0 B10R0.97 C=C(Br)CCOCCC(=O)N 34a_100009813270_100000731001 [0,0,0,0,0,0|4,0,0]=4 1 B10R0.97 C=C(C)CCNOCC(=O)O 269956a_100000106656_100000730704 [0,0,0,0,0,0|4,0,0]=4 2 B10R0.97 C=C(C)CCOCCC(=O)C 34a_100000759926_100000730704 [0,0,0,0,0,0|4,0,0]=4 3 B10R0.97 C=C(C)CCOCCC(=O)C 7a_100000759926_100000730704 [0,0,0,0,0,0|4,0,0]=4 4 B10R0.97 C=C(C)CCOCCC(=O)N 34a_100000757172_100000730704 [0,0,0,0,0,0|4,0,0]=4 5 B10R0.97 C=C(C)CCOCCC(=O)N 34a_100000764851_100000731001 [0,0,0,0,0,0|4,0,0]=4 6 B10R0.97 C=C(C)CCOCCC(=O)N 7a_100000757172_100000730704 [0,0,0,0,0,0|4,0,0]=4 7 B10R0.97 C=C(C)CCSCCC(=O)C 62a_100000053229_100000730704 [0,0,0,0,0,0|4,0,0]=4 8 B10R0.97 C=C(C)CCSCCC(=O)C 62a_100000730704_100000053229 [0,0,0,0,0,0|4,0,0]=4 9 B10R0.97 C=C(C)CCSCCC(=O)N 62a_100000730704_100000744528 [0,0,0,0,0,0|4,0,0]=4 10 B10R0.97 C=C(C)CCSCCC(=O)N 62a_100000744528_100000730704 [0,0,0,0,0,0|4,0,0]=4 11 B10R0.97 C=C(C)CNCCCC(=O)N 34a_100000739312_100000748629 [0,0,0,0,0,0|4,0,0]=4 12 B10R0.97 C=C(C)COCCCC(=O)C 34a_100000210245_100000685027 [0,0,0,0,0,0|4,0,0]=4 13 B10R0.97 C=C(C)COCCCC(=O)C 34a_100000759063_100000748629 [0,0,0,0,0,0|4,0,0]=4 14 B10R0.97 C=C(C)COCCCC(=O)C 7a_100000759063_100000748629 [0,0,0,0,0,0|4,0,0]=4 15 B10R0.97 C=C(C)COCCCC(=O)N 34a_100000210245_100102525003 [0,0,0,0,0,0|4,0,0]=4 16 B10R0.97 C=C(C)CSCCCC(=O)C 62a_100000748629_100011215641 [0,0,0,0,0,0|4,0,0]=4 17 B10R0.97 C=C(C)CSCCCC(=O)C 62a_100011215641_100000211660 [0,0,0,0,0,0|4,0,0]=4 18 B10R0.97 C=C(C)CSCCCC(=O)N 62a_100000748629_100102525003 [0,0,0,0,0,0|4,0,0]=4 19 B10R0.97 C=C(C)CSCCCC(=O)N 62a_100102525003_100000211660 [0,0,0,0,0,0|4,0,0]=4 20 B10R0.97 C=C(F)CNCCCC(=O)N 34a_100000739312_100009893438 [0,0,0,0,0,0|4,0,0]=4 21 B10R0.97 C=C(F)COCCCC(=O)C 34a_100000759063_100009893438 [0,0,0,0,0,0|4,0,0]=4 22 B10R0.97 C=C(F)COCCCC(=O)C 34a_200010262243_100000685027 [0,0,0,0,0,0|4,0,0]=4 23 B10R0.97 C=C(F)COCCCC(=O)C 7a_100000759063_100000042424 [0,0,0,0,0,0|4,0,0]=4 24 B10R0.97 C=C(F)COCCCC(=O)N 34a_200010262243_100102525003 [0,0,0,0,0,0|4,0,0]=4 25 B10R0.97 C=C(F)CSCCCC(=O)C 62a_100000042424_100011215641 [0,0,0,0,0,0|4,0,0]=4 26 B10R0.97 C=C(F)CSCCCC(=O)C 62a_100011215641_100000042424 [0,0,0,0,0,0|4,0,0]=4 27 B10R0.97 C=C(F)CSCCCC(=O)N 62a_100000042424_100102525003 [0,0,0,0,0,0|4,0,0]=4 28 B10R0.97 C=C(F)CSCCCC(=O)N 62a_100102525003_100000042424 [0,0,0,0,0,0|4,0,0]=4 29 B10R0.97 CC(=CCCNCC(=O)O)C 269956a_100016091260_100011217483 [0,0,0,0,0,0|3,0,1]=4 30 B10R0.97 CC(=O)CCCCCB(O)O 1458a_100000070787_200009817188 [0,0,0,0,0,0|2,0,1]=3 31 B10R0.97 CC(=O)CCCCCC(=O)N 1458a_100000070787_100009817443 [0,0,0,0,0,0|2,0,0]=2 32 B10R0.97 CC(=O)CCCCCC(C)C 1458a_100000070787_100000210682 [0,0,0,0,0,0|3,0,1]=4 33 B10R0.97 CC(=O)CCCCCC(C)C 1458a_100000766313_200000210301 [0,0,0,0,0,0|3,0,1]=4 34 B10R0.97 CC(=O)CCCCC[N+](=O)[O-] 1458a_100000043470_200000210301 [0,0,0,0,0,0|2,0,1]=3 35 B10R0.97 CC(=O)CCCCOC(=O)C 1458a_100000070787_100000033659 [0,0,0,0,0,0|3,0,0]=3 36 B10R0.97 CC(=O)CCCCO[N+](=O)[O-] 1458a_100000070787_100015694321 [0,0,0,0,0,0|3,0,1]=4 37 B10R0.97 CC(=O)CCCCSC(=O)C 1458a_100000070787_200010402107 [0,0,0,0,0,0|3,0,0]=3 38 B10R0.97 CC(=O)CCCNCC(=O)O 269956a_100016091260_100011215641 [0,0,0,0,0,0|2,0,0]=2 39 B10R0.97 CC(=O)CCCNCC(C)O 34a_100000210904_100000685027 [0,0,0,0,0,0|3,0,1]=4 40 B10R0.97 CC(=O)CCCOCC(=O)C 34a_100000211253_100000685027 [0,0,0,0,0,0|3,0,0]=3 41 B10R0.97 CC(=O)CCCOCC(=O)N 34a_100000759063_100000187820 [0,0,0,0,0,0|3,0,0]=3 42 B10R0.97 CC(=O)CCCOCC(=O)N 7a_100000759063_100000187820 [0,0,0,0,0,0|3,0,0]=3 43 B10R0.97 CC(=O)CCCOCC(=O)[O-] 34a_100000759063_100020667443 [0,0,0,0,0,0|2,0,1]=3 44 B10R0.97 CC(=O)CCCOCC(C)O 34a_100000759063_100011218427 [0,0,0,0,0,0|3,0,1]=4 45 B10R0.97 CC(=O)CCCOCC(C)O 7a_100000759063_100011218427 [0,0,0,0,0,0|3,0,1]=4 46 B10R0.97 CC(=O)CCCOC[C@@H](C)O 34a_100000759063_100009817552 [0,0,0,0,0,0|3,0,1]=4 47 B10R0.97 CC(=O)CCCOC[C@@H](C)O 7a_100000759063_100009817552 [0,0,0,0,0,0|3,0,1]=4 48 B10R0.97 CC(=O)CCCOC[N+](=O)[O-] 34a_100000759063_100000761209 [0,0,0,0,0,0|3,0,1]=4 49 B10R0.97 CC(=O)CCCSCC(=O)N 62a_100000747473_100011215641 [0,0,0,0,0,0|3,0,0]=3 50 B10R0.97 CC(=O)CCCSCC(=O)N 62a_100011215641_100000747473 [0,0,0,0,0,0|3,0,0]=3 51 B10R0.97 CC(=O)CCCSCC(=O)[O-] 62a_100011215641_100020667443 [0,0,0,0,0,0|2,0,1]=3 52 B10R0.97 CC(=O)CCCSCC(=O)[O-] 62a_100020667443_100011215641 [0,0,0,0,0,0|2,0,1]=3 53 B10R0.97 CC(=O)CCCSCC(C)O 62a_100011215641_100011218427 [0,0,0,0,0,0|3,0,1]=4 54 B10R0.97 CC(=O)CCCSCC(C)O 62a_100011218427_100011215641 [0,0,0,0,0,0|3,0,1]=4 55 B10R0.97 CC(=O)CCCSC[C@@H](C)O 62a_100009817552_100011215641 [0,0,0,0,0,0|3,0,1]=4 56 B10R0.97 CC(=O)CCCSC[C@@H](C)O 62a_100011215641_100009817552 [0,0,0,0,0,0|3,0,1]=4 57 B10R0.97 CC(=O)CCCSC[N+](=O)[O-] 62a_100011215641_100000761209 [0,0,0,0,0,0|3,0,1]=4 58 B10R0.97 CC(=O)CCNOCC(=O)O 269956a_100000106656_100000053229 [0,0,0,0,0,0|3,0,0]=3 59 B10R0.97 CC(=O)CCOCCC(=O)C 7a_100000759926_100000053229 [0,0,0,0,0,0|3,0,0]=3 60 B10R0.97 CC(=O)CCOCCC(=O)N 34a_100000759926_100000731001 [0,0,0,0,0,0|3,0,0]=3 61 B10R0.97 CC(=O)CCOCCC(=O)N 7a_100000757172_100000053229 [0,0,0,0,0,0|3,0,0]=3 62 B10R0.97 CC(=O)CCOCCC(=O)N 7a_100000759926_100000744528 [0,0,0,0,0,0|3,0,0]=3 63 B10R0.97 CC(=O)CCOCCC(C)O 34a_100000759926_100012276601 [0,0,0,0,0,0|3,0,1]=4 64 B10R0.97 CC(=O)CCOCCC(C)O 7a_100000759926_100012276601 [0,0,0,0,0,0|3,0,1]=4 65 B10R0.97 CC(=O)CCOCOC(=O)C 34a_100000759926_100009813279 [0,0,0,0,0,0|4,0,0]=4 66 B10R0.97 CC(=O)CCSCCC(=O)C 62a_100000053229_100000053229 [0,0,0,0,0,0|3,0,0]=3 67 B10R0.97 CC(=O)CCSCCC(=O)N 62a_100000053229_100000744528 [0,0,0,0,0,0|3,0,0]=3 68 B10R0.97 CC(=O)CCSCCC(=O)N 62a_100000744528_100000053229 [0,0,0,0,0,0|3,0,0]=3 69 B10R0.97 CC(=O)CCSCCC(C)O 62a_100000053229_100012276601 [0,0,0,0,0,0|3,0,1]=4 70 B10R0.97 CC(=O)CCSCCC(C)O 62a_100012276601_100000053229 [0,0,0,0,0,0|3,0,1]=4 71 B10R0.97 CC(=O)CCSCOC(=O)C 62a_100000053229_100000076356 [0,0,0,0,0,0|4,0,0]=4 72 B10R0.97 CC(=O)CCSCOC(=O)C 62a_100000076356_100000053229 [0,0,0,0,0,0|4,0,0]=4 73 B10R0.97 CC(=O)COCCCC(=O)N 34a_100000211253_100102525003 [0,0,0,0,0,0|3,0,0]=3 74 B10R0.97 CC(=O)COCCCC(C)O 34a_100000211253_200000718107 [0,0,0,0,0,0|3,0,1]=4 75 B10R0.97 CC(=O)COCCOC(=O)C 34a_100000211253_100009814007 [0,0,0,0,0,0|4,0,0]=4 76 B10R0.97 CC(=O)COCCOC(=O)N 34a_100000211253_200011214921 [0,0,0,0,0,0|4,0,0]=4 77 B10R0.97 CC(=O)NCCCCC(=O)N 11a_100000696515_100015343762 [0,0,0,0,0,0|3,0,0]=3 78 B10R0.97 CC(=O)NCCCCC(=O)N 1626a_100000696515_100015343762 [0,0,0,0,0,0|3,0,0]=3 79 B10R0.97 CC(=O)NCCCCC(=O)N 240690a_100000696515_100015343762 [0,0,0,0,0,0|3,0,0]=3 80 B10R0.97 CC(=O)NCCCCC(=O)N 527a_100000696515_100103153847 [0,0,0,0,0,0|3,0,0]=3 81 B10R0.97 CC(=O)NCCCNC(=O)C 11a_100000736810_100015343762 [0,0,0,0,0,0|4,0,0]=4 82 B10R0.97 CC(=O)NCCCNC(=O)C 240690a_100000736810_100015343762 [0,0,0,0,0,0|4,0,0]=4 83 B10R0.97 CC(=O)NCCCNC(=O)C 527a_100000736810_100103153847 [0,0,0,0,0,0|4,0,0]=4 84 B10R0.97 CC(=O)NCCNCC(=O)N 2230a_100000209853_100000747473 [0,0,0,0,0,0|4,0,0]=4 85 B10R0.97 CC(=O)NCCNCC(=O)N 2230a_100000711301_100000189650 [0,0,0,0,0,0|4,0,0]=4 86 B10R0.97 CC(=O)NCCNCC(=O)O 269956a_100016091260_100000189650 [0,0,0,0,0,0|3,0,0]=3 87 B10R0.97 CC(=O)NCCOCC(=O)N 34a_100000158858_100000187820 [0,0,0,0,0,0|4,0,0]=4 88 B10R0.97 CC(=O)NCCOCC(=O)[O-] 34a_100000158858_100020667443 [0,0,0,0,0,0|3,0,1]=4 89 B10R0.97 CC(=O)NCCSCC(=O)N 62a_100000189650_100000747473 [0,0,0,0,0,0|4,0,0]=4 90 B10R0.97 CC(=O)NCCSCC(=O)N 62a_100000747473_100000189650 [0,0,0,0,0,0|4,0,0]=4 91 B10R0.97 CC(=O)NCCSCC(=O)[O-] 62a_100000189650_100020667443 [0,0,0,0,0,0|3,0,1]=4 92 B10R0.97 CC(=O)NCCSCC(=O)[O-] 62a_100020667443_100000189650 [0,0,0,0,0,0|3,0,1]=4 93 B10R0.97 CC(=O)OCCNCC(=O)O 269956a_100016091260_100009814007 [0,0,0,0,0,0|3,0,0]=3 94 B10R0.97 CC(=O)OCCSCC(=O)N 62a_100000747473_100009814007 [0,0,0,0,0,0|4,0,0]=4 95 B10R0.97 CC(=O)OCCSCC(=O)N 62a_100009814007_100000747473 [0,0,0,0,0,0|4,0,0]=4 96 B10R0.97 CC(=O)OCCSCC(=O)[O-] 62a_100009814007_100020667443 [0,0,0,0,0,0|3,0,1]=4 97 B10R0.97 CC(=O)OCCSCC(=O)[O-] 62a_100020667443_100009814007 [0,0,0,0,0,0|3,0,1]=4 98 B10R0.97 CC(=O)OCNOCC(=O)O 269956a_100000106656_100000076356 [0,0,0,0,0,0|4,0,0]=4 99 B10R0.97 CC(=O)OCOCCC(=O)N 34a_100000757172_100009813279 [0,0,0,0,0,0|4,0,0]=4 100 B10R0.97 CC(=O)OCSCCC(=O)N 62a_100000076356_100000744528 [0,0,0,0,0,0|4,0,0]=4 101 B10R0.97 CC(=O)OCSCCC(=O)N 62a_100000744528_100000076356 [0,0,0,0,0,0|4,0,0]=4 102 B10R0.97 CC(C)CCCCCC(=O)[13CH3] 1458a_100000766313_200025704644 [0,0,0,0,0,0|3,0,1]=4 103 B10R0.97 CC(C)CCCNCC(=O)O 269956a_100016091260_100011214892 [0,0,0,0,0,0|3,0,1]=4 104 B10R0.97 CC(O)CCCNCC(=O)N 2230a_100000711301_200000718107 [0,0,0,0,0,0|3,0,1]=4 105 B10R0.97 CC(O)CCCNCC(=O)O 269956a_100016091260_200000718107 [0,0,0,0,0,0|2,0,1]=3 106 B10R0.97 CC(O)CCCSCC(=O)N 62a_100000747473_200000718107 [0,0,0,0,0,0|3,0,1]=4 107 B10R0.97 CC(O)CCCSCC(=O)N 62a_200000718107_100000747473 [0,0,0,0,0,0|3,0,1]=4 108 B10R0.97 CC(O)CCCSCC(=O)[O-] 62a_100020667443_200000718107 [0,0,0,0,0,0|2,0,2]=4 109 B10R0.97 CC(O)CCCSCC(=O)[O-] 62a_200000718107_100020667443 [0,0,0,0,0,0|2,0,2]=4 110 B10R0.97 CC(O)CCNCCC(=O)N 2230a_200000755665_100000744528 [0,0,0,0,0,0|3,0,1]=4 111 B10R0.97 CC(O)CCNOCC(=O)O 269956a_100000106656_100012276601 [0,0,0,0,0,0|3,0,1]=4 112 B10R0.97 CC(O)CCOCCC(=O)N 34a_100000757172_100012276601 [0,0,0,0,0,0|3,0,1]=4 113 B10R0.97 CC(O)CCOCCC(=O)N 7a_100000757172_100012276601 [0,0,0,0,0,0|3,0,1]=4 114 B10R0.97 CC(O)CCSCCC(=O)N 62a_100000744528_100012276601 [0,0,0,0,0,0|3,0,1]=4 115 B10R0.97 CC(O)CCSCCC(=O)N 62a_100012276601_100000744528 [0,0,0,0,0,0|3,0,1]=4 116 B10R0.97 CC(O)CNCCCC(=O)N 34a_100000210904_100102525003 [0,0,0,0,0,0|3,0,1]=4 117 B10R0.97 CC(O)CNCCCC(=O)N 34a_100000739312_100011218427 [0,0,0,0,0,0|3,0,1]=4 118 B10R0.97 CC(O)CSCCCC(=O)N 62a_100011218427_100102525003 [0,0,0,0,0,0|3,0,1]=4 119 B10R0.97 CC(O)CSCCCC(=O)N 62a_100102525003_100011218427 [0,0,0,0,0,0|3,0,1]=4 120 B10R0.97 CN(C)CCCCCC(=O)N 2230a_100102631434_100009817443 [0,0,0,0,0,0|4,0,0]=4 121 B10R0.97 CN(C)CCCCCC(=O)N 269982a_100102631434_100009817443 [0,0,0,0,0,0|4,0,0]=4 122 B10R0.97 CN(C)CCCNCC(=O)O 269956a_100016091260_100000757444 [0,0,0,0,0,0|4,0,0]=4 123 B10R0.97 CS(=O)CCCNCC(=O)N 2230a_200000753449_100000747473 [0,0,0,0,0,0|4,0,0]=4 124 B10R0.97 C[C@@H](O)CNCCCC(=O)N 34a_100000739312_100009817552 [0,0,0,0,0,0|3,0,1]=4 125 B10R0.97 C[C@@H](O)CSCCCC(=O)N 62a_100009817552_100102525003 [0,0,0,0,0,0|3,0,1]=4 126 B10R0.97 C[C@@H](O)CSCCCC(=O)N 62a_100102525003_100009817552 [0,0,0,0,0,0|3,0,1]=4 127 B10R0.97 NC(=O)CCCNCC(=O)N 34a_100000739312_100000187820 [0,0,0,0,0,0|3,0,0]=3 128 B10R0.97 NC(=O)CCCNCC(=O)O 269956a_100016091260_100102525003 [0,0,0,0,0,0|2,0,0]=2 129 B10R0.97 NC(=O)CCCNCC(=O)[O-] 34a_100000739312_100020667443 [0,0,0,0,0,0|2,0,1]=3 130 B10R0.97 NC(=O)CCCNC[N+](=O)[O-] 34a_100000739312_100000761209 [0,0,0,0,0,0|3,0,1]=4 131 B10R0.97 NC(=O)CCCSCC(=O)N 62a_100000747473_100102525003 [0,0,0,0,0,0|3,0,0]=3 132 B10R0.97 NC(=O)CCCSCC(=O)N 62a_100102525003_100000747473 [0,0,0,0,0,0|3,0,0]=3 133 