 B12R1.124 O=C1CCCCC1C(=O)C(O)O 1458a_100000233687_100000204591 [1,0,0,1,0,0|2,0,0]=4 1355 B12R1.145 CC(C)C(=O)CN1CCCC1=O 1458a_100000189602_100000210206 [1,0,0,1,0,0|2,0,0]=4 1356 B12R1.231 C=C(C)C(=O)CCC1CCC1=O 1458a_100000185857_200016118888 [1,0,0,1,0,0|1,0,1]=4 1357 B12R1.231 CC(C)C(=O)CCC1CCC1=O 1458a_100000210198_200016118888 [1,0,0,1,0,0|1,0,0]=3 1358 B12R1.231 CC(C)C(=O)CSC1CCC1=O 62a_100000753385_100009892977 [1,0,0,1,0,0|2,0,0]=4 1359 B12R1.231 CC(C)C(=O)CSC1CCC1=O 62a_100009892977_100000753385 [1,0,0,1,0,0|2,0,0]=4 1360 B12R1.231 CC(F)C(=O)CCC1CCC1=O 1458a_100000062450_200016118888 [1,0,0,1,0,0|1,0,0]=3 1361 B12R1.231 C[C@@H](O)C(=O)CCC1CCC1=O 1458a_100000717761_200016118888 [1,0,0,1,0,0|1,0,0]=3 1362 B12R1.231 C[C@H](O)C(=O)CCC1CCC1=O 1458a_217856618621_200016118888 [1,0,0,1,0,0|1,0,0]=3 1363 B12R1.231 O=C(CCC1CCC1=O)C(O)O 1458a_100000233687_200016118888 [1,0,0,1,0,0|2,0,0]=4 1364 B12R1.264 CC(C)C(=O)CCC1CCCO1 1458a_100011247709_100000210206 [1,0,0,1,0,0|1,0,1]=4 1365 B12R1.923 C=CCCCCCC(=O)C1CC1 1458a_100000210395_100000700193 [1,0,0,1,0,0|2,0,0]=4 1366 B12R1.923 C=CCCCCCC(=O)C1CO1 1458a_100000701028_100000700193 [1,0,0,1,0,0|2,0,0]=4 1367 B12R1.923 O=C(CCCCCCO)C1CC1 1458a_100000210395_100000766143 [1,0,0,1,0,0|1,0,1]=4 1368 B12R1.923 O=C(CCCCCCO)C1CO1 1458a_100000701028_100000766143 [1,0,0,1,0,0|1,0,1]=4 1369 B12R1.923 O=CCCCSCC(=O)C1CC1 62a_100000746382_200011292268 [1,0,0,1,0,0|2,0,0]=4 1370 B12R1.923 O=CCCCSCC(=O)C1CC1 62a_200011292268_100000746382 [1,0,0,1,0,0|2,0,0]=4 1371 B12R1.21 NC(=O)COC1CCC(=O)CC1 34a_100000764474_100000187820 [1,0,0,1,0,0|2,0,0]=4 1372 B12R1.21 NC(=O)COC1CCC(=O)CC1 7a_100000764474_100000187820 [1,0,0,1,0,0|2,0,0]=4 1373 B12R1.21 O=C([O-])COC1CCC(=O)CC1 34a_100000764474_100020667443 [1,0,0,1,0,0|1,0,1]=4 1374 B12R1.26 CCC(=O)CCC1COS(=O)O1 1458a_100000210414_100009840081 [1,0,0,1,0,0|2,0,0]=4 1375 B12R1.26 CCC(=O)COC1COC(=O)O1 34a_100000725409_100000032252 [1,0,0,1,0,0|2,0,0]=4 1376 B12R1.26 CCC(=O)CSC1COC(=O)O1 62a_100000747405_100000032252 [1,0,0,1,0,0|2,0,0]=4 1377 B12R1.26 CCC(=O)NC[C@H]1CCC(=O)N1 11a_100015423886_100000210414 [1,0,0,1,0,0|2,0,0]=4 1378 B12R1.26 CCC(=O)NC[C@H]1CCC(=O)N1 1626a_100015423886_100000210414 [1,0,0,1,0,0|2,0,0]=4 1379 B12R1.26 CCC(=O)NC[C@H]1CCC(=O)N1 240690a_100015423886_100000210414 [1,0,0,1,0,0|2,0,0]=4 1380 B12R1.26 CCC(=O)NC[C@H]1CCC(=O)N1 527a_100015423886_100000210414 [1,0,0,1,0,0|2,0,0]=4 1381 B12R1.229 CC(=O)CCCOC1CCC1=O 34a_100000759063_100009892977 [1,0,0,1,0,0|2,0,0]=4 1382 B12R1.229 CC(=O)CCCOC1CCC1=O 7a_100000759063_100009892977 [1,0,0,1,0,0|2,0,0]=4 1383 B12R1.229 CC(=O)CCCSC1CCC1=O 62a_100009892977_100011215641 [1,0,0,1,0,0|2,0,0]=4 1384 B12R1.229 CC(=O)CCCSC1CCC1=O 62a_100011215641_100009892977 [1,0,0,1,0,0|2,0,0]=4 1385 B12R1.229 NC(=O)CCCNC1CCC1=O 34a_100000739312_100009892977 [1,0,0,1,0,0|2,0,0]=4 1386 B12R1.229 NC(=O)CCCSC1CCC1=O 62a_100009892977_100102525003 [1,0,0,1,0,0|2,0,0]=4 1387 B12R1.229 NC(=O)CCCSC1CCC1=O 62a_100102525003_100009892977 [1,0,0,1,0,0|2,0,0]=4 1388 B12R1.229 NC(=O)CNCCC1CCC1=O 2230a_100000711301_200016118888 [1,0,0,1,0,0|2,0,0]=4 1389 B12R1.229 NC(=O)CSCCC1CCC1=O 62a_100000747473_200016118888 [1,0,0,1,0,0|2,0,0]=4 1390 B12R1.229 NC(=O)CSCCC1CCC1=O 62a_200016118888_100000747473 [1,0,0,1,0,0|2,0,0]=4 1391 B12R1.229 O=C(O)CNCCC1CCC1=O 269956a_100016091260_200016118888 [1,0,0,1,0,0|1,0,0]=3 1392 B12R1.229 O=C([O-])CSCCC1CCC1=O 62a_100020667443_200016118888 [1,0,0,1,0,0|1,0,1]=4 1393 B12R1.229 O=C([O-])CSCCC1CCC1=O 62a_200016118888_100020667443 [1,0,0,1,0,0|1,0,1]=4 1394 B12R1.368 CCC(=O)C1CCCN1C(=O)N 1458a_200000183025_100000210202 [1,0,0,1,0,0|2,0,0]=4 1395 B12R1.368 CCC(=O)N1CCCC1C(=O)C 1458a_200000194913_200000210301 [1,0,0,1,0,0|2,0,0]=4 1396 B12R1.368 CCC(=O)N1CCCC1C(=O)[13CH3] 1458a_200000194913_200025704644 [1,0,0,1,0,0|2,0,0]=4 1397 B12R1.368 CCC(=O)N1CCC[C@H]1C(=O)N 11a_100000003125_100000210414 [1,0,0,1,0,0|2,0,0]=4 1398 B12R1.368 CCC(=O)N1CCC[C@H]1C(=O)N 240690a_100000003125_100000210414 [1,0,0,1,0,0|2,0,0]=4 1399 B12R1.368 CCC(=O)N1CCC[C@H]1C(=O)N 527a_100000003125_100000210414 [1,0,0,1,0,0|2,0,0]=4 1400 B12R1.368 CCC(=O)[C@@H]1CCCN1C(=O)C 1458a_100011416801_100000210202 [1,0,0,1,0,0|2,0,0]=4 1401 B12R1.394 CCC(=O)CSCC1CC(=O)C1 62a_100000747405_100009874392 [1,0,0,1,0,0|2,0,0]=4 1402 B12R1.394 CCC(=O)CSCC1CC(=O)C1 62a_100009874392_100000747405 [1,0,0,1,0,0|2,0,0]=4 1403 B12R1.438 CCN1CCCC(C1)CC(=O)O 269956a_100015207179_100000210202 [1,0,0,1,0,0|2,0,0]=4 1404 B12R1.1668 CCC(=O)CN1CCC1C(=O)O 269956a_100000021838_100000747405 [1,0,0,1,0,0|1,0,0]=3 1405 B12R1.1668 CNC(=O)CN1CCC1C(=O)O 269956a_100000021838_100000183359 [1,0,0,1,0,0|2,0,0]=4 1406 B12R1.1668 COC(=O)CN1CCC1C(=O)O 269956a_100000021838_100000747449 [1,0,0,1,0,0|2,0,0]=4 1407 B12R1.104 CC(C)C(=O)CC1CCC(=O)N1 1458a_100000026770_100000210206 [0,0,0,1,1,0|2,0,0]=4 1408 B12R1.104 CC(C)C(=O)CC1CNC(=O)O1 1458a_100000210198_100000181169 [0,0,0,1,1,0|2,0,0]=4 1409 B12R1.104 CC(C)C(=O)CC1COC(=O)O1 1458a_100000210198_100000073702 [0,0,0,1,1,0|2,0,0]=4 1410 B12R1.104 CC(C)C(=O)C[C@@H]1CCC(=O)N1 1458a_100000210198_100015189358 [0,0,0,1,1,0|2,0,0]=4 1411 B12R1.104 CC(F)C(=O)CC1CNC(=O)O1 1458a_100000062450_100000181169 [0,0,0,1,1,0|2,0,0]=4 1412 B12R1.104 CC(F)C(=O)CC1COC(=O)O1 1458a_100000062450_100000073702 [0,0,0,1,1,0|2,0,0]=4 1413 B12R1.104 CC(F)C(=O)C[C@@H]1CCC(=O)N1 1458a_100000062450_100015189358 [0,0,0,1,1,0|2,0,0]=4 1414 B12R1.104 C[C@@H](O)C(=O)CC1CNC(=O)O1 1458a_100000717761_100000181169 [0,0,0,1,1,0|2,0,0]=4 1415 B12R1.104 C[C@@H](O)C(=O)CC1COC(=O)O1 1458a_100000717761_100000073702 [0,0,0,1,1,0|2,0,0]=4 1416 B12R1.104 C[C@@H](O)C(=O)C[C@@H]1CCC(=O)N1 1458a_100000717761_100015189358 [0,0,0,1,1,0|2,0,0]=4 1417 B12R1.104 C[C@H](O)C(=O)CC1CNC(=O)O1 1458a_217856618621_100000181169 [0,0,0,1,1,0|2,0,0]=4 1418 B12R1.104 C[C@H](O)C(=O)CC1COC(=O)O1 1458a_217856618621_100000073702 [0,0,0,1,1,0|2,0,0]=4 1419 B12R1.104 C[C@H](O)C(=O)C[C@@H]1CCC(=O)N1 1458a_217856618621_100015189358 [0,0,0,1,1,0|2,0,0]=4 1420 B12R1.225 CC(C)C(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_100000210206 [0,0,0,1,1,0|2,0,0]=4 1421 B12R1.1356 CC(=O)CCCCC(=O)C1CC1 1458a_100000210395_100000735457 [0,0,0,1,1,0|2,0,0]=4 