B10R0.97 NC(=O)CCCSCC(=O)[O-] 62a_100020667443_100102525003 [0,0,0,0,0,0|2,0,1]=3 134 B10R0.97 NC(=O)CCCSCC(=O)[O-] 62a_100102525003_100020667443 [0,0,0,0,0,0|2,0,1]=3 135 B10R0.97 NC(=O)CCCSC[N+](=O)[O-] 62a_100102525003_100000761209 [0,0,0,0,0,0|3,0,1]=4 136 B10R0.97 NC(=O)CCNOCC(=O)O 269956a_100000106656_100000744528 [0,0,0,0,0,0|3,0,0]=3 137 B10R0.97 NC(=O)CCOCCC(=O)N 34a_100000757172_100000731001 [0,0,0,0,0,0|3,0,0]=3 138 B10R0.97 NC(=O)CCOCCC(=O)N 7a_100000757172_100000744528 [0,0,0,0,0,0|3,0,0]=3 139 B10R0.97 NC(=O)CCSCCC(=O)N 62a_100000744528_100000744528 [0,0,0,0,0,0|3,0,0]=3 140 B10R0.97 NC(=O)CNCCNC(=O)N 2230a_100000711301_200000034859 [0,0,0,0,0,0|4,0,0]=4 141 B10R0.97 NC(=O)CNCCNC(=O)N 34a_100020590234_100000187820 [0,0,0,0,0,0|4,0,0]=4 142 B10R0.97 NC(=O)COCCC[N+](=O)[O-] 34a_200000037920_100000187820 [0,0,0,0,0,0|3,0,1]=4 143 B10R0.97 NC(=O)COCCNC(=O)N 34a_100000181757_100000187820 [0,0,0,0,0,0|4,0,0]=4 144 B10R0.97 NC(=O)COCCOC(=O)N 7a_100000766696_100000187820 [0,0,0,0,0,0|4,0,0]=4 145 B10R0.97 NC(=O)CSCCNC(=O)N 62a_100000747473_200000034859 [0,0,0,0,0,0|4,0,0]=4 146 B10R0.97 NC(=O)CSCCNC(=O)N 62a_200000034859_100000747473 [0,0,0,0,0,0|4,0,0]=4 147 B10R0.97 NC(=O)CSCCOC(=O)N 62a_100000747473_200011214921 [0,0,0,0,0,0|4,0,0]=4 148 B10R0.97 NC(=O)CSCCOC(=O)N 62a_200011214921_100000747473 [0,0,0,0,0,0|4,0,0]=4 149 B10R0.97 NC(=O)NCCNCC(=O)O 269956a_100016091260_200000034859 [0,0,0,0,0,0|3,0,0]=3 150 B10R0.97 NC(=O)NCCNCC(=O)[O-] 34a_100020590234_100020667443 [0,0,0,0,0,0|3,0,1]=4 151 B10R0.97 NC(=O)NCCOCC(=O)[O-] 34a_100000181757_100020667443 [0,0,0,0,0,0|3,0,1]=4 152 B10R0.97 NC(=O)NCCSCC(=O)[O-] 62a_100020667443_200000034859 [0,0,0,0,0,0|3,0,1]=4 153 B10R0.97 NC(=O)NCCSCC(=O)[O-] 62a_200000034859_100020667443 [0,0,0,0,0,0|3,0,1]=4 154 B10R0.97 NC(=O)OCCSCC(=O)[O-] 62a_100020667443_200011214921 [0,0,0,0,0,0|3,0,1]=4 155 B10R0.97 NC(=O)OCCSCC(=O)[O-] 62a_200011214921_100020667443 [0,0,0,0,0,0|3,0,1]=4 156 B10R0.97 O=C(O)CNCCC=C(F)F 269956a_100016091260_200009816681 [0,0,0,0,0,0|3,0,1]=4 157 B10R0.97 O=C([O-])COCCC[N+](=O)[O-] 34a_200000037920_100020667443 [0,0,0,0,0,0|2,0,2]=4 158 B10R0.97 [13CH3]C(=O)CCCCC[N+](=O)[O-] 1458a_100000043470_200025704644 [0,0,0,0,0,0|2,0,1]=3 159 B9R0.2 C#CCCCCCC(=O)C 1458a_100000070787_100012094781 [1,0,0,0,0,0|2,0,1]=4 160 B9R0.2 C#CCCCCCC(=O)C 1458a_100000694772_200000210301 [1,0,0,0,0,0|2,0,1]=4 161 B9R0.2 C#CCCCCCC(=O)[13CH3] 1458a_100000694772_200025704644 [1,0,0,0,0,0|2,0,1]=4 162 B9R0.2 C#CCCCNCC(=O)O 269956a_100016091260_100011215417 [1,0,0,0,0,0|2,0,1]=4 163 B9R0.2 C=C(C)CSCCCC=O 62a_100000748629_200011292268 [1,0,0,0,0,0|3,0,0]=4 164 B9R0.2 C=C(C)CSCCCC=O 62a_200011292268_100000211660 [1,0,0,0,0,0|3,0,0]=4 165 B9R0.2 C=C(F)CSCCCC=O 62a_100000042424_200011292268 [1,0,0,0,0,0|3,0,0]=4 166 B9R0.2 C=C(F)CSCCCC=O 62a_200011292268_100000042424 [1,0,0,0,0,0|3,0,0]=4 167 B9R0.2 C=CCCCCCC(=O)C 1458a_100000070787_100000700193 [1,0,0,0,0,0|2,0,0]=3 168 B9R0.2 C=CCCCCCC(=O)C 1458a_100011934241_200000210301 [1,0,0,0,0,0|2,0,0]=3 169 B9R0.2 C=CCCCCCC(=O)[13CH3] 1458a_100011934241_200025704644 [1,0,0,0,0,0|2,0,0]=3 170 B9R0.2 C=CCCCCNC(=O)C 11a_100000703577_100015343762 [1,0,0,0,0,0|3,0,0]=4 171 B9R0.2 C=CCCCCNC(=O)C 1626a_100000703577_100015343762 [1,0,0,0,0,0|3,0,0]=4 172 B9R0.2 C=CCCCCNC(=O)C 240690a_100000703577_100015343762 [1,0,0,0,0,0|3,0,0]=4 173 B9R0.2 C=CCCCCNC(=O)C 527a_100000703577_100103153847 [1,0,0,0,0,0|3,0,0]=4 174 B9R0.2 C=CCCCNCC(=O)N 2230a_100000700776_100000747473 [1,0,0,0,0,0|3,0,0]=4 175 B9R0.2 C=CCCCNCC(=O)N 2230a_100000711301_100011713584 [1,0,0,0,0,0|3,0,0]=4 176 B9R0.2 C=CCCCNCC(=O)N 34a_100000700776_100000187820 [1,0,0,0,0,0|3,0,0]=4 177 B9R0.2 C=CCCCNCC(=O)O 269956a_100016091260_100011713584 [1,0,0,0,0,0|2,0,0]=3 178 B9R0.2 C=CCCCNCC(=O)[O-] 34a_100000700776_100020667443 [1,0,0,0,0,0|2,0,1]=4 179 B9R0.2 C=CCCCOCC(=O)C 34a_100000211253_100000757094 [1,0,0,0,0,0|3,0,0]=4 180 B9R0.2 C=CCCCOCC(=O)N 34a_100000758997_100000187820 [1,0,0,0,0,0|3,0,0]=4 181 B9R0.2 C=CCCCOCC(=O)N 7a_100000758997_100000187820 [1,0,0,0,0,0|3,0,0]=4 182 B9R0.2 C=CCCCOCC(=O)[O-] 34a_100000758997_100020667443 [1,0,0,0,0,0|2,0,1]=4 183 B9R0.2 C=CCCCSCC(=O)N 62a_100000747473_100000757094 [1,0,0,0,0,0|3,0,0]=4 184 B9R0.2 C=CCCCSCC(=O)N 62a_100011713584_100000747473 [1,0,0,0,0,0|3,0,0]=4 185 B9R0.2 C=CCCCSCC(=O)[O-] 62a_100011713584_100020667443 [1,0,0,0,0,0|2,0,1]=4 186 B9R0.2 C=CCCCSCC(=O)[O-] 62a_100020667443_100000757094 [1,0,0,0,0,0|2,0,1]=4 187 B9R0.2 C=CCCNCCC(=O)N 2230a_100015191253_100000744528 [1,0,0,0,0,0|3,0,0]=4 188 B9R0.2 C=CCCNOCC(=O)O 269956a_100000106656_100000754431 [1,0,0,0,0,0|3,0,0]=4 189 B9R0.2 C=CCCOCCC(=O)C 34a_100000759926_100000754431 [1,0,0,0,0,0|3,0,0]=4 190 B9R0.2 C=CCCOCCC(=O)C 7a_100000759926_100000754431 [1,0,0,0,0,0|3,0,0]=4 191 B9R0.2 C=CCCOCCC(=O)N 34a_100000757172_100000754431 [1,0,0,0,0,0|3,0,0]=4 192 B9R0.2 C=CCCOCCC(=O)N 34a_100011205117_100000731001 [1,0,0,0,0,0|3,0,0]=4 193 B9R0.2 C=CCCOCCC(=O)N 7a_100000757172_100000754431 [1,0,0,0,0,0|3,0,0]=4 194 B9R0.2 C=CCCSCCC(=O)C 62a_100000053229_100000754431 [1,0,0,0,0,0|3,0,0]=4 195 B9R0.2 C=CCCSCCC(=O)C 62a_100000754431_100000053229 [1,0,0,0,0,0|3,0,0]=4 196 B9R0.2 C=CCCSCCC(=O)N 62a_100000744528_100000754431 [1,0,0,0,0,0|3,0,0]=4 197 B9R0.2 C=CCCSCCC(=O)N 62a_100000754431_100000744528 [1,0,0,0,0,0|3,0,0]=4 198 B9R0.2 C=CCNCCCC(=O)N 34a_100000739312_100015514636 [1,0,0,0,0,0|3,0,0]=4 199 B9R0.2 C=CCOCCCC(=O)C 34a_100000759063_100015514636 [1,0,0,0,0,0|3,0,0]=4 200 B9R0.2 C=CCOCCCC(=O)C 34a_200000210373_100000685027 [1,0,0,0,0,0|3,0,0]=4 201 B9R0.2 C=CCOCCCC(=O)C 7a_100000759063_100015514636 [1,0,0,0,0,0|3,0,0]=4 202 B9R0.2 C=CCOCCCC(=O)N 34a_200000210373_100102525003 [1,0,0,0,0,0|3,0,0]=4 203 B9R0.2 C=CCSCCCC(=O)C 62a_100000210623_100011215641 [1,0,0,0,0,0|3,0,0]=4 204 B9R0.2 C=CCSCCCC(=O)C 62a_100011215641_100000210623 [1,0,0,0,0,0|3,0,0]=4 205 B9R0.2 C=CCSCCCC(=O)N 62a_100000210623_100102525003 [1,0,0,0,0,0|3,0,0]=4 206 B9R0.2 C=CCSCCCC(=O)N 62a_100102525003_100000210623 [1,0,0,0,0,0|3,0,0]=4 207 B9R0.2 C=COCCNCC(=O)O 269956a_100016091260_100000039644 [1,0,0,0,0,0|3,0,0]=4 208 B9R0.2 CC(=O)CCCCCC#N 1458a_100000070787_100009813376 [1,0,0,0,0,0|2,0,1]=4 209 B9R0.2 CC(=O)CCCCCCF 1458a_100000070787_100015922095 [1,0,0,0,0,0|2,0,1]=4 210 B9R0.2 CC(=O)CCCCCCO 1458a_100000070787_100000766143 [1,0,0,0,0,0|1,0,1]=3 211 B9R0.2 CC(=O)CCCCCCO 1458a_100011996774_200000210301 [1,0,0,0,0,0|1,0,1]=3 212 B9R0.2 CC(=O)CCCNCCO 34a_100016990907_100000685027 [1,0,0,0,0,0|2,0,1]=4 213 B9R0.2 CC(=O)CCCOCC=O 34a_100000759063_200009817547 [1,0,0,0,0,0|2,0,0]=3 214 B9R0.2 CC(=O)CCCOCC=O 7a_100000759063_200015260668 [1,0,0,0,0,0|2,0,0]=3 215 B9R0.2 CC(=O)CCCOCCO 34a_100000759063_100000211926 [1,0,0,0,0,0|2,0,1]=4 216 B9R0.2 CC(=O)CCCOCCO 7a_100000759063_100000211926 [1,0,0,0,0,0|2,0,1]=4 217 B9R0.2 CC(=O)CCCSCC=O 62a_100011215641_200015260668 [1,0,0,0,0,0|2,0,0]=3 218 B9R0.2 CC(=O)CCCSCC=O 62a_200015260668_100011215641 [1,0,0,0,0,0|2,0,0]=3 219 B9R0.2 CC(=O)CCCSCCO 62a_100000211926_100011215641 [1,0,0,0,0,0|2,0,1]=4 220 B9R0.2 CC(=O)CCCSCCO 62a_100011215641_100000211926 [1,0,0,0,0,0|2,0,1]=4 221 B9R0.2 CC(=O)CCOCCCO 34a_100000759926_100000230001 [1,0,0,0,0,0|2,0,1]=4 222 B9R0.2 CC(=O)CCOCCCO 7a_100000759926_100011215043 [1,0,0,0,0,0|2,0,1]=4 223 B9R0.2 CC(=O)CCSCCCO 62a_100000053229_100011215043 [1,0,0,0,0,0|2,0,1]=4 224 B9R0.2 CC(=O)CCSCCCO 62a_100011215043_100000053229 [1,0,0,0,0,0|2,0,1]=4 225 B9R0.2 CC(=O)COCCCCO 34a_100000211253_100011216708 [1,0,0,0,0,0|2,0,1]=4 226 B9R0.2 CC(=O)NCCCCCO 240690a_100000762737_100015343762 [1,0,0,0,0,0|2,0,1]=4 227 B9R0.2 CC(=O)NCCNCC=O 2230a_100000209853_200015260668 [1,0,0,0,0,0|3,0,0]=4 228 B9R0.2 CC(=O)NCCOCC=O 34a_100000158858_200009817547 [1,0,0,0,0,0|3,0,0]=4 229 B9R0.2 CC(=O)NCCSCC=O 62a_100000189650_200015260668 [1,0,0,0,0,0|3,0,0]=4 230 B9R0.2 CC(=O)NCCSCC=O 62a_200015260668_100000189650 [1,0,0,0,0,0|3,0,0]=4 231 B9R0.2 CC(=O)OCCSCC=O 62a_100009814007_200015260668 [1,0,0,0,0,0|3,0,0]=4 232 B9R0.2 CC(=O)OCCSCC=O 62a_200015260668_100009814007 [1,0,0,0,0,0|3,0,0]=4 233 B9R0.2 CC(O)CCCSCC=O 62a_200000718107_200015260668 [1,0,0,0,0,0|2,0,1]=4 234 B9R0.2 CC(O)CCCSCC=O 62a_200015260668_200000718107 [1,0,0,0,0,0|2,0,1]=4 235 B9R0.2 CC(O)CNCCCC=O 2230a_100000210904_200011292268 [1,0,0,0,0,0|2,0,1]=4 236 B9R0.2 CC(O)CSCCCC=O 62a_100011218427_200011292268 [1,0,0,0,0,0|2,0,1]=4 237 B9R0.2 CC(O)CSCCCC=O 62a_200011292268_100011218427 [1,0,0,0,0,0|2,0,1]=4 238 B9R0.2 CCCCCCCC(=O)C 1458a_100000070787_100000210614 [1,0,0,0,0,0|2,0,1]=4 239 B9R0.2 CCCCCCCC(=O)C 1458a_100000211969_200000210301 [1,0,0,0,0,0|2,0,1]=4 240 B9R0.2 CCCCCCCC(=O)[13CH3] 1458a_100000211969_200025704644 [1,0,0,0,0,0|2,0,1]=4 241 B9R0.2 CCCCCNCC(=O)O 269956a_100016091260_100000210326 [1,0,0,0,0,0|2,0,1]=4 242 B9R0.2 CN(C)CCCCCC=O 2230a_100102631434_100000139337 [1,0,0,0,0,0|3,0,0]=4 243 B9R0.2 CN(C)CCCCCC=O 269982a_100102631434_100000139337 [1,0,0,0,0,0|3,0,0]=4 244 B9R0.2 CNCCCCCC(=O)N 2230a_106832991635_100009817443 [1,0,0,0,0,0|3,0,0]=4 245 B9R0.2 CNCCCCCC(=O)N 34a_100102657272_100009817443 [1,0,0,0,0,0|3,0,0]=4 246 B9R0.2 CNCCCCCC(=O)N 7a_106832991635_100009817443 [1,0,0,0,0,0|3,0,0]=4 247 B9R0.2 COCCCCCC(=O)C 1458a_100011935119_200000210301 [1,0,0,0,0,0|3,0,0]=4 248 B9R0.2 COCCCCCC(=O)N 34a_100000123541_200000210301 [1,0,0,0,0,0|3,0,0]=4 249 B9R0.2 COCCCCCC(=O)N 34a_100138415774_100009817443 [1,0,0,0,0,0|3,0,0]=4 250 B9R0.2 COCCCCCC(=O)N 7a_100000123541_200000210301 [1,0,0,0,0,0|3,0,0]=4 251 B9R0.2 COCCCCCC(=O)[13CH3] 1458a_100011935119_200025704644 [1,0,0,0,0,0|3,0,0]=4 252 B9R0.2 COCCCCCC(=O)[O-] 7a_100102619762_200000210301 [1,0,0,0,0,0|2,0,1]=4 253 B9R0.2 COCCCNCC(=O)O 269956a_100016091260_100000740836 [1,0,0,0,0,0|3,0,0]=4 254 B9R0.2 CS(=O)CCCNCC=O 2230a_200000753449_200015260668 [1,0,0,0,0,0|3,0,0]=4 255 B9R0.2 CSCCCCCC(=O)N 62a_100009817443_200000210301 [1,0,0,0,0,0|3,0,0]=4 256 B9R0.2 CSCCCCCC(=O)N 62a_200000210301_100009817443 [1,0,0,0,0,0|3,0,0]=4 257 B9R0.2 C[C@@H](O)CSCCCC=O 62a_100009817552_200011292268 [1,0,0,0,0,0|2,0,1]=4 258 B9R0.2 C[C@@H](O)CSCCCC=O 62a_200011292268_100009817552 [1,0,0,0,0,0|2,0,1]=4 259 B9R0.2 N#CCCCNCC(=O)O 269956a_100016091260_100000687738 [1,0,0,0,0,0|2,0,1]=4 260 B9R0.2 NC(=O)CCCNCC=O 34a_100000739312_200009817547 [1,0,0,0,0,0|2,0,0]=3 261 B9R0.2 NC(=O)CCCNCCO 34a_100000739312_100000211926 [1,0,0,0,0,0|2,0,1]=4 262 B9R0.2 NC(=O)CCCNCCO 34a_100016990907_100102525003 [1,0,0,0,0,0|2,0,1]=4 263 B9R0.2 NC(=O)CCCSCC=O 62a_100102525003_200015260668 [1,0,0,0,0,0|2,0,0]=3 264 B9R0.2 NC(=O)CCCSCC=O 62a_200015260668_100102525003 [1,0,0,0,0,0|2,0,0]=3 265 B9R0.2 NC(=O)CCCSCCO 62a_100000211926_100102525003 [1,0,0,0,0,0|2,0,1]=4 266 B9R0.2 NC(=O)CCCSCCO 62a_100102525003_100000211926 [1,0,0,0,0,0|2,0,1]=4 267 B9R0.2 NC(=O)CCOCCCO 34a_100000757172_100000230001 [1,0,0,0,0,0|2,0,1]=4 268 B9R0.2 NC(=O)CCOCCCO 7a_100000757172_100011215043 [1,0,0,0,0,0|2,0,1]=4 269 B9R0.2 NC(=O)CCSCCCO 62a_100000744528_100011215043 [1,0,0,0,0,0|2,0,1]=4 270 B9R0.2 NC(=O)CCSCCCO 62a_100011215043_100000744528 [1,0,0,0,0,0|2,0,1]=4 271 B9R0.2 NC(=O)CNCCCC=O 2230a_100000711301_200011292268 [1,0,0,0,0,0|2,0,0]=3 272 B9R0.2 NC(=O)CNCCCCO 2230a_100000711301_100000210776 [1,0,0,0,0,0|2,0,1]=4 273 B9R0.2 NC(=O)CNCCCCO 2230a_100000750430_100000747473 [1,0,0,0,0,0|2,0,1]=4 274 B9R0.2 NC(=O)CNCCCCO 34a_100000750430_100000187820 [1,0,0,0,0,0|2,0,1]=4 275 B9R0.2 NC(=O)CSCCCC=O 62a_100000747473_200011292268 [1,0,0,0,0,0|2,0,0]=3 276 B9R0.2 NC(=O)CSCCCC=O 62a_200011292268_100000747473 [1,0,0,0,0,0|2,0,0]=3 277 B9R0.2 NC(=O)CSCCCCO 62a_100000210776_100000747473 [1,0,0,0,0,0|2,0,1]=4 278 B9R0.2 NC(=O)CSCCCCO 62a_100000747473_100000210776 [1,0,0,0,0,0|2,0,1]=4 279 B9R0.2 NC(=O)NCCNCC=O 34a_100020590234_200009817547 [1,0,0,0,0,0|3,0,0]=4 280 B9R0.2 NC(=O)NCCOCC=O 34a_100000181757_200009817547 [1,0,0,0,0,0|3,0,0]=4 281 B9R0.2 NC(=O)NCCSCC=O 62a_200000034859_200015260668 [1,0,0,0,0,0|3,0,0]=4 282 B9R0.2 NC(=O)NCCSCC=O 62a_200015260668_200000034859 [1,0,0,0,0,0|3,0,0]=4 283 B9R0.2 NC(=O)OCCOCC=O 7a_100000766696_200015260668 [1,0,0,0,0,0|3,0,0]=4 284 B9R0.2 NC(=O)OCCSCC=O 62a_200011214921_200015260668 [1,0,0,0,0,0|3,0,0]=4 285 B9R0.2 NC(=O)OCCSCC=O 62a_200015260668_200011214921 [1,0,0,0,0,0|3,0,0]=4 286 B9R0.2 O=C(O)CNCCCCF 269956a_100016091260_100000729493 [1,0,0,0,0,0|2,0,1]=4 287 B9R0.2 O=C(O)CNCCCCO 269956a_100016091260_100000210776 [1,0,0,0,0,0|1,0,1]=3 288 B9R0.2 O=C(O)CONCCCO 269956a_100000106656_100011215043 [1,0,0,0,0,0|2,0,1]=4 289 B9R0.2 O=C([O-])CNCCCCO 34a_100000750430_100020667443 [1,0,0,0,0,0|1,0,2]=4 290 B9R0.2 O=C([O-])CSCCCCO 62a_100000210776_100020667443 [1,0,0,0,0,0|1,0,2]=4 291 B9R0.2 O=C([O-])CSCCCCO 62a_100020667443_100000210776 [1,0,0,0,0,0|1,0,2]=4 292 B9R0.2 O=CCCCNCC(=O)O 269956a_100016091260_200011292268 [1,0,0,0,0,0|1,0,0]=2 293 B9R0.2 O=CCCCSCC(=O)[O-] 62a_100020667443_200011292268 [1,0,0,0,0,0|1,0,1]=3 294 B9R0.2 O=CCCCSCC(=O)[O-] 62a_200011292268_100020667443 [1,0,0,0,0,0|1,0,1]=3 295 B9R0.2 O=CCCCSC[N+](=O)[O-] 62a_200011292268_100000761209 [1,0,0,0,0,0|2,0,1]=4 296 B9R0.2 O=CCOCCC[N+](=O)[O-] 34a_200000037920_200009817547 [1,0,0,0,0,0|2,0,1]=4 297 B9R0.2 [13CH3]C(=O)CCCCCCO 1458a_100011996774_200025704644 [1,0,0,0,0,0|1,0,1]=3 298 B9R0.2 [13CH3]OCCCCCC(=O)N 34a_100000123541_200025704644 [1,0,0,0,0,0|3,0,0]=4 299 B9R0.2 [13CH3]OCCCCCC(=O)N 7a_100000123541_200025704644 [1,0,0,0,0,0|3,0,0]=4 300 B9R0.2 [13CH3]OCCCCCC(=O)[O-] 7a_100102619762_200025704644 [1,0,0,0,0,0|2,0,1]=4 301 B9R0.2 [13CH3]SCCCCCC(=O)N 62a_100009817443_200025704644 [1,0,0,0,0,0|3,0,0]=4 302 B9R0.2 [13CH3]SCCCCCC(=O)N 62a_200025704644_100009817443 [1,0,0,0,0,0|3,0,0]=4 303 B11R0.6 C=C(C)CN(C)CCCC(=O)O 269956a_100000719178_100000748629 [0,1,0,0,0,0|3,0,0]=4 304 B11R0.6 C=C(C)CNCC(O)CC(=O)O 269956a_100011218706_100000748629 [0,1,0,0,0,0|3,0,0]=4 305 B11R0.6 C=C(F)CN(C)CCCC(=O)O 269956a_100000719178_100000042424 [0,1,0,0,0,0|3,0,0]=4 306 B11R0.6 C=C(F)CNCC(O)CC(=O)O 269956a_100011218706_100000042424 [0,1,0,0,0,0|3,0,0]=4 307 B11R0.6 CC(=O)CCCC(=O)CC(=O)N 1458a_100134613110_100011215641 [0,1,0,0,0,0|2,0,1]=4 308 B11R0.6 CC(=O)CCCN(C)CC(=O)O 269956a_100000746989_100011215641 [0,1,0,0,0,0|2,0,0]=3 309 B11R0.6 CC(=O)NCCN(C)CC(=O)O 269956a_100000746989_100000189650 [0,1,0,0,0,0|3,0,0]=4 310 B11R0.6 CC(=O)OCCN(C)CC(=O)O 269956a_100000746989_100009814007 [0,1,0,0,0,0|3,0,0]=4 311 B11R0.6 CC(O)CCCN(C)CC(=O)O 269956a_100000746989_200000718107 [0,1,0,0,0,0|2,0,1]=4 312 B11R0.6 CC(O)CN(C)CCCC(=O)O 269956a_100000719178_100011218427 [0,1,0,0,0,0|2,0,1]=4 313 B11R0.6 CC(O)CNCC(O)CC(=O)O 269956a_100011218706_100011218427 [0,1,0,0,0,0|2,0,1]=4 314 B11R0.6 CN(CCCC(=O)N)CC(=O)O 269956a_100000746989_100102525003 [0,1,0,0,0,0|2,0,0]=3 315 B11R0.6 CN(CCCC(=O)O)CC(=O)N 269956a_100000719178_100000187820 [0,1,0,0,0,0|2,0,0]=3 316 B11R0.6 CN(CCCC(=O)O)CC(=O)[O-] 269956a_100000719178_100020667443 [0,1,0,0,0,0|1,0,1]=3 317 B11R0.6 CN(CCCC(=O)O)C[N+](=O)[O-] 269956a_100000719178_100000761209 [0,1,0,0,0,0|2,0,1]=4 318 B11R0.6 CN(CCNC(=O)N)CC(=O)O 269956a_100000746989_200000034859 [0,1,0,0,0,0|3,0,0]=4 319 B11R0.6 C[C@@H](O)CN(C)CCCC(=O)O 269956a_100000719178_100009817552 [0,1,0,0,0,0|2,0,1]=4 320 B11R0.6 C[C@@H](O)CNCC(O)CC(=O)O 269956a_100011218706_100009817552 [0,1,0,0,0,0|2,0,1]=4 321 B11R0.6 NC(=O)CCCC(=O)CC(=O)N 1458a_100134613110_100102525003 [0,1,0,0,0,0|2,0,1]=4 322 B11R0.6 NC(=O)CNCC(O)CC(=O)O 269956a_100011218706_100000187820 [0,1,0,0,0,0|2,0,0]=3 323 B11R0.6 O=C(O)CC(O)CNC[N+](=O)[O-] 269956a_100011218706_100000761209 [0,1,0,0,0,0|2,0,1]=4 324 B11R0.6 O=C([O-])CNCC(O)CC(=O)O 269956a_100011218706_100020667443 [0,1,0,0,0,0|1,0,1]=3 325 B11R0.29 C=C(C)CCNCC(C)C(=O)O 269956a_100000749485_100000730704 [0,1,0,0,0,0|3,0,0]=4 326 B11R0.29 C=C(C)CCNCC(F)C(=O)O 269956a_100000084737_100000730704 [0,1,0,0,0,0|3,0,0]=4 327 B11R0.29 CC(=O)C(C)COCCC(=O)N 34a_100000032740_100000731001 [0,1,0,0,0,0|3,0,0]=4 328 B11R0.29 CC(=O)C(C)COCCC(=O)N 7a_100000032740_100000744528 [0,1,0,0,0,0|3,0,0]=4 329 B11R0.29 CC(=O)C(C)OCCCC(=O)N 34a_100000212229_100102525003 [0,1,0,0,0,0|3,0,0]=4 330 B11R0.29 CC(=O)C(C)SCCCC(=O)N 62a_100009814033_100102525003 [0,1,0,0,0,0|3,0,0]=4 331 B11R0.29 CC(=O)C(C)SCCCC(=O)N 62a_100102525003_100009814033 [0,1,0,0,0,0|3,0,0]=4 332 B11R0.29 CC(=O)CCCN[C@@H](C)C(=O)O 269956a_100000743915_100011215641 [0,1,0,0,0,0|2,0,0]=3 333 B11R0.29 CC(=O)CCCN[C@H](C)C(=O)N 34a_100000119354_100000685027 [0,1,0,0,0,0|3,0,0]=4 334 B11R0.29 CC(=O)CCCOC(C)C(=O)C 34a_100000212229_100000685027 [0,1,0,0,0,0|3,0,0]=4 335 B11R0.29 CC(=O)CCCOC(C)C(=O)C 7a_100000759063_100000179758 [0,1,0,0,0,0|3,0,0]=4 336 B11R0.29 CC(=O)CCCOC(C)C(=O)N 34a_100000759063_100000702099 [0,1,0,0,0,0|3,0,0]=4 337 B11R0.29 CC(=O)CCCOC(C)C(=O)N 7a_100000759063_100000702099 [0,1,0,0,0,0|3,0,0]=4 338 B11R0.29 CC(=O)CCCOC(F)C(=O)N 34a_100000759063_100009813875 [0,1,0,0,0,0|3,0,0]=4 339 B11R0.29 CC(=O)CCCOC(F)C(=O)N 7a_100000759063_100009813875 [0,1,0,0,0,0|3,0,0]=4 340 B11R0.29 CC(=O)CCCOC(F)C(=O)[O-] 34a_100000759063_100020610796 [0,1,0,0,0,0|2,0,1]=4 341 B11R0.29 CC(=O)CCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100011215641 [0,1,0,0,0,0|2,0,1]=4 342 B11R0.29 CC(=O)CCCO[C@H](C)C(=O)N 34a_100000731257_100000685027 [0,1,0,0,0,0|3,0,0]=4 343 B11R0.29 CC(=O)CCCO[C@H](C)C(=O)N 7a_100000731257_100011215641 [0,1,0,0,0,0|3,0,0]=4 344 B11R0.29 CC(=O)CCCSC(C)C(=O)C 62a_100009814033_100011215641 [0,1,0,0,0,0|3,0,0]=4 345 B11R0.29 CC(=O)CCCSC(C)C(=O)C 62a_100011215641_100009814033 [0,1,0,0,0,0|3,0,0]=4 346 B11R0.29 CC(=O)CCCSC(C)C(=O)N 62a_100000702099_100011215641 [0,1,0,0,0,0|3,0,0]=4 347 B11R0.29 CC(=O)CCCSC(C)C(=O)N 62a_100011215641_100000702099 [0,1,0,0,0,0|3,0,0]=4 348 B11R0.29 CC(=O)CCCSC(F)C(=O)N 62a_100009813875_100011215641 [0,1,0,0,0,0|3,0,0]=4 349 B11R0.29 CC(=O)CCCSC(F)C(=O)N 62a_100011215641_100009813875 [0,1,0,0,0,0|3,0,0]=4 350 B11R0.29 CC(=O)CCCSC(F)C(=O)[O-] 62a_100011215641_100020610796 [0,1,0,0,0,0|2,0,1]=4 351 B11R0.29 CC(=O)CCCSC(F)C(=O)[O-] 62a_100020610796_100011215641 [0,1,0,0,0,0|2,0,1]=4 352 B11R0.29 CC(=O)CCNCC(C)C(=O)O 269956a_100000749485_100000053229 [0,1,0,0,0,0|2,0,0]=3 353 B11R0.29 CC(=O)CCNCC(F)C(=O)O 269956a_100000084737_100000053229 [0,1,0,0,0,0|2,0,0]=3 354 B11R0.29 CC(=O)CCOCC(C)C(=O)C 7a_100000032740_100000053229 [0,1,0,0,0,0|3,0,0]=4 355 B11R0.29 CC(=O)NCCN[C@@H](C)C(=O)O 269956a_100000743915_100000189650 [0,1,0,0,0,0|3,0,0]=4 356 B11R0.29 CC(=O)OCCN[C@@H](C)C(=O)O 269956a_100000743915_100009814007 [0,1,0,0,0,0|3,0,0]=4 357 B11R0.29 CC(=O)OCNCC(C)C(=O)O 269956a_100000749485_100000076356 [0,1,0,0,0,0|3,0,0]=4 358 B11R0.29 CC(=O)OCNCC(F)C(=O)O 269956a_100000084737_100000076356 [0,1,0,0,0,0|3,0,0]=4 359 B11R0.29 CC(CNCCC(=O)N)C(=O)O 269956a_100000749485_100000744528 [0,1,0,0,0,0|2,0,0]=3 360 B11R0.29 CC(NCCCC(=O)N)C(=O)N 34a_100000739312_100000702099 [0,1,0,0,0,0|3,0,0]=4 361 B11R0.29 CC(O)CCCN[C@@H](C)C(=O)O 269956a_100000743915_200000718107 [0,1,0,0,0,0|2,0,1]=4 362 B11R0.29 CC(O)CCNCC(C)C(=O)O 269956a_100000749485_100012276601 [0,1,0,0,0,0|2,0,1]=4 363 B11R0.29 CC(O)CCNCC(F)C(=O)O 269956a_100000084737_100012276601 [0,1,0,0,0,0|2,0,1]=4 364 B11R0.29 CC(SCCCC(=O)N)C(=O)N 62a_100000702099_100102525003 [0,1,0,0,0,0|3,0,0]=4 365 B11R0.29 CC(SCCCC(=O)N)C(=O)N 62a_100102525003_100000702099 [0,1,0,0,0,0|3,0,0]=4 366 B11R0.29 C[C@@H](NCCCC(=O)N)C(=O)N 34a_100000119354_100102525003 [0,1,0,0,0,0|3,0,0]=4 367 B11R0.29 C[C@@H](OCCCC(=O)N)C(=O)N 34a_100000731257_100102525003 [0,1,0,0,0,0|3,0,0]=4 368 B11R0.29 C[C@@H](OCCCC(=O)N)C(=O)N 7a_100000731257_100102525003 [0,1,0,0,0,0|3,0,0]=4 369 B11R0.29 C[C@H](NCCCC(=O)N)C(=O)O 269956a_100000743915_100102525003 [0,1,0,0,0,0|2,0,0]=3 370 B11R0.29 C[C@H](NCCNC(=O)N)C(=O)O 269956a_100000743915_200000034859 [0,1,0,0,0,0|3,0,0]=4 371 B11R0.29 C[C@H](OCCCC(=O)N)C(=O)[O-] 7a_217856618621_100102525003 [0,1,0,0,0,0|2,0,1]=4 372 B11R0.29 NC(=O)CCCNC(F)C(=O)N 34a_100000739312_100009813875 [0,1,0,0,0,0|3,0,0]=4 373 B11R0.29 NC(=O)CCCNC(F)C(=O)[O-] 34a_100000739312_100020610796 [0,1,0,0,0,0|2,0,1]=4 374 B11R0.29 NC(=O)CCCSC(F)C(=O)N 62a_100009813875_100102525003 [0,1,0,0,0,0|3,0,0]=4 375 B11R0.29 NC(=O)CCCSC(F)C(=O)N 62a_100102525003_100009813875 [0,1,0,0,0,0|3,0,0]=4 376 B11R0.29 NC(=O)CCCSC(F)C(=O)[O-] 62a_100020610796_100102525003 [0,1,0,0,0,0|2,0,1]=4 377 B11R0.29 NC(=O)CCCSC(F)C(=O)[O-] 62a_100102525003_100020610796 [0,1,0,0,0,0|2,0,1]=4 378 B11R0.29 NC(=O)CCNCC(F)C(=O)O 269956a_100000084737_100000744528 [0,1,0,0,0,0|2,0,0]=3 379 B11R0.29 NC(=O)CCOC[C@H](N)C(=O)N 34a_100000729942_100000731001 [0,1,0,0,0,0|3,0,0]=4 380 B11R0.31 CC(C)(O)CCCNCC(=O)O 269956a_100016091260_100009888830 [0,1,0,0,0,0|2,0,1]=4 381 B11R0.31 CS(=O)(=O)CCCNCC(=O)O 269956a_100016091260_100000754308 [0,1,0,0,0,0|2,0,1]=4 382 B11R0.31 NS(=O)(=O)CCCNCC(=O)O 269956a_100016091260_100000750626 [0,1,0,0,0,0|2,0,1]=4 383 B11R0.31 O=C(O)CNCCCS(=O)(=O)[O-] 269956a_100016091260_100009813499 [0,1,0,0,0,0|2,0,1]=4 384 B11R0.85 CN(CCC(=O)N)CCC(=O)N 2230a_100000730477_100000744528 [0,1,0,0,0,0|3,0,0]=4 385 B11R0.111 C#CC(=O)CCCCCB(O)O 1458a_100000211873_200009817188 [0,1,0,0,0,0|2,0,1]=4 386 B11R0.111 C#CC(=O)CCCCCC(=O)N 1458a_100000211873_100009817443 [0,1,0,0,0,0|2,0,0]=3 387 B11R0.111 C#CC(=O)CCCCOC(=O)C 1458a_100000211873_100000033659 [0,1,0,0,0,0|3,0,0]=4 388 B11R0.111 C#CC(=O)CCCCSC(=O)C 1458a_100000211873_200010402107 [0,1,0,0,0,0|3,0,0]=4 389 B11R0.111 C#CC(O)CCCCCC(=O)C 1458a_100000070787_200010408556 [0,1,0,0,0,0|2,0,1]=4 390 B11R0.111 C=C(Br)CCOCCC(=O)OC 34a_100009813270_100000742370 [0,1,0,0,0,0|3,0,0]=4 391 B11R0.111 C=C(C)CCOCCC(=O)OC 34a_100000764851_100000742370 [0,1,0,0,0,0|3,0,0]=4 392 B11R0.111 C=C(C)CCSCCC(=O)OC 62a_100000204255_100000730704 [0,1,0,0,0,0|3,0,0]=4 393 B11R0.111 C=C(C)CCSCCC(=O)OC 62a_100000730704_100000204255 [0,1,0,0,0,0|3,0,0]=4 394 B11R0.111 C=C(C)COCCCC(=O)OC 34a_100000210245_100000742333 [0,1,0,0,0,0|3,0,0]=4 395 B11R0.111 C=C(C)CSCCCC(=O)OC 62a_100000748629_100011218270 [0,1,0,0,0,0|3,0,0]=4 396 B11R0.111 C=C(C)CSCCCC(=O)OC 62a_100011218270_100000211660 [0,1,0,0,0,0|3,0,0]=4 397 B11R0.111 C=C(F)COCCCC(=O)OC 34a_200010262243_100000742333 [0,1,0,0,0,0|3,0,0]=4 398 B11R0.111 C=C(F)CSCCCC(=O)OC 62a_100000042424_100011218270 [0,1,0,0,0,0|3,0,0]=4 399 B11R0.111 C=C(F)CSCCCC(=O)OC 