1422 B12R1.1356 CC(=O)CCCCC(=O)C1CO1 1458a_100000701028_100000735457 [0,0,0,1,1,0|2,0,0]=4 1423 B14R1.5900 CC1CC1C(=O)CCCCCC(=O)N 1458a_100000211227_100009817443 [0,0,0,1,0,1|2,0,0]=4 1424 B14R1.5900 NC(=O)CCCCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100009817443 [0,0,0,1,0,1|2,0,0]=4 1425 B14R1.6405 NC(=O)CCCCCC(=O)CC1CC1 1458a_100000738066_100009817443 [0,0,0,1,0,1|2,0,0]=4 1426 B14R1.13046 CC(C)NC(=O)CN1CCC1C(=O)O 269956a_100000021838_100000183996 [0,0,0,1,0,1|2,0,0]=4 1427 B14R1.13046 CC(C)OC(=O)CN1CCC1C(=O)O 269956a_100000021838_100011215430 [0,0,0,1,0,1|2,0,0]=4 1428 B14R1.130 CC(C)C(=O)CNC[C@H]1CCC(=O)N1 2230a_100015423886_100000753385 [0,0,0,1,0,1|2,0,0]=4 1429 B14R1.130 CC(C)C(=O)CNC[C@H]1CCC(=O)N1 34a_100015423886_100000753385 [0,0,0,1,0,1|2,0,0]=4 1430 B14R1.130 CC(C)C(=O)COCC1CCC(=O)N1 34a_100000737831_100000753385 [0,0,0,1,0,1|2,0,0]=4 1431 B14R1.130 CC(C)C(=O)COCC1CNC(=O)O1 34a_100011315639_100000753385 [0,0,0,1,0,1|2,0,0]=4 1432 B14R1.130 CC(C)C(=O)CSCC1CNC(=O)O1 62a_100000181169_100000753385 [0,0,0,1,0,1|2,0,0]=4 1433 B14R1.130 CC(C)C(=O)CSCC1CNC(=O)O1 62a_100000753385_100000181169 [0,0,0,1,0,1|2,0,0]=4 1434 B14R1.130 CC(C)C(=O)CSCC1COC(=O)O1 62a_100000073702_100000753385 [0,0,0,1,0,1|2,0,0]=4 1435 B14R1.130 CC(C)C(=O)CSCC1COC(=O)O1 62a_100000753385_100000073702 [0,0,0,1,0,1|2,0,0]=4 1436 B14R1.130 CC(C)C(=O)CSC[C@@H]1CCC(=O)N1 62a_100000753385_100015189358 [0,0,0,1,0,1|2,0,0]=4 1437 B14R1.130 CC(C)C(=O)CSC[C@@H]1CCC(=O)N1 62a_100015189358_100000753385 [0,0,0,1,0,1|2,0,0]=4 1438 B14R1.429 CC(=O)N1CCCCC1C(=O)C(C)C 1458a_100000195068_100000210206 [0,0,0,1,0,1|2,0,0]=4 1439 B14R1.429 CC(C)C(=O)N1CCCCC1C(=O)N 1626a_100000181395_100000210198 [0,0,0,1,0,1|2,0,0]=4 1440 B14R1.429 CC(C)C(=O)N1CCCCC1C(=O)N 527a_100000181395_100000210198 [0,0,0,1,0,1|2,0,0]=4 1441 B14R1.429 CC(C)C(=O)[C@@H]1CCCC[C@H]1C(=O)N 1458a_200009911122_100000210206 [0,0,0,1,0,1|2,0,0]=4 1442 B14R1.429 CC(F)C(=O)N1CCCCC1C(=O)N 1626a_100000181395_100000062450 [0,0,0,1,0,1|2,0,0]=4 1443 B14R1.429 CC(F)C(=O)N1CCCCC1C(=O)N 527a_100000181395_100000062450 [0,0,0,1,0,1|2,0,0]=4 1444 B14R1.429 C[C@H](O)C(=O)N1CCCCC1C(=O)N 1626a_100000181395_217856618621 [0,0,0,1,0,1|2,0,0]=4 1445 B14R1.5956 CC(C)C(=O)COC1CCCC(=O)C1 34a_100012613340_100000753385 [0,0,0,1,0,1|2,0,0]=4 1446 B14R1.6308 CC(=O)C(=O)CN1CCC[C@H]1C(=O)O 269956a_100000743916_100011261029 [0,0,0,1,0,1|1,0,1]=4 1447 B14R1.6308 CC(C)C(=O)CN1CCC[C@H]1C(=O)N 2230a_100000003125_100000753385 [0,0,0,1,0,1|2,0,0]=4 1448 B14R1.6308 CC(C)C(=O)CN1CCC[C@H]1C(=O)O 269956a_100000743916_100000753385 [0,0,0,1,0,1|1,0,0]=3 1449 B14R1.6308 CC(C)C(=O)CN1CCSC1C(=O)O 269956a_100000035718_100000753385 [0,0,0,1,0,1|2,0,0]=4 1450 B14R1.6308 CC(C)C(=O)CN1CSC[C@H]1C(=O)O 269956a_100000743924_100000753385 [0,0,0,1,0,1|2,0,0]=4 1451 B14R1.6308 CN(C)C(=O)CN1CCC[C@H]1C(=O)O 269956a_100000743916_100000692301 [0,0,0,1,0,1|2,0,0]=4 1452 B14R1.6422 CN(C)C(=O)CCN1CCC1C(=O)O 269956a_100000021838_100000737620 [0,0,0,1,0,1|2,0,0]=4 1453 B14R1.6452 CC(=O)CCCCOCC(=O)C1CC1 34a_100000686663_100009817362 [0,0,0,1,0,1|2,0,0]=4 