62a_100011218270_100000042424 [0,1,0,0,0,0|3,0,0]=4 400 B11R0.111 C=CC(=O)CCCCCB(O)O 1458a_100000185746_200009817188 [0,1,0,0,0,0|2,0,1]=4 401 B11R0.111 C=CC(=O)CCCCCC(=O)N 1458a_100000185746_100009817443 [0,1,0,0,0,0|2,0,0]=3 402 B11R0.111 C=CC(=O)CCCCOC(=O)C 1458a_100000185746_100000033659 [0,1,0,0,0,0|3,0,0]=4 403 B11R0.111 C=CC(=O)CCCCSC(=O)C 1458a_100000185746_200010402107 [0,1,0,0,0,0|3,0,0]=4 404 B11R0.111 C=CC(=O)NCCCCC(=O)N 1626a_100000696515_100000185746 [0,1,0,0,0,0|3,0,0]=4 405 B11R0.111 C=CC(=O)NCCCCC(=O)N 240690a_100000696515_200121576911 [0,1,0,0,0,0|3,0,0]=4 406 B11R0.111 CC(=O)NCCCNC(=O)CO 240690a_100000736810_100000210174 [0,1,0,0,0,0|3,0,0]=4 407 B11R0.111 CC(=O)NCCCNC(=O)CO 527a_100000736810_100000210174 [0,1,0,0,0,0|3,0,0]=4 408 B11R0.111 CC(=O)OCCCCC(=O)CO 1458a_100000210174_100000033659 [0,1,0,0,0,0|2,0,0]=3 409 B11R0.111 CC(=O)SCCCCC(=O)CO 1458a_100000210174_200010402107 [0,1,0,0,0,0|2,0,0]=3 410 B11R0.111 CC(C)CCCCCC(=O)CO 1458a_100000210174_100000210682 [0,1,0,0,0,0|2,0,1]=4 411 B11R0.111 CCC(=O)CCCCCB(O)O 1458a_100000210414_200009817188 [0,1,0,0,0,0|2,0,1]=4 412 B11R0.111 CCC(=O)CCCCCC(=O)N 1458a_100000210414_100009817443 [0,1,0,0,0,0|2,0,0]=3 413 B11R0.111 CCC(=O)CCCCC[N+](=O)[O-] 1458a_100000043470_100000210202 [0,1,0,0,0,0|2,0,1]=4 414 B11R0.111 CCC(=O)CCCCOC(=O)C 1458a_100000210414_100000033659 [0,1,0,0,0,0|3,0,0]=4 415 B11R0.111 CCC(=O)CCCCSC(=O)C 1458a_100000210414_200010402107 [0,1,0,0,0,0|3,0,0]=4 416 B11R0.111 CCC(=O)COCCCC(=O)C 34a_100000725409_100000685027 [0,1,0,0,0,0|3,0,0]=4 417 B11R0.111 CCC(=O)COCCCC(=O)C 7a_100000759063_100000747405 [0,1,0,0,0,0|3,0,0]=4 418 B11R0.111 CCC(=O)COCCCC(=O)N 34a_100000725409_100102525003 [0,1,0,0,0,0|3,0,0]=4 419 B11R0.111 CCC(=O)CSCCCC(=O)C 62a_100000747405_100011215641 [0,1,0,0,0,0|3,0,0]=4 420 B11R0.111 CCC(=O)CSCCCC(=O)C 62a_100011215641_100000747405 [0,1,0,0,0,0|3,0,0]=4 421 B11R0.111 CCC(=O)CSCCCC(=O)N 62a_100000747405_100102525003 [0,1,0,0,0,0|3,0,0]=4 422 B11R0.111 CCC(=O)CSCCCC(=O)N 62a_100102525003_100000747405 [0,1,0,0,0,0|3,0,0]=4 423 B11R0.111 CCC(=O)NCCCCC(=O)N 11a_100000696515_100000210414 [0,1,0,0,0,0|3,0,0]=4 424 B11R0.111 CCC(=O)NCCCCC(=O)N 1626a_100000696515_100000210414 [0,1,0,0,0,0|3,0,0]=4 425 B11R0.111 CCC(=O)NCCCCC(=O)N 240690a_100000696515_100000210414 [0,1,0,0,0,0|3,0,0]=4 426 B11R0.111 CCC(=O)NCCCCC(=O)N 527a_100000696515_100000210414 [0,1,0,0,0,0|3,0,0]=4 427 B11R0.111 CNC(=O)CCCCC[N+](=O)[O-] 11a_106832991635_100000043470 [0,1,0,0,0,0|2,0,1]=4 428 B11R0.111 CNC(=O)CCCCC[N+](=O)[O-] 1626a_100102657272_100000043470 [0,1,0,0,0,0|2,0,1]=4 429 B11R0.111 CNC(=O)CCCCC[N+](=O)[O-] 240690a_100102657272_100000043470 [0,1,0,0,0,0|2,0,1]=4 430 B11R0.111 CNC(=O)CCCCC[N+](=O)[O-] 527a_100102657272_100000043470 [0,1,0,0,0,0|2,0,1]=4 431 B11R0.111 CNC(=O)CCCNCC(=O)N 2230a_100000711301_100000741757 [0,1,0,0,0,0|3,0,0]=4 432 B11R0.111 CNC(=O)CCCNCC(=O)N 2230a_100000740002_100000747473 [0,1,0,0,0,0|3,0,0]=4 433 B11R0.111 CNC(=O)CCCNCC(=O)N 34a_100000740002_100000187820 [0,1,0,0,0,0|3,0,0]=4 434 B11R0.111 CNC(=O)CCCNCC(=O)O 269956a_100016091260_100000741757 [0,1,0,0,0,0|2,0,0]=3 435 B11R0.111 CNC(=O)CCCNCC(=O)[O-] 34a_100000740002_100020667443 [0,1,0,0,0,0|2,0,1]=4 436 B11R0.111 CNC(=O)CCCOCC(=O)C 34a_100000211253_100000741757 [0,1,0,0,0,0|3,0,0]=4 437 B11R0.111 CNC(=O)CCCSCC(=O)N 62a_100000741757_100000747473 [0,1,0,0,0,0|3,0,0]=4 438 B11R0.111 CNC(=O)CCCSCC(=O)N 62a_100000747473_100000741757 [0,1,0,0,0,0|3,0,0]=4 439 B11R0.111 CNC(=O)CCCSCC(=O)[O-] 62a_100000741757_100020667443 [0,1,0,0,0,0|2,0,1]=4 440 B11R0.111 CNC(=O)CCCSCC(=O)[O-] 62a_100020667443_100000741757 [0,1,0,0,0,0|2,0,1]=4 441 B11R0.111 CNC(=O)CCNCCC(=O)N 2230a_100000738227_100000744528 [0,1,0,0,0,0|3,0,0]=4 442 B11R0.111 CNC(=O)CCNCCC(=O)N 34a_100000738227_100000731001 [0,1,0,0,0,0|3,0,0]=4 443 B11R0.111 CNC(=O)CCNOCC(=O)O 269956a_100000106656_100000737683 [0,1,0,0,0,0|3,0,0]=4 444 B11R0.111 CNC(=O)CCOCCC(=O)C 34a_100000759926_100012179268 [0,1,0,0,0,0|3,0,0]=4 445 B11R0.111 CNC(=O)CCOCCC(=O)C 7a_100000759926_100000737683 [0,1,0,0,0,0|3,0,0]=4 446 B11R0.111 CNC(=O)CCOCCC(=O)N 34a_100000754576_100000731001 [0,1,0,0,0,0|3,0,0]=4 447 B11R0.111 CNC(=O)CCOCCC(=O)N 34a_100000757172_100012179268 [0,1,0,0,0,0|3,0,0]=4 448 B11R0.111 CNC(=O)CCOCCC(=O)N 7a_100000757172_100000737683 [0,1,0,0,0,0|3,0,0]=4 449 B11R0.111 CNC(=O)CCSCCC(=O)C 62a_100000053229_100000737683 [0,1,0,0,0,0|3,0,0]=4 450 B11R0.111 CNC(=O)CCSCCC(=O)C 62a_100000737683_100000053229 [0,1,0,0,0,0|3,0,0]=4 451 B11R0.111 CNC(=O)CCSCCC(=O)N 62a_100000737683_100000744528 [0,1,0,0,0,0|3,0,0]=4 452 B11R0.111 CNC(=O)CCSCCC(=O)N 62a_100000744528_100000737683 [0,1,0,0,0,0|3,0,0]=4 453 B11R0.111 CNC(=O)CNCCCC(=O)N 34a_100000739312_100000183359 [0,1,0,0,0,0|3,0,0]=4 454 B11R0.111 CNC(=O)COCCCC(=O)C 34a_100000750040_100000685027 [0,1,0,0,0,0|3,0,0]=4 455 B11R0.111 CNC(=O)COCCCC(=O)C 34a_100000759063_100000183359 [0,1,0,0,0,0|3,0,0]=4 456 B11R0.111 CNC(=O)COCCCC(=O)C 7a_100000759063_100000183359 [0,1,0,0,0,0|3,0,0]=4 457 B11R0.111 CNC(=O)COCCCC(=O)N 34a_100000750040_100102525003 [0,1,0,0,0,0|3,0,0]=4 458 B11R0.111 CNC(=O)CSCCCC(=O)C 62a_100000183359_100011215641 [0,1,0,0,0,0|3,0,0]=4 459 B11R0.111 CNC(=O)CSCCCC(=O)C 62a_100011215641_100000183359 [0,1,0,0,0,0|3,0,0]=4 460 B11R0.111 CNC(=O)CSCCCC(=O)N 62a_100000183359_100102525003 [0,1,0,0,0,0|3,0,0]=4 461 B11R0.111 CNC(=O)CSCCCC(=O)N 62a_100102525003_100000183359 [0,1,0,0,0,0|3,0,0]=4 462 B11R0.111 CNC(=O)NCCCCC(=O)N 273464a_100000696515_100102657272 [0,1,0,0,0,0|3,0,0]=4 463 B11R0.111 CNC(=O)NCCCCC(=O)N 273464a_100102657272_100000696515 [0,1,0,0,0,0|3,0,0]=4 464 B11R0.111 CNC(=O)NCCCCC(=O)N 512a_100000696515_100102657272 [0,1,0,0,0,0|3,0,0]=4 465 B11R0.111 CNC(=O)NCCCCC(=O)N 512a_106832991638_100000696515 [0,1,0,0,0,0|3,0,0]=4 466 B11R0.111 COC(=O)CCCCCC(=O)C 1458a_100000070787_100009816466 [0,1,0,0,0,0|1,0,0]=2 467 B11R0.111 COC(=O)CCCCCC(=O)C 1458a_100009848860_200000210301 [0,1,0,0,0,0|1,0,0]=2 468 B11R0.111 COC(=O)CCCCCC(=O)[13CH3] 1458a_100009848860_200025704644 [0,1,0,0,0,0|1,0,0]=2 469 B11R0.111 COC(=O)CCCCCN(C)C 2230a_100102631434_100009816466 [0,1,0,0,0,0|3,0,0]=4 470 B11R0.111 COC(=O)CCCCCN(C)C 269982a_100102631434_100009816466 [0,1,0,0,0,0|3,0,0]=4 471 B11R0.111 COC(=O)CCCCNC(=O)C 188690a_100000746077_100015343762 [0,1,0,0,0,0|2,0,0]=3 472 B11R0.111 COC(=O)CCCNCC(=O)N 2230a_100000711301_100011218270 [0,1,0,0,0,0|2,0,0]=3 473 B11R0.111 COC(=O)CCCNCC(=O)O 269956a_100016091260_100011218270 [0,1,0,0,0,0|1,0,0]=2 474 B11R0.111 COC(=O)CCCNCC(C)O 2230a_100000210904_100011218270 [0,1,0,0,0,0|2,0,1]=4 475 B11R0.111 COC(=O)CCCNCC(C)O 34a_100000210904_100000742333 [0,1,0,0,0,0|2,0,1]=4 476 B11R0.111 COC(=O)CCCOCC(=O)C 34a_100000211253_100000742333 [0,1,0,0,0,0|2,0,0]=3 477 B11R0.111 COC(=O)CCCSCC(=O)N 62a_100000747473_100011218270 [0,1,0,0,0,0|2,0,0]=3 478 B11R0.111 COC(=O)CCCSCC(=O)N 62a_100011218270_100000747473 [0,1,0,0,0,0|2,0,0]=3 479 B11R0.111 COC(=O)CCCSCC(=O)[O-] 62a_100011218270_100020667443 [0,1,0,0,0,0|1,0,1]=3 480 B11R0.111 COC(=O)CCCSCC(=O)[O-] 62a_100020667443_100011218270 [0,1,0,0,0,0|1,0,1]=3 481 B11R0.111 COC(=O)CCCSCC(C)O 62a_100011218270_100011218427 [0,1,0,0,0,0|2,0,1]=4 482 B11R0.111 COC(=O)CCCSCC(C)O 62a_100011218427_100011218270 [0,1,0,0,0,0|2,0,1]=4 483 B11R0.111 COC(=O)CCCSC[C@@H](C)O 62a_100009817552_100011218270 [0,1,0,0,0,0|2,0,1]=4 484 B11R0.111 COC(=O)CCCSC[C@@H](C)O 62a_100011218270_100009817552 [0,1,0,0,0,0|2,0,1]=4 485 B11R0.111 COC(=O)CCCSC[N+](=O)[O-] 62a_100011218270_100000761209 [0,1,0,0,0,0|2,0,1]=4 486 B11R0.111 COC(=O)CCNCCC(C)O 2230a_200000755665_100000204255 [0,1,0,0,0,0|2,0,1]=4 487 B11R0.111 COC(=O)CCNOCC(=O)O 269956a_100000106656_100000204255 [0,1,0,0,0,0|2,0,0]=3 488 B11R0.111 COC(=O)CCOCCC(=O)C 34a_100000759926_100000742370 [0,1,0,0,0,0|2,0,0]=3 489 B11R0.111 COC(=O)CCOCCC(=O)C 7a_100000759926_100000204255 [0,1,0,0,0,0|2,0,0]=3 490 B11R0.111 COC(=O)CCOCCC(=O)N 34a_100000757172_100000742370 [0,1,0,0,0,0|2,0,0]=3 491 B11R0.111 COC(=O)CCOCCC(=O)N 7a_100000757172_100000204255 [0,1,0,0,0,0|2,0,0]=3 492 B11R0.111 COC(=O)CCSCCC(=O)C 62a_100000053229_100000204255 [0,1,0,0,0,0|2,0,0]=3 493 B11R0.111 COC(=O)CCSCCC(=O)C 62a_100000204255_100000053229 [0,1,0,0,0,0|2,0,0]=3 494 B11R0.111 COC(=O)CCSCCC(=O)N 62a_100000204255_100000744528 [0,1,0,0,0,0|2,0,0]=3 495 B11R0.111 COC(=O)CCSCCC(=O)N 62a_100000744528_100000204255 [0,1,0,0,0,0|2,0,0]=3 496 B11R0.111 COC(=O)CCSCCC(C)O 62a_100000204255_100012276601 [0,1,0,0,0,0|2,0,1]=4 497 B11R0.111 COC(=O)CCSCCC(C)O 62a_100012276601_100000204255 [0,1,0,0,0,0|2,0,1]=4 498 B11R0.111 COC(=O)CCSCOC(=O)C 62a_100000076356_100000204255 [0,1,0,0,0,0|3,0,0]=4 499 B11R0.111 COC(=O)CCSCOC(=O)C 62a_100000204255_100000076356 [0,1,0,0,0,0|3,0,0]=4 500 B11R0.111 COC(=O)CNCCCC(=O)N 34a_100000739312_100000747449 [0,1,0,0,0,0|2,0,0]=3 501 B11R0.111 COC(=O)CNCCCS(=O)C 2230a_200000753449_100000747449 [0,1,0,0,0,0|3,0,0]=4 502 B11R0.111 COC(=O)CNCCNC(=O)C 2230a_100000209853_100000747449 [0,1,0,0,0,0|3,0,0]=4 503 B11R0.111 COC(=O)CNCCNC(=O)N 34a_100020590234_100000747449 [0,1,0,0,0,0|3,0,0]=4 504 B11R0.111 COC(=O)COCCCC(=O)C 34a_100000759063_100000747449 [0,1,0,0,0,0|2,0,0]=3 505 B11R0.111 COC(=O)COCCCC(=O)C 7a_100000759063_100000747449 [0,1,0,0,0,0|2,0,0]=3 506 B11R0.111 COC(=O)COCCC[N+](=O)[O-] 34a_200000037920_100000747449 [0,1,0,0,0,0|2,0,1]=4 507 B11R0.111 COC(=O)COCCNC(=O)C 34a_100000158858_100000747449 [0,1,0,0,0,0|3,0,0]=4 508 B11R0.111 COC(=O)COCCNC(=O)N 34a_100000181757_100000747449 [0,1,0,0,0,0|3,0,0]=4 509 B11R0.111 COC(=O)COCCOC(=O)N 7a_100000766696_100000747449 [0,1,0,0,0,0|3,0,0]=4 510 B11R0.111 COC(=O)CSCCCC(=O)C 62a_100000747449_100011215641 [0,1,0,0,0,0|2,0,0]=3 511 B11R0.111 COC(=O)CSCCCC(=O)C 62a_100011215641_100000747449 [0,1,0,0,0,0|2,0,0]=3 512 B11R0.111 COC(=O)CSCCCC(=O)N 62a_100000747449_100102525003 [0,1,0,0,0,0|2,0,0]=3 513 B11R0.111 COC(=O)CSCCCC(=O)N 62a_100102525003_100000747449 [0,1,0,0,0,0|2,0,0]=3 514 B11R0.111 COC(=O)CSCCCC(C)O 62a_100000747449_200000718107 [0,1,0,0,0,0|2,0,1]=4 515 B11R0.111 COC(=O)CSCCCC(C)O 62a_200000718107_100000747449 [0,1,0,0,0,0|2,0,1]=4 516 B11R0.111 COC(=O)CSCCNC(=O)C 62a_100000189650_100000747449 [0,1,0,0,0,0|3,0,0]=4 517 B11R0.111 COC(=O)CSCCNC(=O)C 62a_100000747449_100000189650 [0,1,0,0,0,0|3,0,0]=4 518 B11R0.111 COC(=O)CSCCNC(=O)N 62a_100000747449_200000034859 [0,1,0,0,0,0|3,0,0]=4 519 B11R0.111 COC(=O)CSCCNC(=O)N 62a_200000034859_100000747449 [0,1,0,0,0,0|3,0,0]=4 520 B11R0.111 COC(=O)CSCCOC(=O)C 62a_100000747449_100009814007 [0,1,0,0,0,0|3,0,0]=4 521 B11R0.111 COC(=O)CSCCOC(=O)C 62a_100009814007_100000747449 [0,1,0,0,0,0|3,0,0]=4 522 B11R0.111 COC(=O)CSCCOC(=O)N 62a_100000747449_200011214921 [0,1,0,0,0,0|3,0,0]=4 523 B11R0.111 COC(=O)CSCCOC(=O)N 62a_200011214921_100000747449 [0,1,0,0,0,0|3,0,0]=4 524 B11R0.111 COC(=O)NCCOCC(=O)N 34a_100000757965_100000187820 [0,1,0,0,0,0|3,0,0]=4 525 B11R0.111 COC(=O)NCCOCC(=O)[O-] 34a_100000757965_100020667443 [0,1,0,0,0,0|2,0,1]=4 526 B11R0.111 COC(=O)OCCOCC(=O)N 34a_100010262106_100000187820 [0,1,0,0,0,0|3,0,0]=4 527 B11R0.111 COC(=O)OCCOCC(=O)[O-] 34a_100010262106_100020667443 [0,1,0,0,0,0|2,0,1]=4 528 B11R0.111 COC(=O)OCSCCC(=O)C 62a_100000053229_100000139417 [0,1,0,0,0,0|3,0,0]=4 529 B11R0.111 COC(=O)OCSCCC(=O)N 62a_100000744528_100000139417 [0,1,0,0,0,0|3,0,0]=4 530 B11R0.111 NC(=O)CCCCCC(=O)CO 1458a_100000210174_100009817443 [0,1,0,0,0,0|1,0,0]=2 531 B11R0.111 NC(=O)CCCCNC(=O)CO 240690a_100000696515_100000210174 [0,1,0,0,0,0|2,0,0]=3 532 B11R0.111 NC(=O)CCCCNC(=O)CO 527a_100000696515_100000210174 [0,1,0,0,0,0|2,0,0]=3 533 B11R0.111 NC(=O)CCOCCC(=NO)N 34a_100000749954_100000731001 [0,1,0,0,0,0|3,0,0]=4 534 B11R0.111 NNC(=O)CCCOCC(=O)N 34a_100000211488_100000187820 [0,1,0,0,0,0|3,0,0]=4 535 B11R0.111 NNC(=O)CCCOCC(=O)[O-] 34a_100000211488_100020667443 [0,1,0,0,0,0|2,0,1]=4 536 B11R0.111 O=C(CF)CCCCC[N+](=O)[O-] 1458a_100000043470_100015361967 [0,1,0,0,0,0|2,0,1]=4 537 B11R0.111 O=C(CO)CCCCCB(O)O 1458a_100000210174_200009817188 [0,1,0,0,0,0|1,0,1]=3 538 B11R0.111 O=C(CO)CCCCO[N+](=O)[O-] 1458a_100000210174_100015694321 [0,1,0,0,0,0|2,0,1]=4 539 B11R1.75 CC(=O)CCC1COS(=O)O1 1458a_100000070787_100009840081 [0,0,0,1,0,0|3,0,0]=4 540 B11R1.75 CC(=O)COC1COC(=O)O1 34a_100000211253_100000032252 [0,0,0,1,0,0|3,0,0]=4 541 B11R1.75 CC(=O)NC[C@H]1CCC(=O)N1 11a_100015423886_100015343762 [0,0,0,1,0,0|3,0,0]=4 542 B11R1.75 CC(=O)NC[C@H]1CCC(=O)N1 1626a_100015423886_100015343762 [0,0,0,1,0,0|3,0,0]=4 543 B11R1.75 CC(=O)NC[C@H]1CCC(=O)N1 240690a_100015423886_100015343762 [0,0,0,1,0,0|3,0,0]=4 544 B11R1.75 CC(=O)NC[C@H]1CCC(=O)N1 527a_100015423886_100103153847 [0,0,0,1,0,0|3,0,0]=4 545 B11R1.75 NC(=O)COC1CCC(=O)C1 34a_100012614533_100000187820 [0,0,0,1,0,0|3,0,0]=4 546 B11R1.75 NC(=O)CSC1COC(=O)O1 62a_100000747473_100000032252 [0,0,0,1,0,0|3,0,0]=4 547 B11R1.75 O=C([O-])COC1CCC(=O)C1 34a_100012614533_100020667443 [0,0,0,1,0,0|2,0,1]=4 548 B11R1.75 O=C([O-])CSC1COC(=O)O1 62a_100020667443_100000032252 [0,0,0,1,0,0|2,0,1]=4 549 B11R1.154 CC(=O)CCSC1CC(=O)C1 62a_100009894365_100000053229 [0,0,0,1,0,0|3,0,0]=4 550 B11R1.154 NC(=O)CCSC1CC(=O)C1 62a_100009894365_100000744528 [0,0,0,1,0,0|3,0,0]=4 551 B11R1.154 NC(=O)CNCC1CC(=O)C1 2230a_100000711301_100009874392 [0,0,0,1,0,0|3,0,0]=4 552 B11R1.154 NC(=O)COCC1CC(=O)C1 34a_100000101936_100000187820 [0,0,0,1,0,0|3,0,0]=4 553 B11R1.154 NC(=O)CSCC1CC(=O)C1 62a_100000747473_100009874392 [0,0,0,1,0,0|3,0,0]=4 554 B11R1.154 NC(=O)CSCC1CC(=O)C1 62a_100009874392_100000747473 [0,0,0,1,0,0|3,0,0]=4 555 B11R1.154 O=C(O)CNCC1CC(=O)C1 269956a_100016091260_100009874392 [0,0,0,1,0,0|2,0,0]=3 556 B11R1.154 O=C(O)CONC1CC(=O)C1 269956a_100000106656_100009894365 [0,0,0,1,0,0|3,0,0]=4 557 B11R1.154 O=C([O-])COCC1CC(=O)C1 34a_100000101936_100020667443 [0,0,0,1,0,0|2,0,1]=4 558 B11R1.154 O=C([O-])CSCC1CC(=O)C1 62a_100009874392_100020667443 [0,0,0,1,0,0|2,0,1]=4 559 B11R1.154 O=C([O-])CSCC1CC(=O)C1 62a_100020667443_100009874392 [0,0,0,1,0,0|2,0,1]=4 560 B11R1.157 CN1CCCC(C1)CC(=O)O 269956a_100015207179_200000210301 [0,0,0,1,0,0|3,0,0]=4 561 B11R1.157 [13CH3]N1CCCC(C1)CC(=O)O 269956a_100015207179_200025704644 [0,0,0,1,0,0|3,0,0]=4 562 B11R1.176 O=C(O)CNCCCC1CO1 269956a_100016091260_100000733510 [0,0,0,1,0,0|2,0,1]=4 563 B11R1.178 CC(=O)C1CCCN1C(=O)N 1458a_200000183025_200000210301 [0,0,0,1,0,0|3,0,0]=4 564 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)N 11a_100000003125_100015343762 [0,0,0,1,0,0|3,0,0]=4 565 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)N 240690a_100000003125_100015343762 [0,0,0,1,0,0|3,0,0]=4 566 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)N 527a_100000003125_100103153847 [0,0,0,1,0,0|3,0,0]=4 567 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)[13CH3] 1458a_100011416801_200025704644 [0,0,0,1,0,0|3,0,0]=4 568 B11R1.178 CC(=O)[C@@H]1CCCN1C(=O)C 1458a_100011416801_200000210301 [0,0,0,1,0,0|3,0,0]=4 569 B11R1.178 [13CH3]C(=O)C1CCCN1C(=O)N 1458a_200000183025_200025704644 [0,0,0,1,0,0|3,0,0]=4 570 B11R1.708 C=C(C)CN1CCC1C(=O)O 269956a_100000021838_100000748629 [0,0,0,1,0,0|3,0,0]=4 571 B11R1.708 C=C(F)CN1CCC1C(=O)O 269956a_100000021838_100000042424 [0,0,0,1,0,0|3,0,0]=4 572 B11R1.708 CC(O)CN1CCC1C(=O)O 269956a_100000021838_100011218427 [0,0,0,1,0,0|2,0,1]=4 573 B11R1.708 C[C@@H](O)CN1CCC1C(=O)O 269956a_100000021838_100009817552 [0,0,0,1,0,0|2,0,1]=4 574 B11R1.708 NC(=O)CN1CCC1C(=O)O 269956a_100000021838_100000187820 [0,0,0,1,0,0|2,0,0]=3 575 B11R1.708 O=C(O)C1CCN1C[N+](=O)[O-] 269956a_100000021838_100000761209 [0,0,0,1,0,0|2,0,1]=4 576 B11R1.708 O=C([O-])CN1CCC1C(=O)O 269956a_100000021838_100020667443 [0,0,0,1,0,0|1,0,1]=3 577 B9R0.55 C=C(C)CCNCC(=O)O 269956a_100016091260_100000730704 [0,0,0,0,1,0|3,0,0]=4 578 B9R0.55 CC(=O)CCCCB(O)O 1458a_100000070787_200009817182 [0,0,0,0,1,0|2,0,1]=4 579 B9R0.55 CC(=O)CCCCC(=O)C 1458a_100000070787_100000735457 [0,0,0,0,1,0|2,0,0]=3 580 B9R0.55 CC(=O)CCCNC(=O)C 1458a_100000194741_200000210301 [0,0,0,0,1,0|3,0,0]=4 581 B9R0.55 CC(=O)CCCOC(=O)C 1458a_100000070787_100000042594 [0,0,0,0,1,0|3,0,0]=4 582 B9R0.55 CC(=O)CCCSC(=O)C 1458a_100000070787_100000038929 [0,0,0,0,1,0|3,0,0]=4 583 B9R0.55 CC(=O)CCNCC(=O)O 269956a_100016091260_100000053229 [0,0,0,0,1,0|2,0,0]=3 584 B9R0.55 CC(=O)CCOCC(=O)N 1458a_100000070787_100000076697 [0,0,0,0,1,0|3,0,0]=4 585 B9R0.55 CC(=O)CCOCC(=O)N 34a_100000759926_100000187820 [0,0,0,0,1,0|3,0,0]=4 586 B9R0.55 CC(=O)CCOCC(=O)N 7a_100000759926_100000187820 [0,0,0,0,1,0|3,0,0]=4 587 B9R0.55 CC(=O)CCOCC(=O)[O-] 34a_100000759926_100020667443 [0,0,0,0,1,0|2,0,1]=4 588 B9R0.55 CC(=O)CCSCC(=O)N 1458a_100000148550_200000210301 [0,0,0,0,1,0|3,0,0]=4 589 B9R0.55 CC(=O)CCSCC(=O)N 62a_100000053229_100000747473 [0,0,0,0,1,0|3,0,0]=4 590 B9R0.55 CC(=O)CCSCC(=O)N 62a_100000747473_100000053229 [0,0,0,0,1,0|3,0,0]=4 591 B9R0.55 CC(=O)CCSCC(=O)[O-] 62a_100000053229_100020667443 [0,0,0,0,1,0|2,0,1]=4 592 B9R0.55 CC(=O)CCSCC(=O)[O-] 62a_100020667443_100000053229 [0,0,0,0,1,0|2,0,1]=4 593 B9R0.55 CC(=O)COCCC(=O)N 34a_100000211253_100000731001 [0,0,0,0,1,0|3,0,0]=4 594 B9R0.55 CC(=O)NCCCC(=O)N 240690a_100000739312_100015343762 [0,0,0,0,1,0|3,0,0]=4 595 B9R0.55 CC(=O)NCCCC(=O)N 527a_100000739312_100103153847 [0,0,0,0,1,0|3,0,0]=4 596 B9R0.55 CC(=O)NCCCC(=O)[13CH3] 1458a_100000194741_200025704644 [0,0,0,0,1,0|3,0,0]=4 597 B9R0.55 CC(=O)OCNCC(=O)O 269956a_100016091260_100000076356 [0,0,0,0,1,0|3,0,0]=4 598 B9R0.55 CC(O)CCNCC(=O)O 269956a_100016091260_100012276601 [0,0,0,0,1,0|2,0,1]=4 599 B9R0.55 NC(=O)CCNCC(=O)N 2230a_100000711301_100000744528 [0,0,0,0,1,0|3,0,0]=4 600 B9R0.55 NC(=O)CCNCC(=O)O 269956a_100016091260_100000744528 [0,0,0,0,1,0|2,0,0]=3 601 B9R0.55 NC(=O)CCOCC(=O)N 34a_100000757172_100000187820 [0,0,0,0,1,0|3,0,0]=4 602 B9R0.55 NC(=O)CCOCC(=O)N 7a_100000757172_100000187820 [0,0,0,0,1,0|3,0,0]=4 603 B9R0.55 NC(=O)CCOCC(=O)[O-] 34a_100000757172_100020667443 [0,0,0,0,1,0|2,0,1]=4 604 B9R0.55 NC(=O)CCSCC(=O)N 62a_100000744528_100000747473 [0,0,0,0,1,0|3,0,0]=4 605 B9R0.55 NC(=O)CCSCC(=O)N 62a_100000747473_100000744528 [0,0,0,0,1,0|3,0,0]=4 606 B9R0.55 NC(=O)CCSCC(=O)[O-] 62a_100000744528_100020667443 [0,0,0,0,1,0|2,0,1]=4 607 B9R0.55 NC(=O)CCSCC(=O)[O-] 62a_100020667443_100000744528 [0,0,0,0,1,0|2,0,1]=4 608 B9R0.55 NC(=O)CNOCC(=O)O 269956a_100000106656_100000187820 [0,0,0,0,1,0|3,0,0]=4 609 B9R0.55 O=C([O-])CNOCC(=O)O 269956a_100000106656_100020667443 [0,0,0,0,1,0|2,0,1]=4 610 B9R0.55 [13CH3]C(=O)CCSCC(=O)N 1458a_100000148550_200025704644 [0,0,0,0,1,0|3,0,0]=4 611 B11R0.30 C=C(Br)CCOCCCC(=O)C 34a_100009813270_100000685027 [0,0,0,0,0,1|3,0,0]=4 612 B11R0.30 C=C(Br)CCOCCCC(=O)N 34a_100009813270_100102525003 [0,0,0,0,0,1|3,0,0]=4 613 B11R0.30 C=C(C)CCNCCCC(=O)N 34a_100000739312_100000730704 [0,0,0,0,0,1|3,0,0]=4 614 B11R0.30 C=C(C)CCOCCCC(=O)C 34a_100000759063_100000730704 [0,0,0,0,0,1|3,0,0]=4 615 B11R0.30 C=C(C)CCOCCCC(=O)C 34a_100000764851_100000685027 [0,0,0,0,0,1|3,0,0]=4 616 B11R0.30 C=C(C)CCOCCCC(=O)C 7a_100000759063_100000730704 [0,0,0,0,0,1|3,0,0]=4 617 B11R0.30 C=C(C)CCOCCCC(=O)N 34a_100000764851_100102525003 [0,0,0,0,0,1|3,0,0]=4 618 B11R0.30 C=C(C)CCSCCCC(=O)C 62a_100000730704_100011215641 [0,0,0,0,0,1|3,0,0]=4 619 B11R0.30 C=C(C)CCSCCCC(=O)C 62a_100011215641_100000730704 [0,0,0,0,0,1|3,0,0]=4 620 B11R0.30 C=C(C)CCSCCCC(=O)N 62a_100000730704_100102525003 [0,0,0,0,0,1|3,0,0]=4 621 B11R0.30 C=C(C)CCSCCCC(=O)N 62a_100102525003_100000730704 [0,0,0,0,0,1|3,0,0]=4 622 B11R0.30 C=C(C)CNCCCCC(=O)N 34a_100000696515_100000748629 [0,0,0,0,0,1|3,0,0]=4 623 B11R0.30 C=C(C)CNCCOCC(=O)O 269956a_100000700818_100000748629 [0,0,0,0,0,1|3,0,0]=4 624 B11R0.30 C=C(C)COCCCCC(=O)C 34a_100000210245_100009817362 [0,0,0,0,0,1|3,0,0]=4 625 B11R0.30 C=C(C)COCCCCC(=O)N 34a_100012022536_100000748629 [0,0,0,0,0,1|3,0,0]=4 626 B11R0.30 C=C(C)COCCCCC(=O)N 7a_100012022536_100000748629 [0,0,0,0,0,1|3,0,0]=4 627 B11R0.30 C=C(C)CSCCCCC(=O)C 62a_100000735457_100000211660 [0,0,0,0,0,1|3,0,0]=4 628 B11R0.30 C=C(C)CSCCCCC(=O)C 62a_100000748629_100000735457 [0,0,0,0,0,1|3,0,0]=4 629 B11R0.30 C=C(F)CNCCCCC(=O)N 34a_100000696515_100009893438 [0,0,0,0,0,1|3,0,0]=4 630 B11R0.30 C=C(F)CNCCOCC(=O)O 269956a_100000700818_100000042424 [0,0,0,0,0,1|3,0,0]=4 631 B11R0.30 C=C(F)COCCCCC(=O)C 34a_200010262243_100009817362 [0,0,0,0,0,1|3,0,0]=4 632 B11R0.30 C=C(F)COCCCCC(=O)N 34a_100012022536_100009893438 [0,0,0,0,0,1|3,0,0]=4 633 B11R0.30 C=C(F)COCCCCC(=O)N 7a_100012022536_100000042424 [0,0,0,0,0,1|3,0,0]=4 634 B11R0.30 C=C(F)CSCCCCC(=O)C 62a_100000042424_100000735457 [0,0,0,0,0,1|3,0,0]=4 635 B11R0.30 C=C(F)CSCCCCC(=O)C 62a_100000735457_100000042424 [0,0,0,0,0,1|3,0,0]=4 636 B11R0.30 CC(=O)CCCCCCB(O)O 1458a_100000070787_100009817187 [0,0,0,0,0,1|2,0,1]=4 637 B11R0.30 CC(=O)CCCCCNC(=O)C 1458a_100000183861_200000210301 [0,0,0,0,0,1|2,0,0]=3 638 B11R0.30 CC(=O)CCCCCOC(=O)C 1458a_100000070787_100000033007 [0,0,0,0,0,1|2,0,0]=3 639 B11R0.30 CC(=O)CCCCNCC(=O)O 269956a_100016091260_100000735457 [0,0,0,0,0,1|1,0,0]=2 640 B11R0.30 CC(=O)CCCCNCC(C)O 34a_100000210904_100009817362 [0,0,0,0,0,1|2,0,1]=4 641 B11R0.30 CC(=O)CCCCOCC(=O)C 34a_100000211253_100009817362 [0,0,0,0,0,1|2,0,0]=3 642 B11R0.30 CC(=O)CCCCSCC(=O)N 62a_100000735457_100000747473 [0,0,0,0,0,1|2,0,0]=3 643 B11R0.30 CC(=O)CCCCSCC(=O)N 62a_100000747473_100000735457 [0,0,0,0,0,1|2,0,0]=3 644 B11R0.30 CC(=O)CCCCSCC(=O)[O-] 62a_100000735457_100020667443 [0,0,0,0,0,1|1,0,1]=3 645 B11R0.30 CC(=O)CCCCSCC(=O)[O-] 62a_100020667443_100000735457 [0,0,0,0,0,1|1,0,1]=3 646 B11R0.30 CC(=O)CCCCSCC(C)O 62a_100000735457_100011218427 [0,0,0,0,0,1|2,0,1]=4 647 B11R0.30 CC(=O)CCCCSCC(C)O 62a_100011218427_100000735457 [0,0,0,0,0,1|2,0,1]=4 648 B11R0.30 CC(=O)CCCCSC[C@@H](C)O 62a_100000735457_100009817552 [0,0,0,0,0,1|2,0,1]=4 649 B11R0.30 CC(=O)CCCCSC[C@@H](C)O 62a_100009817552_100000735457 [0,0,0,0,0,1|2,0,1]=4 650 B11R0.30 CC(=O)CCCCSC[N+](=O)[O-] 62a_100000735457_100000761209 [0,0,0,0,0,1|2,0,1]=4 651 B11R0.30 CC(=O)CCCNOCC(=O)O 269956a_100000106656_100011215641 [0,0,0,0,0,1|2,0,0]=3 652 B11R0.30 CC(=O)CCCOCCC(=O)C 34a_100000759926_100000685027 [0,0,0,0,0,1|2,0,0]=3 653 B11R0.30 CC(=O)CCCOCCC(=O)C 7a_100000759063_100000053229 [0,0,0,0,0,1|2,0,0]=3 654 B11R0.30 CC(=O)CCCOCCC(=O)C 7a_100000759926_100011215641 [0,0,0,0,0,1|2,0,0]=3 655 B11R0.30 CC(=O)CCCOCCC(=O)N 