1454 B14R1.6452 CC(=O)CCCCSCC(=O)C1CC1 62a_100000735457_100000746382 [0,0,0,1,0,1|2,0,0]=4 1455 B14R1.6452 CC(=O)CCCCSCC(=O)C1CC1 62a_100000746382_100000735457 [0,0,0,1,0,1|2,0,0]=4 1456 B14R1.6452 CC(=O)OCCCCCC(=O)C1CC1 1458a_100000210395_100000033007 [0,0,0,1,0,1|2,0,0]=4 1457 B14R1.6452 CC(=O)OCCCCCC(=O)C1CO1 1458a_100000701028_100000033007 [0,0,0,1,0,1|2,0,0]=4 1458 B14R1.6452 NC(=O)CCCCNCC(=O)C1CC1 34a_100000696515_100000746382 [0,0,0,1,0,1|2,0,0]=4 1459 B14R1.6452 NC(=O)CCCCOCC(=O)C1CC1 34a_100012022536_100000746382 [0,0,0,1,0,1|2,0,0]=4 1460 B14R1.6452 NC(=O)CCCCOCC(=O)C1CC1 7a_100012022536_100000746382 [0,0,0,1,0,1|2,0,0]=4 1461 B14R1.6452 O=C(O)COCCNCC(=O)C1CC1 269956a_100000700818_100000746382 [0,0,0,1,0,1|2,0,0]=4 1462 B14R1.6409 CC(C)C(=O)C(C)N1CCC1C(=O)O 269956a_100000021838_100009893295 [0,1,0,1,0,0|2,0,0]=4 1463 B14R1.16351 CC(C)C(=O)CN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100000753385 [0,1,0,1,0,0|2,0,0]=4 1464 B14R1.6327 CC(C)C(=O)CN1CC(C1)CC(=O)O 269956a_100016993960_100000753385 [0,1,0,1,0,0|2,0,0]=4 1465 B14R1.13056 O=C(O)CC(O)CNCC(=O)C1CC1 269956a_100011218706_100000746382 [0,1,0,1,0,0|2,0,0]=4 1466 B14R1.1004 CN[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O 269956a_100011424839_200000210301 [0,1,0,1,0,0|1,0,0]=3 1467 B14R1.1004 C[C@H](N[13CH3])C(=O)N1CCC[C@H]1C(=O)O 269956a_100011424839_200025704644 [0,1,0,1,0,0|1,0,0]=3 1468 B14R1.6403 NC(=O)CCCCCC(=O)C1CCC1 1458a_100000209988_100009817443 [0,1,0,1,0,0|2,0,0]=4 1469 B14R1.6403 NC(=O)CCCCCC(=O)C1CCO1 1458a_100000089072_100009817443 [0,1,0,1,0,0|2,0,0]=4 1470 B14R1.6403 NC(=O)CCCCCC(=O)C1COC1 1458a_100000758290_100009817443 [0,1,0,1,0,0|2,0,0]=4 1471 B14R1.6404 CC1(CC1)C(=O)CCCCCC(=O)N 1458a_100000756474_100009817443 [0,1,0,1,0,0|2,0,0]=4 1472 B14R1.6404 NC(=O)CCCCCC(=O)C1(CC1)F 1458a_100000055089_100009817443 [0,1,0,1,0,0|2,0,0]=4 1473 B14R1.6404 NC(=O)CCCCCC(=O)C1(CC1)O 1458a_100000241761_100009817443 [0,1,0,1,0,0|2,0,0]=4 1474 B14R1.750 COC(=O)[C@@H]1CCCN1C(=O)C(C)C 11a_100000752040_100000210198 [0,1,0,1,0,0|2,0,0]=4 1475 B14R1.750 COC(=O)[C@@H]1CCCN1C(=O)C(C)C 1626a_100000752040_100000210198 [0,1,0,1,0,0|2,0,0]=4 1476 B14R1.750 COC(=O)[C@@H]1CCCN1C(=O)C(C)C 240690a_100000752040_100000210198 [0,1,0,1,0,0|2,0,0]=4 1477 B14R1.750 COC(=O)[C@@H]1CCCN1C(=O)C(C)C 527a_100000752040_100000210198 [0,1,0,1,0,0|2,0,0]=4 1478 B14R1.750 COC(=O)[C@@H]1CCCN1C(=O)C(C)F 11a_100000752040_100000062450 [0,1,0,1,0,0|2,0,0]=4 1479 B14R1.750 COC(=O)[C@@H]1CCCN1C(=O)C(C)F 1626a_100000752040_100000062450 [0,1,0,1,0,0|2,0,0]=4 1480 B14R1.750 COC(=O)[C@@H]1CCCN1C(=O)C(C)F 240690a_100000752040_100000062450 [0,1,0,1,0,0|2,0,0]=4 1481 B14R1.750 COC(=O)[C@@H]1CCCN1C(=O)C(C)F 527a_100000752040_100000062450 [0,1,0,1,0,0|2,0,0]=4 1482 B14R1.750 COC(=O)[C@@H]1CCCN1C(=O)[C@@H](C)O 240690a_100000752040_100000717761 [0,1,0,1,0,0|2,0,0]=4 1483 B14R1.750 COC(=O)[C@@H]1CCCN1C(=O)[C@H](C)O 1626a_100000752040_217856618621 [0,1,0,1,0,0|2,0,0]=4 1484 B14R1.750 COC(=O)[C@@H]1CCCN1C(=O)[C@H](C)O 240690a_100000752040_217856618621 [0,1,0,1,0,0|2,0,0]=4 1485 B14R1.1129 COC(=O)CCCCCC(=O)C1CC1 