34a_100000757172_100000685027 [0,0,0,0,0,1|2,0,0]=3 656 B11R0.30 CC(=O)CCCOCCC(=O)N 34a_100000759063_100000731001 [0,0,0,0,0,1|2,0,0]=3 657 B11R0.30 CC(=O)CCCOCCC(=O)N 7a_100000757172_100011215641 [0,0,0,0,0,1|2,0,0]=3 658 B11R0.30 CC(=O)CCCOCCC(=O)N 7a_100000759063_100000744528 [0,0,0,0,0,1|2,0,0]=3 659 B11R0.30 CC(=O)CCCOCCC(C)O 34a_100000759063_100012276601 [0,0,0,0,0,1|2,0,1]=4 660 B11R0.30 CC(=O)CCCOCCC(C)O 7a_100000759063_100012276601 [0,0,0,0,0,1|2,0,1]=4 661 B11R0.30 CC(=O)CCCOCOC(=O)C 34a_100000759063_100009813279 [0,0,0,0,0,1|3,0,0]=4 662 B11R0.30 CC(=O)CCCSCCC(=O)C 62a_100000053229_100011215641 [0,0,0,0,0,1|2,0,0]=3 663 B11R0.30 CC(=O)CCCSCCC(=O)C 62a_100011215641_100000053229 [0,0,0,0,0,1|2,0,0]=3 664 B11R0.30 CC(=O)CCCSCCC(=O)N 62a_100000744528_100011215641 [0,0,0,0,0,1|2,0,0]=3 665 B11R0.30 CC(=O)CCCSCCC(=O)N 62a_100011215641_100000744528 [0,0,0,0,0,1|2,0,0]=3 666 B11R0.30 CC(=O)CCCSCCC(C)O 62a_100011215641_100012276601 [0,0,0,0,0,1|2,0,1]=4 667 B11R0.30 CC(=O)CCCSCCC(C)O 62a_100012276601_100011215641 [0,0,0,0,0,1|2,0,1]=4 668 B11R0.30 CC(=O)CCCSCOC(=O)C 62a_100000076356_100011215641 [0,0,0,0,0,1|3,0,0]=4 669 B11R0.30 CC(=O)CCCSCOC(=O)C 62a_100011215641_100000076356 [0,0,0,0,0,1|3,0,0]=4 670 B11R0.30 CC(=O)CCOCCCC(=O)N 34a_100000759926_100102525003 [0,0,0,0,0,1|2,0,0]=3 671 B11R0.30 CC(=O)CCOCCCC(=O)N 7a_100000759926_100102525003 [0,0,0,0,0,1|2,0,0]=3 672 B11R0.30 CC(=O)CCOCCCC(C)O 34a_100000759926_200000718107 [0,0,0,0,0,1|2,0,1]=4 673 B11R0.30 CC(=O)CCOCCCC(C)O 7a_100000759926_200000718107 [0,0,0,0,0,1|2,0,1]=4 674 B11R0.30 CC(=O)CCOCCNC(=O)C 7a_100000759926_100000189650 [0,0,0,0,0,1|3,0,0]=4 675 B11R0.30 CC(=O)CCOCCNC(=O)N 7a_100000759926_200000034859 [0,0,0,0,0,1|3,0,0]=4 676 B11R0.30 CC(=O)CCOCCOC(=O)C 1458a_100000070787_200000083610 [0,0,0,0,0,1|3,0,0]=4 677 B11R0.30 CC(=O)CCOCCOC(=O)C 34a_100000759926_100009814007 [0,0,0,0,0,1|3,0,0]=4 678 B11R0.30 CC(=O)CCOCCOC(=O)C 7a_100000759926_100009814007 [0,0,0,0,0,1|3,0,0]=4 679 B11R0.30 CC(=O)CCOCCOC(=O)N 34a_100000759926_200011214921 [0,0,0,0,0,1|3,0,0]=4 680 B11R0.30 CC(=O)CCOCCOC(=O)N 7a_100000759926_200011214921 [0,0,0,0,0,1|3,0,0]=4 681 B11R0.30 CC(=O)CCOCCOC(=O)N 7a_100000766696_100000053229 [0,0,0,0,0,1|3,0,0]=4 682 B11R0.30 CC(=O)CCSCCCC(=O)N 62a_100000053229_100102525003 [0,0,0,0,0,1|2,0,0]=3 683 B11R0.30 CC(=O)CCSCCCC(=O)N 62a_100102525003_100000053229 [0,0,0,0,0,1|2,0,0]=3 684 B11R0.30 CC(=O)CCSCCCC(C)O 62a_100000053229_200000718107 [0,0,0,0,0,1|2,0,1]=4 685 B11R0.30 CC(=O)CCSCCCC(C)O 62a_200000718107_100000053229 [0,0,0,0,0,1|2,0,1]=4 686 B11R0.30 CC(=O)CCSCCNC(=O)C 62a_100000053229_100000189650 [0,0,0,0,0,1|3,0,0]=4 687 B11R0.30 CC(=O)CCSCCNC(=O)C 62a_100000189650_100000053229 [0,0,0,0,0,1|3,0,0]=4 688 B11R0.30 CC(=O)CCSCCNC(=O)N 62a_100000053229_200000034859 [0,0,0,0,0,1|3,0,0]=4 689 B11R0.30 CC(=O)CCSCCNC(=O)N 62a_200000034859_100000053229 [0,0,0,0,0,1|3,0,0]=4 690 B11R0.30 CC(=O)CCSCCOC(=O)C 62a_100000053229_100009814007 [0,0,0,0,0,1|3,0,0]=4 691 B11R0.30 CC(=O)CCSCCOC(=O)C 62a_100009814007_100000053229 [0,0,0,0,0,1|3,0,0]=4 692 B11R0.30 CC(=O)CCSCCOC(=O)N 62a_100000053229_200011214921 [0,0,0,0,0,1|3,0,0]=4 693 B11R0.30 CC(=O)CCSCCOC(=O)N 62a_200011214921_100000053229 [0,0,0,0,0,1|3,0,0]=4 694 B11R0.30 CC(=O)COCCCCB(O)O 34a_100000211253_200009817182 [0,0,0,0,0,1|2,0,1]=4 695 B11R0.30 CC(=O)COCCCOC(=O)C 34a_100000211253_100000042594 [0,0,0,0,0,1|3,0,0]=4 696 B11R0.30 CC(=O)COCCCSC(=O)C 34a_100000211253_100000038929 [0,0,0,0,0,1|3,0,0]=4 697 B11R0.30 CC(=O)COCCOCC(=O)N 34a_100000211253_100000076697 [0,0,0,0,0,1|3,0,0]=4 698 B11R0.30 CC(=O)NCCCCCC(=O)[13CH3] 1458a_100000183861_200025704644 [0,0,0,0,0,1|2,0,0]=3 699 B11R0.30 CC(=O)NCCCCNC(=O)C 11a_200011368371_100015343762 [0,0,0,0,0,1|3,0,0]=4 700 B11R0.30 CC(=O)NCCCCNC(=O)C 1626a_200011368371_100015343762 [0,0,0,0,0,1|3,0,0]=4 701 B11R0.30 CC(=O)NCCCCNC(=O)C 240690a_200011368371_100015343762 [0,0,0,0,0,1|3,0,0]=4 702 B11R0.30 CC(=O)NCCCCNC(=O)C 527a_200011368371_100103153847 [0,0,0,0,0,1|3,0,0]=4 703 B11R0.30 CC(=O)NCCCNCC(=O)N 34a_100000736810_100000187820 [0,0,0,0,0,1|3,0,0]=4 704 B11R0.30 CC(=O)NCCCNCC(=O)[O-] 34a_100000736810_100020667443 [0,0,0,0,0,1|2,0,1]=4 705 B11R0.30 CC(=O)NCCCOCC(=O)N 34a_100000752032_100000187820 [0,0,0,0,0,1|3,0,0]=4 706 B11R0.30 CC(=O)NCCCOCC(=O)[O-] 34a_100000752032_100020667443 [0,0,0,0,0,1|2,0,1]=4 707 B11R0.30 CC(=O)NCCNCCC(=O)N 2230a_100000209853_100000744528 [0,0,0,0,0,1|3,0,0]=4 708 B11R0.30 CC(=O)NCCNOCC(=O)O 269956a_100000106656_100000189650 [0,0,0,0,0,1|3,0,0]=4 709 B11R0.30 CC(=O)NCCOCCC(=O)N 34a_100000158858_100000731001 [0,0,0,0,0,1|3,0,0]=4 710 B11R0.30 CC(=O)NCCOCCC(=O)N 7a_100000757172_100000189650 [0,0,0,0,0,1|3,0,0]=4 711 B11R0.30 CC(=O)NCCSCCC(=O)N 62a_100000189650_100000744528 [0,0,0,0,0,1|3,0,0]=4 712 B11R0.30 CC(=O)NCCSCCC(=O)N 62a_100000744528_100000189650 [0,0,0,0,0,1|3,0,0]=4 713 B11R0.30 CC(=O)OCCCNCC(=O)O 269956a_100016091260_100000042594 [0,0,0,0,0,1|2,0,0]=3 714 B11R0.30 CC(=O)OCCCSCC(=O)N 62a_100000042594_100000747473 [0,0,0,0,0,1|3,0,0]=4 715 B11R0.30 CC(=O)OCCCSCC(=O)N 62a_100000747473_100000042594 [0,0,0,0,0,1|3,0,0]=4 716 B11R0.30 CC(=O)OCCCSCC(=O)[O-] 62a_100000042594_100020667443 [0,0,0,0,0,1|2,0,1]=4 717 B11R0.30 CC(=O)OCCCSCC(=O)[O-] 62a_100020667443_100000042594 [0,0,0,0,0,1|2,0,1]=4 718 B11R0.30 CC(=O)OCCNOCC(=O)O 269956a_100000106656_100009814007 [0,0,0,0,0,1|3,0,0]=4 719 B11R0.30 CC(=O)OCCOCCC(=O)N 34a_100000757172_100009814007 [0,0,0,0,0,1|3,0,0]=4 720 B11R0.30 CC(=O)OCCOCCC(=O)N 7a_100000757172_100009814007 [0,0,0,0,0,1|3,0,0]=4 721 B11R0.30 CC(=O)OCCSCCC(=O)N 62a_100000744528_100009814007 [0,0,0,0,0,1|3,0,0]=4 722 B11R0.30 CC(=O)OCCSCCC(=O)N 62a_100009814007_100000744528 [0,0,0,0,0,1|3,0,0]=4 723 B11R0.30 CC(=O)OCNCCCC(=O)N 34a_100000739312_100009813279 [0,0,0,0,0,1|3,0,0]=4 724 B11R0.30 CC(=O)OCSCCCC(=O)N 62a_100000076356_100102525003 [0,0,0,0,0,1|3,0,0]=4 725 B11R0.30 CC(=O)OCSCCCC(=O)N 62a_100102525003_100000076356 [0,0,0,0,0,1|3,0,0]=4 726 B11R0.30 CC(=O)SCCCNCC(=O)N 2230a_100000711301_100000038929 [0,0,0,0,0,1|3,0,0]=4 727 B11R0.30 CC(=O)SCCCNCC(=O)O 269956a_100016091260_100000038929 [0,0,0,0,0,1|2,0,0]=3 728 B11R0.30 CC(=O)SCCCSCC(=O)N 62a_100000038929_100000747473 [0,0,0,0,0,1|3,0,0]=4 729 B11R0.30 CC(=O)SCCCSCC(=O)N 62a_100000747473_100000038929 [0,0,0,0,0,1|3,0,0]=4 730 B11R0.30 CC(=O)SCCCSCC(=O)[O-] 62a_100000038929_100020667443 [0,0,0,0,0,1|2,0,1]=4 731 B11R0.30 CC(=O)SCCCSCC(=O)[O-] 62a_100020667443_100000038929 [0,0,0,0,0,1|2,0,1]=4 732 B11R0.30 CC(=S)OCCCNCC(=O)O 269956a_100016091260_200135323944 [0,0,0,0,0,1|2,1,0]=4 733 B11R0.30 CC(C)CCCCNCC(=O)O 269956a_100016091260_100011216152 [0,0,0,0,0,1|2,0,1]=4 734 B11R0.30 CC(O)CCCNOCC(=O)O 269956a_100000106656_200000718107 [0,0,0,0,0,1|2,0,1]=4 735 B11R0.30 CC(O)CCCOCCC(=O)N 34a_100000757172_200000718107 [0,0,0,0,0,1|2,0,1]=4 736 B11R0.30 CC(O)CCCOCCC(=O)N 7a_100000757172_200000718107 [0,0,0,0,0,1|2,0,1]=4 737 B11R0.30 CC(O)CCCSCCC(=O)N 62a_100000744528_200000718107 [0,0,0,0,0,1|2,0,1]=4 738 B11R0.30 CC(O)CCCSCCC(=O)N 62a_200000718107_100000744528 [0,0,0,0,0,1|2,0,1]=4 739 B11R0.30 CC(O)CCNCCCC(=O)N 34a_100000739312_100012276601 [0,0,0,0,0,1|2,0,1]=4 740 B11R0.30 CC(O)CCSCCCC(=O)N 62a_100012276601_100102525003 [0,0,0,0,0,1|2,0,1]=4 741 B11R0.30 CC(O)CCSCCCC(=O)N 62a_100102525003_100012276601 [0,0,0,0,0,1|2,0,1]=4 742 B11R0.30 CC(O)CNCCCCC(=O)N 34a_100000696515_100011218427 [0,0,0,0,0,1|2,0,1]=4 743 B11R0.30 CC(O)CNCCOCC(=O)O 269956a_100000700818_100011218427 [0,0,0,0,0,1|2,0,1]=4 744 B11R0.30 CC(O)COCCCCC(=O)N 34a_100012022536_100011218427 [0,0,0,0,0,1|2,0,1]=4 745 B11R0.30 CC(O)COCCCCC(=O)N 7a_100012022536_100011218427 [0,0,0,0,0,1|2,0,1]=4 746 B11R0.30 CN(C)CCCCNCC(=O)O 269956a_100016091260_100000690147 [0,0,0,0,0,1|3,0,0]=4 747 B11R0.30 CS(=O)CCCNCCC(=O)N 2230a_200000753449_100000744528 [0,0,0,0,0,1|3,0,0]=4 748 B11R0.30 C[C@@H](O)CNCCCCC(=O)N 34a_100000696515_100009817552 [0,0,0,0,0,1|2,0,1]=4 749 B11R0.30 C[C@@H](O)CNCCOCC(=O)O 269956a_100000700818_100009817552 [0,0,0,0,0,1|2,0,1]=4 750 B11R0.30 C[C@@H](O)COCCCCC(=O)N 34a_100012022536_100009817552 [0,0,0,0,0,1|2,0,1]=4 751 B11R0.30 C[C@@H](O)COCCCCC(=O)N 7a_100012022536_100009817552 [0,0,0,0,0,1|2,0,1]=4 752 B11R0.30 NC(=O)CCCCNCC(=O)N 34a_100000696515_100000187820 [0,0,0,0,0,1|2,0,0]=3 753 B11R0.30 NC(=O)CCCCNCC(=O)[O-] 34a_100000696515_100020667443 [0,0,0,0,0,1|1,0,1]=3 754 B11R0.30 NC(=O)CCCCNC[N+](=O)[O-] 34a_100000696515_100000761209 [0,0,0,0,0,1|2,0,1]=4 755 B11R0.30 NC(=O)CCCCOCC(=O)N 34a_100012022536_100000187820 [0,0,0,0,0,1|2,0,0]=3 756 B11R0.30 NC(=O)CCCCOCC(=O)N 7a_100012022536_100000187820 [0,0,0,0,0,1|2,0,0]=3 757 B11R0.30 NC(=O)CCCCOCC(=O)[O-] 34a_100012022536_100020667443 [0,0,0,0,0,1|1,0,1]=3 758 B11R0.30 NC(=O)CCCCOC[N+](=O)[O-] 34a_100012022536_100000761209 [0,0,0,0,0,1|2,0,1]=4 759 B11R0.30 NC(=O)CCCNCCC(=O)N 34a_100000739312_100000731001 [0,0,0,0,0,1|2,0,0]=3 760 B11R0.30 NC(=O)CCCNOCC(=O)O 269956a_100000106656_100102525003 [0,0,0,0,0,1|2,0,0]=3 761 B11R0.30 NC(=O)CCCOCCC(=O)N 34a_100000757172_100102525003 [0,0,0,0,0,1|2,0,0]=3 762 B11R0.30 NC(=O)CCCOCCC(=O)N 7a_100000757172_100102525003 [0,0,0,0,0,1|2,0,0]=3 763 B11R0.30 NC(=O)CCCSCCC(=O)N 62a_100000744528_100102525003 [0,0,0,0,0,1|2,0,0]=3 764 B11R0.30 NC(=O)CCCSCCC(=O)N 62a_100102525003_100000744528 [0,0,0,0,0,1|2,0,0]=3 765 B11R0.30 NC(=O)CCNCCNC(=O)N 34a_100020590234_100000731001 [0,0,0,0,0,1|3,0,0]=4 766 B11R0.30 NC(=O)CCOCCC[N+](=O)[O-] 34a_200000037920_100000731001 [0,0,0,0,0,1|2,0,1]=4 767 B11R0.30 NC(=O)CCOCCNC(=O)N 34a_100000181757_100000731001 [0,0,0,0,0,1|3,0,0]=4 768 B11R0.30 NC(=O)CCOCCNC(=O)N 7a_100000757172_200000034859 [0,0,0,0,0,1|3,0,0]=4 769 B11R0.30 NC(=O)CCOCCOC(=O)N 34a_100000757172_200011214921 [0,0,0,0,0,1|3,0,0]=4 770 B11R0.30 NC(=O)CCOCCOC(=O)N 7a_100000757172_200011214921 [0,0,0,0,0,1|3,0,0]=4 771 B11R0.30 NC(=O)CCOCCOC(=O)N 7a_100000766696_100000744528 [0,0,0,0,0,1|3,0,0]=4 772 B11R0.30 NC(=O)CCSCCNC(=O)N 62a_100000744528_200000034859 [0,0,0,0,0,1|3,0,0]=4 773 B11R0.30 NC(=O)CCSCCNC(=O)N 62a_200000034859_100000744528 [0,0,0,0,0,1|3,0,0]=4 774 B11R0.30 NC(=O)CCSCCOC(=O)N 62a_100000744528_200011214921 [0,0,0,0,0,1|3,0,0]=4 775 B11R0.30 NC(=O)CCSCCOC(=O)N 62a_200011214921_100000744528 [0,0,0,0,0,1|3,0,0]=4 776 B11R0.30 NC(=O)CNCCCCB(O)O 2230a_100000711301_200009817182 [0,0,0,0,0,1|2,0,1]=4 777 B11R0.30 NC(=O)CNCCOCC(=O)N 2230a_100000711301_100000076697 [0,0,0,0,0,1|3,0,0]=4 778 B11R0.30 NC(=O)CNCCOCC(=O)O 269956a_100000700818_100000187820 [0,0,0,0,0,1|2,0,0]=3 779 B11R0.30 NC(=O)COCCCC[N+](=O)[O-] 34a_200015379883_100000187820 [0,0,0,0,0,1|2,0,1]=4 780 B11R0.30 NC(=O)COCCCC[N+](=O)[O-] 7a_200015379883_100000187820 [0,0,0,0,0,1|2,0,1]=4 781 B11R0.30 NC(=O)COCCNCC(=O)O 269956a_100016091260_100000076697 [0,0,0,0,0,1|2,0,0]=3 782 B11R0.30 NC(=O)COCCSCC(=O)N 62a_100000076697_100000747473 [0,0,0,0,0,1|3,0,0]=4 783 B11R0.30 NC(=O)COCCSCC(=O)N 62a_100000747473_100000076697 [0,0,0,0,0,1|3,0,0]=4 784 B11R0.30 NC(=O)COCCSCC(=O)[O-] 62a_100000076697_100020667443 [0,0,0,0,0,1|2,0,1]=4 785 B11R0.30 NC(=O)COCCSCC(=O)[O-] 62a_100020667443_100000076697 [0,0,0,0,0,1|2,0,1]=4 786 