1458a_100000210395_100009816466 [0,1,0,1,0,0|1,0,0]=3 1486 B14R1.1129 COC(=O)CCCCCC(=O)C1CO1 1458a_100000701028_100009816466 [0,1,0,1,0,0|1,0,0]=3 1487 B14R1.1129 COC(=O)CCCCNC(=O)C1CC1 188690a_100000746077_100000210395 [0,1,0,1,0,0|2,0,0]=4 1488 B14R1.1129 COC(=O)CCCCNC(=O)C1CO1 188690a_100000746077_100000701028 [0,1,0,1,0,0|2,0,0]=4 1489 B14R1.1129 COC(=O)CCCOCC(=O)C1CC1 34a_100000686663_100000742333 [0,1,0,1,0,0|2,0,0]=4 1490 B14R1.1129 COC(=O)CCCSCC(=O)C1CC1 62a_100000746382_100011218270 [0,1,0,1,0,0|2,0,0]=4 1491 B14R1.1129 COC(=O)CCCSCC(=O)C1CC1 62a_100011218270_100000746382 [0,1,0,1,0,0|2,0,0]=4 1492 B14R1.1131 COC(=O)[C@@H]1CCN1CC(=O)C(C)C 2230a_102516456887_100000753385 [0,1,0,1,0,0|2,0,0]=4 1493 B14R1.1131 COC(=O)[C@@H]1CCN1CC(=O)C(C)C 269982a_102516456887_100000753385 [0,1,0,1,0,0|2,0,0]=4 1494 B14R1.4267 CC(C)C(=O)CC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000753385 [0,1,0,1,0,0|1,0,1]=4 1495 B14R1.6365 CN(CCCC(=O)O)CC(=O)C1CC1 269956a_100000719178_100000746382 [0,1,0,1,0,0|2,0,0]=4 1496 B14R1.16344 CC(C)(C)C(=O)CN1CCC1C(=O)O 269956a_100000021838_100000210923 [0,1,0,1,0,0|2,0,0]=4 1497 B14R2.8372 CC(C)C(=O)[C@@H]1C[C@@H]2CC1C(=O)O2 1458a_200045396503_100000210206 [0,0,0,2,0,0|1,0,0]=3 1498 B14R2.8372 CC(C)C(=O)[C@@H]1C[C@@H]2C[C@H]1C(=O)O2 1458a_200121570381_100000210206 [0,0,0,2,0,0|1,0,0]=3 1499 B14R2.8372 CN(C)C(=O)[C@@H]1C[C@@H]2CC1C(=O)O2 11a_100102631434_200045396503 [0,0,0,2,0,0|2,0,0]=4 1500 B14R2.8372 CN(C)C(=O)[C@@H]1C[C@@H]2CC1C(=O)O2 1626a_100102631434_200045396503 [0,0,0,2,0,0|2,0,0]=4 1501 B14R2.8372 CN(C)C(=O)[C@@H]1C[C@@H]2CC1C(=O)O2 240690a_100102631434_200045396503 [0,0,0,2,0,0|2,0,0]=4 1502 B14R2.8372 CN(C)C(=O)[C@@H]1C[C@@H]2CC1C(=O)O2 527a_100102631434_200045396503 [0,0,0,2,0,0|2,0,0]=4 1503 B14R2.8372 CN(C)C(=O)[C@@H]1C[C@@H]2C[C@H]1C(=O)O2 240690a_100102631434_200121570381 [0,0,0,2,0,0|2,0,0]=4 1504 B14R2.31452 O=C(CN1CCC1C(=O)O)C2CC2 269956a_100000021838_100000746382 [0,0,0,2,0,0|2,0,0]=4 1505 B10R0.55 CC(=O)CCCCC(=O)CO 1458a_100000210174_100000735457 [1,0,0,0,1,0|2,0,0]=4 1506 B10R0.55 CCC(=O)CCCCB(O)O 1458a_100000210414_200009817182 [1,0,0,0,1,0|1,0,1]=4 1507 B10R0.55 CCC(=O)CCCCC(=O)C 1458a_100000210414_100000735457 [1,0,0,0,1,0|1,0,0]=3 1508 B10R0.55 CCC(=O)CCCNC(=O)C 1458a_100000194741_100000210202 [1,0,0,0,1,0|2,0,0]=4 1509 B10R0.55 CCC(=O)CCCOC(=O)C 1458a_100000210414_100000042594 [1,0,0,0,1,0|2,0,0]=4 1510 B10R0.55 CCC(=O)CCCSC(=O)C 1458a_100000210414_100000038929 [1,0,0,0,1,0|2,0,0]=4 1511 B10R0.55 CCC(=O)CCOCC(=O)N 1458a_100000210414_100000076697 [1,0,0,0,1,0|2,0,0]=4 1512 B10R0.55 CCC(=O)CCSCC(=O)N 1458a_100000148550_100000210202 [1,0,0,0,1,0|2,0,0]=4 1513 B10R0.55 CCC(=O)CNOCC(=O)O 269956a_100000106656_100000747405 [1,0,0,0,1,0|2,0,0]=4 1514 B10R0.55 CCC(=O)COCCC(=O)C 7a_100000759926_100000747405 [1,0,0,0,1,0|2,0,0]=4 1515 B10R0.55 CCC(=O)COCCC(=O)N 34a_100000725409_100000731001 [1,0,0,0,1,0|2,0,0]=4 1516 B10R0.55 CCC(=O)COCCC(=O)N 7a_100000757172_100000747405 [1,0,0,0,1,0|2,0,0]=4 1517 B10R0.55 CCC(=O)CSCCC(=O)C 62a_100000053229_100000747405 [1,0,0,0,1,0|2,0,0]=4 