B11R0.30 NC(=O)CSCCCCB(O)O 62a_100000747473_200009817182 [0,0,0,0,0,1|2,0,1]=4 787 B11R0.30 NC(=O)CSCCCCB(O)O 62a_200009817182_100000747473 [0,0,0,0,0,1|2,0,1]=4 788 B11R0.30 NC(=O)NCCNOCC(=O)O 269956a_100000106656_200000034859 [0,0,0,0,0,1|3,0,0]=4 789 B11R0.30 O=C(O)CNCCCCB(O)O 269956a_100016091260_200009817182 [0,0,0,0,0,1|1,0,1]=3 790 B11R0.30 O=C(O)COCCNC[N+](=O)[O-] 269956a_100000700818_100000761209 [0,0,0,0,0,1|2,0,1]=4 791 B11R0.30 O=C([O-])CNCCOCC(=O)O 269956a_100000700818_100020667443 [0,0,0,0,0,1|1,0,1]=3 792 B11R0.30 O=C([O-])COCCCC[N+](=O)[O-] 34a_200015379883_100020667443 [0,0,0,0,0,1|1,0,2]=4 793 B11R0.30 O=C([O-])CSCCCCB(O)O 62a_100020667443_200009817182 [0,0,0,0,0,1|1,0,2]=4 794 B11R0.30 O=C([O-])CSCCCCB(O)O 62a_200009817182_100020667443 [0,0,0,0,0,1|1,0,2]=4 795 B8R0.4 C=CCCCNCC=O 2230a_100000700776_200015260668 [2,0,0,0,0,0|2,0,0]=4 796 B8R0.4 C=CCCCNCC=O 34a_100000700776_200009817547 [2,0,0,0,0,0|2,0,0]=4 797 B8R0.4 C=CCCCOCC=O 34a_100000758997_200009817547 [2,0,0,0,0,0|2,0,0]=4 798 B8R0.4 C=CCCCOCC=O 7a_100000758997_200015260668 [2,0,0,0,0,0|2,0,0]=4 799 B8R0.4 C=CCCCSCC=O 62a_100011713584_200015260668 [2,0,0,0,0,0|2,0,0]=4 800 B8R0.4 C=CCCCSCC=O 62a_200015260668_100000757094 [2,0,0,0,0,0|2,0,0]=4 801 B8R0.4 C=CCNCCCC=O 2230a_100020586998_200011292268 [2,0,0,0,0,0|2,0,0]=4 802 B8R0.4 C=CCSCCCC=O 62a_100000210623_200011292268 [2,0,0,0,0,0|2,0,0]=4 803 B8R0.4 C=CCSCCCC=O 62a_200011292268_100000210623 [2,0,0,0,0,0|2,0,0]=4 804 B8R0.4 CNCCCCCC=O 2230a_106832991635_100000139337 [2,0,0,0,0,0|2,0,0]=4 805 B8R0.4 CNCCCCCC=O 7a_106832991635_100000139337 [2,0,0,0,0,0|2,0,0]=4 806 B8R0.4 CSCCCCCC=O 62a_100000139337_200000210301 [2,0,0,0,0,0|2,0,0]=4 807 B8R0.4 CSCCCCCC=O 62a_200000210301_100000139337 [2,0,0,0,0,0|2,0,0]=4 808 B8R0.4 O=CCCCNCCO 2230a_100016997473_200011292268 [2,0,0,0,0,0|1,0,1]=4 809 B8R0.4 O=CCCCSCC=O 62a_200011292268_200015260668 [2,0,0,0,0,0|1,0,0]=3 810 B8R0.4 O=CCCCSCC=O 62a_200015260668_200011292268 [2,0,0,0,0,0|1,0,0]=3 811 B8R0.4 O=CCCCSCCO 62a_100000211926_200011292268 [2,0,0,0,0,0|1,0,1]=4 812 B8R0.4 O=CCCCSCCO 62a_200011292268_100000211926 [2,0,0,0,0,0|1,0,1]=4 813 B8R0.4 O=CCNCCCCO 2230a_100000750430_200015260668 [2,0,0,0,0,0|1,0,1]=4 814 B8R0.4 O=CCNCCCCO 34a_100000750430_200009817547 [2,0,0,0,0,0|1,0,1]=4 815 B8R0.4 O=CCSCCCCO 62a_100000210776_200015260668 [2,0,0,0,0,0|1,0,1]=4 816 B8R0.4 O=CCSCCCCO 62a_200015260668_100000210776 [2,0,0,0,0,0|1,0,1]=4 817 B8R0.4 [13CH3]SCCCCCC=O 62a_100000139337_200025704644 [2,0,0,0,0,0|2,0,0]=4 818 B8R0.4 [13CH3]SCCCCCC=O 62a_200025704644_100000139337 [2,0,0,0,0,0|2,0,0]=4 819 B8R0.7 C=CCCCCC(=O)C 1458a_100000070787_100011215482 [2,0,0,0,0,0|1,0,1]=4 820 B8R0.7 C=CCCCCC(=O)C 1458a_100011215552_200000210301 [2,0,0,0,0,0|1,0,1]=4 821 B8R0.7 C=CCCCCC(=O)[13CH3] 1458a_100011215552_200025704644 [2,0,0,0,0,0|1,0,1]=4 822 B8R0.7 C=CCCNCC(=O)O 269956a_100016091260_100000754431 [2,0,0,0,0,0|1,0,1]=4 823 B8R0.7 CC(=O)CCCCCF 1458a_100000070787_100000729378 [2,0,0,0,0,0|2,0,0]=4 824 B8R0.7 CC(=O)CCCCCO 1458a_100000070787_100000746330 [2,0,0,0,0,0|1,0,0]=3 825 B8R0.7 CC(=O)CCCCCO 1458a_100102619762_200000210301 [2,0,0,0,0,0|1,0,0]=3 826 B8R0.7 CC(=O)CCOCC=O 34a_100000759926_200009817547 [2,0,0,0,0,0|2,0,0]=4 827 B8R0.7 CC(=O)CCOCC=O 7a_100000759926_200015260668 [2,0,0,0,0,0|2,0,0]=4 828 B8R0.7 CC(=O)CCOCCO 1458a_100000070787_100011215305 [2,0,0,0,0,0|2,0,0]=4 829 B8R0.7 CC(=O)CCOCCO 1458a_100011229844_200000210301 [2,0,0,0,0,0|2,0,0]=4 830 B8R0.7 CC(=O)CCOCCO 34a_100000759926_100000211926 [2,0,0,0,0,0|2,0,0]=4 831 B8R0.7 CC(=O)CCOCCO 7a_100000759926_100000211926 [2,0,0,0,0,0|2,0,0]=4 832 B8R0.7 CC(=O)CCSCC=O 62a_100000053229_200015260668 [2,0,0,0,0,0|2,0,0]=4 833 B8R0.7 CC(=O)CCSCC=O 62a_200015260668_100000053229 [2,0,0,0,0,0|2,0,0]=4 834 B8R0.7 CC(=O)CCSCCO 62a_100000053229_100000211926 [2,0,0,0,0,0|2,0,0]=4 835 B8R0.7 CC(=O)CCSCCO 62a_100000211926_100000053229 [2,0,0,0,0,0|2,0,0]=4 836 B8R0.7 CC(=O)COCCCO 34a_100000211253_100000230001 [2,0,0,0,0,0|2,0,0]=4 837 B8R0.7 CC(=O)NCCCCO 240690a_100000750430_100015343762 [2,0,0,0,0,0|2,0,0]=4 838 B8R0.7 CC(=O)NCCCCO 527a_100000750430_100103153847 [2,0,0,0,0,0|2,0,0]=4 839 B8R0.7 CCCCCCC(=O)C 1458a_100000070787_100000210757 [2,0,0,0,0,0|1,0,1]=4 840 B8R0.7 CCCCCCC(=O)C 1458a_100102632555_200000210301 [2,0,0,0,0,0|1,0,1]=4 841 B8R0.7 CCCCCCC(=O)[13CH3] 1458a_100102632555_200025704644 [2,0,0,0,0,0|1,0,1]=4 842 B8R0.7 CCCCNCC(=O)O 269956a_100016091260_100000210211 [2,0,0,0,0,0|1,0,1]=4 843 B8R0.7 NC(=O)CCNCCO 2230a_100016997473_100000744528 [2,0,0,0,0,0|2,0,0]=4 844 B8R0.7 NC(=O)CCNCCO 34a_100016990907_100000731001 [2,0,0,0,0,0|2,0,0]=4 845 B8R0.7 NC(=O)CCOCC=O 34a_100000757172_200009817547 [2,0,0,0,0,0|2,0,0]=4 846 B8R0.7 NC(=O)CCOCC=O 7a_100000757172_200015260668 [2,0,0,0,0,0|2,0,0]=4 847 B8R0.7 NC(=O)CCOCCO 34a_100000757172_100000211926 [2,0,0,0,0,0|2,0,0]=4 848 B8R0.7 NC(=O)CCOCCO 7a_100000757172_100000211926 [2,0,0,0,0,0|2,0,0]=4 849 B8R0.7 NC(=O)CCSCC=O 62a_100000744528_200015260668 [2,0,0,0,0,0|2,0,0]=4 850 B8R0.7 NC(=O)CCSCC=O 62a_200015260668_100000744528 [2,0,0,0,0,0|2,0,0]=4 851 B8R0.7 NC(=O)CCSCCO 62a_100000211926_100000744528 [2,0,0,0,0,0|2,0,0]=4 852 B8R0.7 NC(=O)CCSCCO 62a_100000744528_100000211926 [2,0,0,0,0,0|2,0,0]=4 853 B8R0.7 NC(=O)CNCCCO 2230a_100000711301_100000230001 [2,0,0,0,0,0|2,0,0]=4 854 B8R0.7 NC(=O)CSCCCO 62a_100000747473_100011215043 [2,0,0,0,0,0|2,0,0]=4 855 B8R0.7 NC(=O)CSCCCO 62a_100011215043_100000747473 [2,0,0,0,0,0|2,0,0]=4 856 B8R0.7 O=C(O)CNCCCF 269956a_100016091260_100011934791 [2,0,0,0,0,0|2,0,0]=4 857 B8R0.7 O=C(O)CNCCCO 269956a_100016091260_100011215043 [2,0,0,0,0,0|1,0,0]=3 858 B8R0.7 O=C(O)CONCCO 269956a_100000106656_100000211926 [2,0,0,0,0,0|2,0,0]=4 859 B8R0.7 O=C([O-])CSCCCO 62a_100011215043_100020667443 [2,0,0,0,0,0|1,0,1]=4 860 B8R0.7 O=C([O-])CSCCCO 62a_100020667443_100011215043 [2,0,0,0,0,0|1,0,1]=4 861 B8R0.7 O=CCNOCC(=O)O 269956a_100000106656_200015260668 [2,0,0,0,0,0|2,0,0]=4 862 B8R0.7 [13CH3]C(=O)CCCCCO 1458a_100102619762_200025704644 [2,0,0,0,0,0|1,0,0]=3 863 B8R0.7 [13CH3]C(=O)CCOCCO 1458a_100011229844_200025704644 [2,0,0,0,0,0|2,0,0]=4 864 B10R0.3 C=CCN(C)CCCC(=O)O 269956a_100000719178_100000210623 [1,1,0,0,0,0|2,0,0]=4 865 B10R0.3 CN(CC=O)CCCC(=O)O 269956a_100000719178_200015260668 [1,1,0,0,0,0|1,0,0]=3 866 B10R0.3 CN(CCO)CCCC(=O)O 269956a_100000719178_100000211926 [1,1,0,0,0,0|1,0,1]=4 867 B10R0.4 C#CCCCCNCC(=O)O 269956a_100016091260_100010269958 [1,1,0,0,0,0|1,0,1]=4 868 B10R0.4 C=C(C)CCSCCCC=O 62a_100000730704_200011292268 [1,1,0,0,0,0|2,0,0]=4 869 B10R0.4 C=C(C)CCSCCCC=O 62a_200011292268_100000730704 [1,1,0,0,0,0|2,0,0]=4 870 B10R0.4 C=C(C)CSCCCCC=O 62a_100000139335_100000211660 [1,1,0,0,0,0|2,0,0]=4 871 B10R0.4 C=C(C)CSCCCCC=O 62a_100000748629_100000139335 [1,1,0,0,0,0|2,0,0]=4 872 B10R0.4 C=C(F)CSCCCCC=O 62a_100000042424_100000139335 [1,1,0,0,0,0|2,0,0]=4 873 B10R0.4 C=C(F)CSCCCCC=O 62a_100000139335_100000042424 [1,1,0,0,0,0|2,0,0]=4 874 B10R0.4 C=CCCCCCCC(=O)C 1458a_100000070787_100011215473 [1,1,0,0,0,0|2,0,0]=4 875 B10R0.4 C=CCCCCCCC(=O)C 1458a_100011809334_200000210301 [1,1,0,0,0,0|2,0,0]=4 876 B10R0.4 C=CCCCCCCC(=O)[13CH3] 1458a_100011809334_200025704644 [1,1,0,0,0,0|2,0,0]=4 877 B10R0.4 C=CCCCCNCC(=O)N 2230a_100000703577_100000747473 [1,1,0,0,0,0|2,0,0]=4 878 B10R0.4 C=CCCCCNCC(=O)N 2230a_100000711301_100011215482 [1,1,0,0,0,0|2,0,0]=4 879 B10R0.4 C=CCCCCNCC(=O)N 34a_100000703577_100000187820 [1,1,0,0,0,0|2,0,0]=4 880 B10R0.4 C=CCCCCNCC(=O)O 269956a_100016091260_100011215482 [1,1,0,0,0,0|1,0,0]=3 881 B10R0.4 C=CCCCCNCC(=O)[O-] 34a_100000703577_100020667443 [1,1,0,0,0,0|1,0,1]=4 882 B10R0.4 C=CCCCCOCC(=O)C 34a_100000211253_100011215482 [1,1,0,0,0,0|2,0,0]=4 883 B10R0.4 C=CCCCCOCC(=O)N 34a_100000766645_100000187820 [1,1,0,0,0,0|2,0,0]=4 884 B10R0.4 C=CCCCCOCC(=O)N 7a_100000766645_100000187820 [1,1,0,0,0,0|2,0,0]=4 885 B10R0.4 C=CCCCCOCC(=O)[O-] 34a_100000766645_100020667443 [1,1,0,0,0,0|1,0,1]=4 886 B10R0.4 C=CCCCCSCC(=O)N 62a_100000747473_100011215482 [1,1,0,0,0,0|2,0,0]=4 887 B10R0.4 C=CCCCCSCC(=O)N 62a_100011215482_100000747473 [1,1,0,0,0,0|2,0,0]=4 888 B10R0.4 C=CCCCCSCC(=O)[O-] 62a_100011215482_100020667443 [1,1,0,0,0,0|1,0,1]=4 889 B10R0.4 C=CCCCCSCC(=O)[O-] 62a_100020667443_100011215482 [1,1,0,0,0,0|1,0,1]=4 890 B10R0.4 C=CCCCNCCC(=O)N 2230a_100000700776_100000744528 [1,1,0,0,0,0|2,0,0]=4 891 B10R0.4 C=CCCCNCCC(=O)N 34a_100000700776_100000731001 [1,1,0,0,0,0|2,0,0]=4 892 B10R0.4 C=CCCCNOCC(=O)O 269956a_100000106656_100011713584 [1,1,0,0,0,0|2,0,0]=4 893 B10R0.4 C=CCCCOCCC(=O)C 34a_100000759926_100000757094 [1,1,0,0,0,0|2,0,0]=4 894 B10R0.4 C=CCCCOCCC(=O)C 7a_100000758997_100000053229 [1,1,0,0,0,0|2,0,0]=4 895 B10R0.4 C=CCCCOCCC(=O)C 7a_100000759926_100000757094 [1,1,0,0,0,0|2,0,0]=4 896 B10R0.4 C=CCCCOCCC(=O)N 34a_100000757172_100000757094 [1,1,0,0,0,0|2,0,0]=4 897 B10R0.4 C=CCCCOCCC(=O)N 34a_100000758997_100000731001 [1,1,0,0,0,0|2,0,0]=4 898 B10R0.4 C=CCCCOCCC(=O)N 7a_100000757172_100000757094 [1,1,0,0,0,0|2,0,0]=4 899 B10R0.4 C=CCCCOCCC(=O)N 7a_100000758997_100000744528 [1,1,0,0,0,0|2,0,0]=4 900 B10R0.4 C=CCCCSCCC(=O)C 62a_100000053229_100000757094 [1,1,0,0,0,0|2,0,0]=4 901 B10R0.4 C=CCCCSCCC(=O)C 62a_100011713584_100000053229 [1,1,0,0,0,0|2,0,0]=4 902 B10R0.4 C=CCCCSCCC(=O)N 62a_100000744528_100000757094 [1,1,0,0,0,0|2,0,0]=4 903 B10R0.4 C=CCCCSCCC(=O)N 62a_100011713584_100000744528 [1,1,0,0,0,0|2,0,0]=4 904 B10R0.4 C=CCCNCCCC(=O)N 34a_100000739312_100000754431 [1,1,0,0,0,0|2,0,0]=4 905 B10R0.4 C=CCCOCCCC(=O)C 34a_100000759063_100000754431 [1,1,0,0,0,0|2,0,0]=4 906 B10R0.4 C=CCCOCCCC(=O)C 34a_100011205117_100000685027 [1,1,0,0,0,0|2,0,0]=4 907 B10R0.4 C=CCCOCCCC(=O)C 7a_100000759063_100000754431 [1,1,0,0,0,0|2,0,0]=4 908 B10R0.4 C=CCCOCCCC(=O)N 34a_100011205117_100102525003 [1,1,0,0,0,0|2,0,0]=4 909 B10R0.4 C=CCCSCCCC(=O)C 62a_100000754431_100011215641 [1,1,0,0,0,0|2,0,0]=4 910 B10R0.4 C=CCCSCCCC(=O)C 62a_100011215641_100000754431 [1,1,0,0,0,0|2,0,0]=4 911 B10R0.4 C=CCCSCCCC(=O)N 62a_100000754431_100102525003 [1,1,0,0,0,0|2,0,0]=4 912 B10R0.4 C=CCCSCCCC(=O)N 62a_100102525003_100000754431 [1,1,0,0,0,0|2,0,0]=4 913 B10R0.4 C=CCNCCCCC(=O)N 34a_100000696515_100015514636 [1,1,0,0,0,0|2,0,0]=4 914 B10R0.4 C=CCNCCOCC(=O)O 269956a_100000700818_100000210623 [1,1,0,0,0,0|2,0,0]=4 915 B10R0.4 C=CCOCCCCC(=O)C 34a_200000210373_100009817362 [1,1,0,0,0,0|2,0,0]=4 916 B10R0.4 C=CCOCCCCC(=O)N 34a_100012022536_100015514636 [1,1,0,0,0,0|2,0,0]=4 917 B10R0.4 C=CCOCCCCC(=O)N 7a_100012022536_100015514636 [1,1,0,0,0,0|2,0,0]=4 918 B10R0.4 C=CCSCCCCC(=O)C 62a_100000210623_100000735457 [1,1,0,0,0,0|2,0,0]=4 919 B10R0.4 C=CCSCCCCC(=O)C 62a_100000735457_100000210623 [1,1,0,0,0,0|2,0,0]=4 920 B10R0.4 CC(=O)CCCCCCCO 1458a_100000070787_100000760002 [1,1,0,0,0,0|1,0,1]=4 921 B10R0.4 CC(=O)CCCCCCCO 1458a_100011219782_200000210301 [1,1,0,0,0,0|1,0,1]=4 922 B10R0.4 CC(=O)CCCCNCCO 34a_100016990907_100009817362 [1,1,0,0,0,0|1,0,1]=4 923 B10R0.4 CC(=O)CCCCSCC=O 62a_100000735457_200015260668 [1,1,0,0,0,0|1,0,0]=3 924 B10R0.4 CC(=O)CCCCSCC=O 62a_200015260668_100000735457 [1,1,0,0,0,0|1,0,0]=3 925 B10R0.4 CC(=O)CCCCSCCO 