1518 B10R0.55 CCC(=O)CSCCC(=O)C 62a_100000747405_100000053229 [1,0,0,0,1,0|2,0,0]=4 1519 B10R0.55 CCC(=O)CSCCC(=O)N 62a_100000744528_100000747405 [1,0,0,0,1,0|2,0,0]=4 1520 B10R0.55 CCC(=O)CSCCC(=O)N 62a_100000747405_100000744528 [1,0,0,0,1,0|2,0,0]=4 1521 B10R0.55 CCC(=O)NCCCC(=O)N 240690a_100000739312_100000210414 [1,0,0,0,1,0|2,0,0]=4 1522 B10R0.55 CCC(=O)NCCCC(=O)N 527a_100000739312_100000210414 [1,0,0,0,1,0|2,0,0]=4 1523 B10R0.55 CNC(=O)CCNCC(=O)O 269956a_100016091260_100000737683 [1,0,0,0,1,0|2,0,0]=4 1524 B10R0.55 COC(=O)CCCCC(=O)C 1458a_100000070787_100000204269 [1,0,0,0,1,0|2,0,0]=4 1525 B10R0.55 COC(=O)CCCCC(=O)C 1458a_100000695723_200000210301 [1,0,0,0,1,0|2,0,0]=4 1526 B10R0.55 COC(=O)CCCCC(=O)[13CH3] 1458a_100000695723_200025704644 [1,0,0,0,1,0|2,0,0]=4 1527 B10R0.55 COC(=O)CCNCC(=O)O 269956a_100016091260_100000204255 [1,0,0,0,1,0|2,0,0]=4 1528 B10R0.98 CC(=O)CCCC(=O)C(C)C 1458a_100000210198_100011215641 [0,0,0,0,2,0|2,0,0]=4 1529 B10R0.98 CC(=O)CCCC(=O)C(C)F 1458a_100000062450_100011215641 [0,0,0,0,2,0|2,0,0]=4 1530 B10R0.98 CC(=O)CCCC(=O)[C@@H](C)O 1458a_100000717761_100011215641 [0,0,0,0,2,0|2,0,0]=4 1531 B10R0.98 CC(=O)CCCC(=O)[C@H](C)O 1458a_217856618621_100011215641 [0,0,0,0,2,0|2,0,0]=4 1532 B10R0.98 CC(C)C(=O)CCCC(=O)N 1458a_100000210198_100102525003 [0,0,0,0,2,0|2,0,0]=4 1533 B10R0.98 CC(C)C(=O)CNCC(=O)O 269956a_100016091260_100000753385 [0,0,0,0,2,0|2,0,0]=4 1534 B10R0.98 CC(F)C(=O)CCCC(=O)N 1458a_100000062450_100102525003 [0,0,0,0,2,0|2,0,0]=4 1535 B10R0.98 C[C@@H](O)C(=O)CCCC(=O)N 1458a_100000717761_100102525003 [0,0,0,0,2,0|2,0,0]=4 1536 B10R0.98 C[C@H](O)C(=O)CCCC(=O)N 1458a_217856618621_100102525003 [0,0,0,0,2,0|2,0,0]=4 1537 B12R0.268 CC(=O)CCCCOCC[C@@H](C)N 34a_100000706166_100009817362 [1,0,0,0,0,1|1,0,1]=4 1538 B12R0.268 CC(C)CCCCCNCC(=O)O 269956a_100016091260_100000210682 [1,0,0,0,0,1|1,0,1]=4 1539 B12R0.268 C[C@@H](N)COCCCCCC(=O)N 34a_100000737577_100009817443 [1,0,0,0,0,1|1,0,1]=4 1540 B12R0.4 C=CCCCCCC(=O)CC(C)C 1458a_100000210554_100000700193 [1,0,0,0,0,1|2,0,0]=4 1541 B12R0.4 C=CCCCCCC(=O)CC(C)C 1458a_100011934241_100000210624 [1,0,0,0,0,1|2,0,0]=4 1542 B12R0.4 C=CCCCCCC(=O)CC(C)O 1458a_100011934241_100011218427 [1,0,0,0,0,1|2,0,0]=4 1543 B12R0.4 C=CCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000700193 [1,0,0,0,0,1|2,0,0]=4 1544 B12R0.4 C=CCCCCCC(=O)NC(C)C 11a_100138425928_100011934241 [1,0,0,0,0,1|2,0,0]=4 1545 B12R0.4 C=CCCCCCC(=O)NC(C)C 1626a_100138425928_100011934241 [1,0,0,0,0,1|2,0,0]=4 1546 B12R0.4 C=CCCCCCC(=O)NC(C)C 240690a_100138425928_100011934241 [1,0,0,0,0,1|2,0,0]=4 1547 B12R0.4 C=CCCCCCC(=O)NC(C)C 527a_100138425928_100011934241 [1,0,0,0,0,1|2,0,0]=4 1548 B12R0.4 CC(C)CC(=O)CCCCCCO 1458a_100000210554_100000766143 [1,0,0,0,0,1|1,0,1]=4 1549 B12R0.4 CC(C)CC(=O)CCCCCCO 1458a_100011996774_100000210624 [1,0,0,0,0,1|1,0,1]=4 1550 B12R0.4 CC(C)NC(=O)CCCCCCO 240690a_100138425928_100011996774 [1,0,0,0,0,1|1,0,1]=4 1551 B12R0.4 CC(C)NC(=O)CNCCCC=O 2230a_100000168517_200011292268 [1,0,0,0,0,1|2,0,0]=4 1552 B12R0.4 CC(C)NC(=O)CSCCCC=O 62a_100000183996_200011292268 [1,0,0,0,0,1|2,0,0]=4 1553 B12R0.4 CC(C)NC(=O)CSCCCC=O 62a_200011292268_100000183996 [1,0,0,0,0,1|2,0,0]=4 1554 B12R0.4 CC(C)OC(=O)CSCCCC=O 62a_100011215430_200011292268 [1,0,0,0,0,1|2,0,0]=4 1555 B12R0.4 CC(C)OC(=O)CSCCCC=O 62a_200011292268_100011215430 [1,0,0,0,0,1|2,0,0]=4 1556 B12R0.4 CC(O)CC(=O)CCCCCCO 1458a_100011996774_100011218427 [1,0,0,0,0,1|1,0,1]=4 1557 B12R0.4 C[C@@H](O)CC(=O)CCCCCCO 1458a_100011933948_100000766143 [1,0,0,0,0,1|1,0,1]=4 1558 B14R0.427 CC(=O)CCCCSCC(=O)NC(C)C 62a_100000183996_100000735457 [0,0,0,0,0,2|2,0,0]=4 1559 B14R0.427 CC(=O)CCCCSCC(=O)NC(C)C 62a_100000735457_100000183996 [0,0,0,0,0,2|2,0,0]=4 1560 B14R0.427 CC(=O)CCCCSCC(=O)OC(C)C 62a_100000735457_100011215430 [0,0,0,0,0,2|2,0,0]=4 1561 B14R0.427 CC(=O)CCCCSCC(=O)OC(C)C 62a_100011215430_100000735457 [0,0,0,0,0,2|2,0,0]=4 1562 B14R0.427 CC(=O)CCCOCCC(=O)NC(C)C 7a_100000759063_100000737564 [0,0,0,0,0,2|2,0,0]=4 1563 B14R0.427 CC(=O)CCCOCCC(=O)OC(C)C 7a_100000759063_100000760027 [0,0,0,0,0,2|2,0,0]=4 1564 B14R0.427 CC(=O)CCCSCCC(=O)NC(C)C 62a_100000737564_100011215641 [0,0,0,0,0,2|2,0,0]=4 1565 B14R0.427 CC(=O)CCCSCCC(=O)NC(C)C 62a_100011215641_100000737564 [0,0,0,0,0,2|2,0,0]=4 1566 B14R0.427 CC(=O)CCCSCCC(=O)OC(C)C 62a_100000760027_100011215641 [0,0,0,0,0,2|2,0,0]=4 1567 B14R0.427 CC(=O)CCCSCCC(=O)OC(C)C 62a_100011215641_100000760027 [0,0,0,0,0,2|2,0,0]=4 1568 B14R0.427 CC(=O)NCCCCCC(=O)CC(C)C 1458a_100000183861_100000210624 [0,0,0,0,0,2|2,0,0]=4 1569 B14R0.427 CC(=O)NCCCCCC(=O)CC(C)O 1458a_100000183861_100011218427 [0,0,0,0,0,2|2,0,0]=4 1570 B14R0.427 CC(=O)NCCCCCC(=O)NC(C)C 11a_100138425928_100000183861 [0,0,0,0,0,2|2,0,0]=4 1571 B14R0.427 CC(=O)NCCCCCC(=O)NC(C)C 1626a_100138425928_100000183861 [0,0,0,0,0,2|2,0,0]=4 1572 B14R0.427 CC(=O)NCCCCCC(=O)NC(C)C 240690a_100138425928_100000183861 [0,0,0,0,0,2|2,0,0]=4 1573 B14R0.427 CC(=O)OCCCCCC(=O)CC(C)C 1458a_100000210554_100000033007 [0,0,0,0,0,2|2,0,0]=4 1574 B14R0.427 CC(=O)OCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000033007 [0,0,0,0,0,2|2,0,0]=4 1575 B14R0.427 CC(C)NC(=O)CCSCCCC(=O)N 62a_100000737564_100102525003 [0,0,0,0,0,2|2,0,0]=4 1576 B14R0.427 CC(C)NC(=O)CCSCCCC(=O)N 62a_100102525003_100000737564 [0,0,0,0,0,2|2,0,0]=4 1577 B14R0.427 CC(C)NC(=O)CNCCCCC(=O)N 34a_100000696515_100000183996 [0,0,0,0,0,2|2,0,0]=4 1578 B14R0.427 CC(C)NC(=O)CNCCOCC(=O)O 269956a_100000700818_100000183996 [0,0,0,0,0,2|2,0,0]=4 1579 B14R0.427 CC(C)NC(=O)COCCCCC(=O)N 34a_100012022536_100000183996 [0,0,0,0,0,2|2,0,0]=4 1580 B14R0.427 CC(C)NC(=O)COCCCCC(=O)N 7a_100012022536_100000183996 [0,0,0,0,0,2|2,0,0]=4 1581 B14R0.427 CC(C)OC(=O)CCSCCCC(=O)N 62a_100000760027_100102525003 [0,0,0,0,0,2|2,0,0]=4 1582 B14R0.427 CC(C)OC(=O)CCSCCCC(=O)N 62a_100102525003_100000760027 [0,0,0,0,0,2|2,0,0]=4 1583 B14R0.427 CC(C)OC(=O)CNCCCCC(=O)N 34a_100000696515_100011215430 [0,0,0,0,0,2|2,0,0]=4 1584 B14R0.427 CC(C)OC(=O)CNCCOCC(=O)O 269956a_100000700818_100011215430 [0,0,0,0,0,2|2,0,0]=4 1585 B14R0.427 CC(C)OC(=O)COCCCCC(=O)N 34a_100012022536_100011215430 [0,0,0,0,0,2|2,0,0]=4 1586 B14R0.427 CC(C)OC(=O)COCCCCC(=O)N 7a_100012022536_100011215430 [0,0,0,0,0,2|2,0,0]=4 1587 B14R0.551 CC(C)C=CC(=O)CCCCCC(=O)N 1458a_100016268746_100009817443 [0,0,0,0,0,2|2,0,0]=4 1588 B14R0.551 CC(C)CCC(=O)CCCCCC(=O)N 1458a_100000181311_100009817443 [0,0,0,0,0,2|2,0,0]=4 1589 B14R0.551 CC(C)CNC(=O)CCCNCC(=O)O 269956a_100016091260_100011194448 [0,0,0,0,0,2|2,0,0]=4 1590 B14R0.551 CC(C)OCC(=O)CCCCCC(=O)N 1458a_100000745533_100009817443 [0,0,0,0,0,2|2,0,0]=4 1591 B14R0.551 CC(C)SCC(=O)CCCCCC(=O)N 1458a_100000241585_100009817443 [0,0,0,0,0,2|2,0,0]=4 1592 B14R0.549 CC(=O)CCCCSCOC(=O)C(C)C 62a_100000139345_100000735457 [0,0,0,0,0,2|2,0,0]=4 1593 B14R0.549 CC(=O)CCCCSCOC(=O)C(C)C 62a_100000735457_100000139345 [0,0,0,0,0,2|2,0,0]=4 1594 B14R0.549 CC(=O)CCCNCCNC(=O)C(C)C 34a_100000752568_100000685027 [0,0,0,0,0,2|2,0,0]=4 1595 B14R0.549 CC(=O)NCCCCCNC(=O)C(C)C 1626a_200012022750_100000210198 [0,0,0,0,0,2|2,0,0]=4 1596 B14R0.549 CC(=O)NCCCCCNC(=O)C(C)C 240690a_200012022750_100000210198 [0,0,0,0,0,2|2,0,0]=4 1597 B14R0.549 CC(=O)NCCCCCNC(=O)C(C)C 527a_200012022750_100000210198 [0,0,0,0,0,2|2,0,0]=4 1598 B14R0.549 CC(=O)NCCCCCNC(=O)C(C)F 1626a_200012022750_100000062450 [0,0,0,0,0,2|2,0,0]=4 1599 B14R0.549 CC(=O)NCCCCCNC(=O)C(C)F 240690a_200012022750_100000062450 [0,0,0,0,0,2|2,0,0]=4 1600 B14R0.549 CC(=O)NCCCCCNC(=O)C(C)F 527a_200012022750_100000062450 [0,0,0,0,0,2|2,0,0]=4 1601 B14R0.549 CC(=O)NCCCCCNC(=O)[C@@H](C)O 240690a_200012022750_100000717761 [0,0,0,0,0,2|2,0,0]=4 1602 B14R0.549 CC(=O)NCCCCCNC(=O)[C@H](C)O 1626a_200012022750_217856618621 [0,0,0,0,0,2|2,0,0]=4 1603 B14R0.549 CC(=O)NCCCCCNC(=O)[C@H](C)O 240690a_200012022750_217856618621 [0,0,0,0,0,2|2,0,0]=4 1604 B14R0.549 CC(=O)NCCCCNCC(=O)C(C)C 2230a_200011368371_100000753385 [0,0,0,0,0,2|2,0,0]=4 1605 B14R0.549 CC(=O)NCCCCNCC(=O)C(C)C 34a_200011368371_100000753385 [0,0,0,0,0,2|2,0,0]=4 1606 B14R0.549 CC(=O)OCCCCOCC(=O)C(C)C 34a_100000073216_100000753385 [0,0,0,0,0,2|2,0,0]=4 1607 B14R0.549 CC(=O)OCCCCOCC(=O)C(C)C 7a_100000073216_100000753385 [0,0,0,0,0,2|2,0,0]=4 1608 B14R0.549 CC(=O)OCCCCSCC(=O)C(C)C 62a_100000033659_100000753385 [0,0,0,0,0,2|2,0,0]=4 1609 B14R0.549 CC(=O)OCCCCSCC(=O)C(C)C 62a_100000753385_100000033659 [0,0,0,0,0,2|2,0,0]=4 1610 B14R0.549 CC(=O)SCCCCSCC(=O)C(C)C 62a_100000753385_200010402107 [0,0,0,0,0,2|2,0,0]=4 1611 B14R0.549 CC(=O)SCCCCSCC(=O)C(C)C 62a_200010402107_100000753385 [0,0,0,0,0,2|2,0,0]=4 1612 B14R0.549 CC(C)C(=O)COCCCCCC(=O)N 34a_100000123541_100000753385 [0,0,0,0,0,2|2,0,0]=4 1613 B14R0.549 CC(C)C(=O)COCCCCCC(=O)N 7a_100000123541_100000753385 [0,0,0,0,0,2|2,0,0]=4 1614 B14R0.549 CC(C)C(=O)COCCCCCC(=O)[O-] 7a_100102619762_100000753385 [0,0,0,0,0,2|1,0,1]=4 1615 B14R0.549 CC(C)C(=O)CSCCCCCC(=O)N 62a_100000753385_100009817443 [0,0,0,0,0,2|2,0,0]=4 1616 B14R0.549 CC(C)C(=O)CSCCCCCC(=O)N 62a_100009817443_100000753385 [0,0,0,0,0,2|2,0,0]=4 1617 B14R0.549 CC(C)C(=O)NCCNCCCC(=O)N 34a_100000752568_100102525003 [0,0,0,0,0,2|2,0,0]=4 1618 B14R0.549 CN(C)C(=O)CCCCNOCC(=O)O 269956a_100000106656_100000752486 [0,0,0,0,0,2|2,0,0]=4 1619 B14R0.549 CN(C)C(=O)CCNCCOCC(=O)O 269956a_100000700818_100000737620 [0,0,0,0,0,2|2,0,0]=4