62a_100000211926_100000735457 [1,1,0,0,0,0|1,0,1]=4 926 B10R0.4 CC(=O)CCCCSCCO 62a_100000735457_100000211926 [1,1,0,0,0,0|1,0,1]=4 927 B10R0.4 CC(=O)CCCOCCCO 34a_100000759063_100000230001 [1,1,0,0,0,0|1,0,1]=4 928 B10R0.4 CC(=O)CCCOCCCO 7a_100000759063_100011215043 [1,1,0,0,0,0|1,0,1]=4 929 B10R0.4 CC(=O)CCCSCCCO 62a_100011215043_100011215641 [1,1,0,0,0,0|1,0,1]=4 930 B10R0.4 CC(=O)CCCSCCCO 62a_100011215641_100011215043 [1,1,0,0,0,0|1,0,1]=4 931 B10R0.4 CC(=O)CCOCCCC=O 7a_100000759926_200011292268 [1,1,0,0,0,0|1,0,0]=3 932 B10R0.4 CC(=O)CCOCCCCO 34a_100000759926_100011216708 [1,1,0,0,0,0|1,0,1]=4 933 B10R0.4 CC(=O)CCOCCCCO 7a_100000759926_100000210776 [1,1,0,0,0,0|1,0,1]=4 934 B10R0.4 CC(=O)CCSCCCC=O 62a_100000053229_200011292268 [1,1,0,0,0,0|1,0,0]=3 935 B10R0.4 CC(=O)CCSCCCC=O 62a_200011292268_100000053229 [1,1,0,0,0,0|1,0,0]=3 936 B10R0.4 CC(=O)CCSCCCCO 62a_100000053229_100000210776 [1,1,0,0,0,0|1,0,1]=4 937 B10R0.4 CC(=O)CCSCCCCO 62a_100000210776_100000053229 [1,1,0,0,0,0|1,0,1]=4 938 B10R0.4 CC(=O)COCCCCCO 34a_100000211253_100000746330 [1,1,0,0,0,0|1,0,1]=4 939 B10R0.4 CC(=O)NCCCCCCO 240690a_100000686447_100015343762 [1,1,0,0,0,0|1,0,1]=4 940 B10R0.4 CC(=O)NCCCCCCO 527a_100000686447_100103153847 [1,1,0,0,0,0|1,0,1]=4 941 B10R0.4 CC(=O)NCCCNCC=O 34a_100000736810_200009817547 [1,1,0,0,0,0|2,0,0]=4 942 B10R0.4 CC(=O)NCCCOCC=O 34a_100000752032_200009817547 [1,1,0,0,0,0|2,0,0]=4 943 B10R0.4 CC(=O)OCCCSCC=O 62a_100000042594_200015260668 [1,1,0,0,0,0|2,0,0]=4 944 B10R0.4 CC(=O)OCCCSCC=O 62a_200015260668_100000042594 [1,1,0,0,0,0|2,0,0]=4 945 B10R0.4 CC(=O)OCSCCCC=O 62a_100000076356_200011292268 [1,1,0,0,0,0|2,0,0]=4 946 B10R0.4 CC(=O)OCSCCCC=O 62a_200011292268_100000076356 [1,1,0,0,0,0|2,0,0]=4 947 B10R0.4 CC(=O)SCCCSCC=O 62a_100000038929_200015260668 [1,1,0,0,0,0|2,0,0]=4 948 B10R0.4 CC(=O)SCCCSCC=O 62a_200015260668_100000038929 [1,1,0,0,0,0|2,0,0]=4 949 B10R0.4 CC(O)CCNCCCC=O 2230a_200000755665_200011292268 [1,1,0,0,0,0|1,0,1]=4 950 B10R0.4 CC(O)CCSCCCC=O 62a_100012276601_200011292268 [1,1,0,0,0,0|1,0,1]=4 951 B10R0.4 CC(O)CCSCCCC=O 62a_200011292268_100012276601 [1,1,0,0,0,0|1,0,1]=4 952 B10R0.4 CC(O)CNCCCCC=O 2230a_100000210904_100000139335 [1,1,0,0,0,0|1,0,1]=4 953 B10R0.4 CC(O)CSCCCCC=O 62a_100000139335_100011218427 [1,1,0,0,0,0|1,0,1]=4 954 B10R0.4 CC(O)CSCCCCC=O 62a_100011218427_100000139335 [1,1,0,0,0,0|1,0,1]=4 955 B10R0.4 CCCCCCNCC(=O)O 269956a_100016091260_100000210757 [1,1,0,0,0,0|1,0,1]=4 956 B10R0.4 COCCCCCCC(=O)C 1458a_100000070787_100011998445 [1,1,0,0,0,0|1,0,1]=4 957 B10R0.4 COCCCCNCC(=O)O 269956a_100016091260_100000730899 [1,1,0,0,0,0|1,0,1]=4 958 B10R0.4 C[C@@H](O)CSCCCCC=O 62a_100000139335_100009817552 [1,1,0,0,0,0|1,0,1]=4 959 B10R0.4 C[C@@H](O)CSCCCCC=O 62a_100009817552_100000139335 [1,1,0,0,0,0|1,0,1]=4 960 B10R0.4 N#CCCCCNCC(=O)O 269956a_100016091260_100011219923 [1,1,0,0,0,0|1,0,1]=4 961 B10R0.4 NC(=O)CCCCNCC=O 34a_100000696515_200009817547 [1,1,0,0,0,0|1,0,0]=3 962 B10R0.4 NC(=O)CCCCNCCO 34a_100000696515_100000211926 [1,1,0,0,0,0|1,0,1]=4 963 B10R0.4 NC(=O)CCCCOCC=O 34a_100012022536_200009817547 [1,1,0,0,0,0|1,0,0]=3 964 B10R0.4 NC(=O)CCCCOCC=O 7a_100012022536_200015260668 [1,1,0,0,0,0|1,0,0]=3 965 B10R0.4 NC(=O)CCCCOCCO 34a_100012022536_100000211926 [1,1,0,0,0,0|1,0,1]=4 966 B10R0.4 NC(=O)CCCCOCCO 7a_100012022536_100000211926 [1,1,0,0,0,0|1,0,1]=4 967 B10R0.4 NC(=O)CCCNCCCO 34a_100000739312_100000230001 [1,1,0,0,0,0|1,0,1]=4 968 B10R0.4 NC(=O)CCCSCCCO 62a_100011215043_100102525003 [1,1,0,0,0,0|1,0,1]=4 969 B10R0.4 NC(=O)CCCSCCCO 62a_100102525003_100011215043 [1,1,0,0,0,0|1,0,1]=4 970 B10R0.4 NC(=O)CCNCCCCO 2230a_100000750430_100000744528 [1,1,0,0,0,0|1,0,1]=4 971 B10R0.4 NC(=O)CCNCCCCO 34a_100000750430_100000731001 [1,1,0,0,0,0|1,0,1]=4 972 B10R0.4 NC(=O)CCOCCCC=O 7a_100000757172_200011292268 [1,1,0,0,0,0|1,0,0]=3 973 B10R0.4 NC(=O)CCOCCCCO 34a_100000757172_100011216708 [1,1,0,0,0,0|1,0,1]=4 974 B10R0.4 NC(=O)CCOCCCCO 7a_100000757172_100000210776 [1,1,0,0,0,0|1,0,1]=4 975 B10R0.4 NC(=O)CCSCCCC=O 62a_100000744528_200011292268 [1,1,0,0,0,0|1,0,0]=3 976 B10R0.4 NC(=O)CCSCCCC=O 62a_200011292268_100000744528 [1,1,0,0,0,0|1,0,0]=3 977 B10R0.4 NC(=O)CCSCCCCO 62a_100000210776_100000744528 [1,1,0,0,0,0|1,0,1]=4 978 B10R0.4 NC(=O)CCSCCCCO 62a_100000744528_100000210776 [1,1,0,0,0,0|1,0,1]=4 979 B10R0.4 NC(=O)CNCCCCC=O 2230a_100000711301_100000139335 [1,1,0,0,0,0|1,0,0]=3 980 B10R0.4 NC(=O)CNCCCCCO 2230a_100000711301_100000746330 [1,1,0,0,0,0|1,0,1]=4 981 B10R0.4 NC(=O)CNCCCCCO 2230a_100000762737_100000747473 [1,1,0,0,0,0|1,0,1]=4 982 B10R0.4 NC(=O)CNCCCCCO 34a_100000762737_100000187820 [1,1,0,0,0,0|1,0,1]=4 983 B10R0.4 NC(=O)COCCSCC=O 62a_100000076697_200015260668 [1,1,0,0,0,0|2,0,0]=4 984 B10R0.4 NC(=O)COCCSCC=O 62a_200015260668_100000076697 [1,1,0,0,0,0|2,0,0]=4 985 B10R0.4 NC(=O)CSCCCCC=O 62a_100000139335_100000747473 [1,1,0,0,0,0|1,0,0]=3 986 B10R0.4 NC(=O)CSCCCCC=O 62a_100000747473_100000139335 [1,1,0,0,0,0|1,0,0]=3 987 B10R0.4 NC(=O)CSCCCCCO 62a_100000746330_100000747473 [1,1,0,0,0,0|1,0,1]=4 988 B10R0.4 NC(=O)CSCCCCCO 62a_100000747473_100000746330 [1,1,0,0,0,0|1,0,1]=4 989 B10R0.4 O=C(O)CNCCCCCF 269956a_100016091260_100000729378 [1,1,0,0,0,0|1,0,1]=4 990 B10R0.4 O=C(O)CNCCCCCO 269956a_100016091260_100000746330 [1,1,0,0,0,0|0,0,1]=3 991 B10R0.4 O=C(O)CNCCOCCO 269956a_100016091260_100011215305 [1,1,0,0,0,0|1,0,1]=4 992 B10R0.4 O=C(O)COCCNCCO 269956a_100000700818_100000211926 [1,1,0,0,0,0|1,0,1]=4 993 B10R0.4 O=C(O)CONCCCCO 269956a_100000106656_100000210776 [1,1,0,0,0,0|1,0,1]=4 994 B10R0.4 O=C([O-])CNCCCCCO 34a_100000762737_100020667443 [1,1,0,0,0,0|0,0,2]=4 995 B10R0.4 O=C([O-])CSCCCCCO 62a_100000746330_100020667443 [1,1,0,0,0,0|0,0,2]=4 996 B10R0.4 O=C([O-])CSCCCCCO 62a_100020667443_100000746330 [1,1,0,0,0,0|0,0,2]=4 997 B10R0.4 O=CCCCCNCC(=O)O 269956a_100016091260_100000139335 [1,1,0,0,0,0|0,0,0]=2 998 B10R0.4 O=CCCCCSCC(=O)[O-] 62a_100000139335_100020667443 [1,1,0,0,0,0|0,0,1]=3 999 B10R0.4 O=CCCCCSCC(=O)[O-] 62a_100020667443_100000139335 [1,1,0,0,0,0|0,0,1]=3 1000 B10R0.4 O=CCCCCSC[N+](=O)[O-] 62a_100000139335_100000761209 [1,1,0,0,0,0|1,0,1]=4 1001 B10R0.4 O=CCCCNOCC(=O)O 269956a_100000106656_200011292268 [1,1,0,0,0,0|1,0,0]=3 1002 B10R0.4 O=CCNCCOCC(=O)O 269956a_100000700818_200015260668 [1,1,0,0,0,0|1,0,0]=3 1003 B10R0.4 O=CCOCCCC[N+](=O)[O-] 34a_200015379883_200009817547 [1,1,0,0,0,0|1,0,1]=4 1004 B10R0.4 O=CCOCCCC[N+](=O)[O-] 7a_200015379883_200015260668 [1,1,0,0,0,0|1,0,1]=4 1005 B10R0.4 O=CCSCCCCB(O)O 62a_200009817182_200015260668 [1,1,0,0,0,0|1,0,1]=4 1006 B10R0.4 O=CCSCCCCB(O)O 62a_200015260668_200009817182 [1,1,0,0,0,0|1,0,1]=4 1007 B10R0.4 [13CH3]C(=O)CCCCCCCO 1458a_100011219782_200025704644 [1,1,0,0,0,0|1,0,1]=4 1008 B10R0.6 C=CCCCN(C)CC(=O)O 269956a_100000746989_100011713584 [1,1,0,0,0,0|2,0,0]=4 1009 B10R0.6 C=CCNCC(O)CC(=O)O 269956a_100011218706_100000210623 [1,1,0,0,0,0|2,0,0]=4 1010 B10R0.6 CN(CCCC=O)CC(=O)N 2230a_100000739694_200011292268 [1,1,0,0,0,0|2,0,0]=4 1011 B10R0.6 CN(CCCC=O)CC(=O)O 269956a_100000746989_200011292268 [1,1,0,0,0,0|1,0,0]=3 1012 B10R0.6 CN(CCCCO)CC(=O)O 269956a_100000746989_100000210776 [1,1,0,0,0,0|1,0,1]=4 1013 B10R0.6 O=C(O)CC(O)CNCCO 269956a_100011218706_100000211926 [1,1,0,0,0,0|1,0,1]=4 1014 B10R0.6 O=CCNCC(O)CC(=O)O 269956a_100011218706_200015260668 [1,1,0,0,0,0|1,0,0]=3 1015 B10R0.74 C#CC(=O)CCCCCC=C 1458a_100000211873_100000700193 [1,1,0,0,0,0|2,0,0]=4 1016 B10R0.74 C#CC(=O)CCCCCCO 1458a_100000211873_100000766143 [1,1,0,0,0,0|1,0,1]=4 1017 B10R0.74 C#CCCCCCC(=O)CO 1458a_100000210174_100012094781 [1,1,0,0,0,0|1,0,1]=4 1018 B10R0.74 C=CC(=O)CCCCCCO 1458a_100000185746_100000766143 [1,1,0,0,0,0|1,0,1]=4 1019 B10R0.74 C=CCCCCCC(=O)C=C 1458a_100000185746_100000700193 [1,1,0,0,0,0|2,0,0]=4 1020 B10R0.74 C=CCCCCCC(=O)CC 1458a_100000210414_100000700193 [1,1,0,0,0,0|2,0,0]=4 1021 B10R0.74 C=CCCCCCC(=O)CC 1458a_100011934241_100000210202 [1,1,0,0,0,0|2,0,0]=4 1022 B10R0.74 C=CCCCCCC(=O)CF 1458a_100011934241_100015361967 [1,1,0,0,0,0|2,0,0]=4 1023 B10R0.74 C=CCCCCCC(=O)CO 1458a_100000210174_100000700193 [1,1,0,0,0,0|1,0,0]=3 1024 B10R0.74 C=CCCCCCC(=O)NC 11a_106832991635_100011934241 [1,1,0,0,0,0|2,0,0]=4 1025 B10R0.74 C=CCCCCCC(=O)NC 1626a_100102657272_100011934241 [1,1,0,0,0,0|2,0,0]=4 1026 B10R0.74 C=CCCCCCC(=O)NC 240690a_100102657272_100011934241 [1,1,0,0,0,0|2,0,0]=4 1027 B10R0.74 C=CCCCCCC(=O)NC 527a_100102657272_100011934241 [1,1,0,0,0,0|2,0,0]=4 1028 B10R0.74 C=CCCCCNC(=O)CO 240690a_100000703577_100000210174 [1,1,0,0,0,0|2,0,0]=4 1029 B10R0.74 C=CCCCCNC(=O)CO 527a_100000703577_100000210174 [1,1,0,0,0,0|2,0,0]=4 1030 B10R0.74 C=CCCCNCC(=O)OC 2230a_100000700776_100000747449 [1,1,0,0,0,0|2,0,0]=4 1031 B10R0.74 C=CCCCNCC(=O)OC 34a_100000700776_100000747449 [1,1,0,0,0,0|2,0,0]=4 1032 B10R0.74 C=CCCCOCC(=O)OC 34a_100000758997_100000747449 [1,1,0,0,0,0|2,0,0]=4 1033 B10R0.74 C=CCCCOCC(=O)OC 7a_100000758997_100000747449 [1,1,0,0,0,0|2,0,0]=4 1034 B10R0.74 C=CCCCSCC(=O)OC 62a_100000747449_100000757094 [1,1,0,0,0,0|2,0,0]=4 1035 B10R0.74 C=CCCCSCC(=O)OC 62a_100011713584_100000747449 [1,1,0,0,0,0|2,0,0]=4 1036 B10R0.74 C=CCCNCCC(=O)OC 2230a_100015191253_100000204255 [1,1,0,0,0,0|2,0,0]=4 1037 B10R0.74 C=CCCOCCC(=O)OC 34a_100011205117_100000742370 [1,1,0,0,0,0|2,0,0]=4 1038 B10R0.74 C=CCCSCCC(=O)OC 62a_100000204255_100000754431 [1,1,0,0,0,0|2,0,0]=4 1039 B10R0.74 C=CCCSCCC(=O)OC 62a_100000754431_100000204255 [1,1,0,0,0,0|2,0,0]=4 1040 B10R0.74 C=CCNCCCC(=O)OC 2230a_100020586998_100011218270 [1,1,0,0,0,0|2,0,0]=4 1041 B10R0.74 C=CCOCCCC(=O)OC 34a_200000210373_100000742333 [1,1,0,0,0,0|2,0,0]=4 1042 B10R0.74 C=CCSCCCC(=O)OC 62a_100000210623_100011218270 [1,1,0,0,0,0|2,0,0]=4 1043 B10R0.74 C=CCSCCCC(=O)OC 62a_100011218270_100000210623 [1,1,0,0,0,0|2,0,0]=4 1044 B10R0.74 CCC(=O)CCCCCCO 1458a_100000210414_100000766143 [1,1,0,0,0,0|1,0,1]=4 1045 B10R0.74 CCC(=O)CCCCCCO 1458a_100011996774_100000210202 [1,1,0,0,0,0|1,0,1]=4 1046 B10R0.74 CCC(=O)CSCCCC=O 62a_100000747405_200011292268 [1,1,0,0,0,0|2,0,0]=4 1047 B10R0.74 CCC(=O)CSCCCC=O 62a_200011292268_100000747405 [1,1,0,0,0,0|2,0,0]=4 1048 B10R0.74 CCCCCCCC(=O)CO 1458a_100000210174_100000210614 [1,1,0,0,0,0|1,0,1]=4 1049 B10R0.74 CNC(=O)CCCCCCO 240690a_100102657272_100011996774 [1,1,0,0,0,0|1,0,1]=4 1050 B10R0.74 CNC(=O)CCCNCC=O 2230a_100000740002_200015260668 [1,1,0,0,0,0|2,0,0]=4 1051 B10R0.74 CNC(=O)CCCNCC=O 34a_100000740002_200009817547 [1,1,0,0,0,0|2,0,0]=4 1052 B10R0.74 CNC(=O)CCCSCC=O 62a_100000741757_200015260668 [1,1,0,0,0,0|2,0,0]=4 1053 B10R0.74 CNC(=O)CCCSCC=O 62a_200015260668_100000741757 [1,1,0,0,0,0|2,0,0]=4 1054 B10R0.74 CNC(=O)CNCCCC=O 2230a_100000693194_200011292268 [1,1,0,0,0,0|2,0,0]=4 1055 B10R0.74 CNC(=O)CSCCCC=O 62a_100000183359_200011292268 [1,1,0,0,0,0|2,0,0]=4 1056 B10R0.74 CNC(=O)CSCCCC=O 62a_200011292268_100000183359 [1,1,0,0,0,0|2,0,0]=4 1057 B10R0.74 CNCCCCCC(=O)OC 2230a_106832991635_100009816466 [1,1,0,0,0,0|2,0,0]=4 1058 B10R0.74 CNCCCCCC(=O)OC 34a_100102657272_100009816466 [1,1,0,0,0,0|2,0,0]=4 1059 B10R0.74 CNCCCCCC(=O)OC 7a_106832991635_100009816466 [1,1,0,0,0,0|2,0,0]=4 1060 B10R0.74 COC(=O)CCCCCO[13CH3] 34a_100000074720_200025704644 [1,1,0,0,0,0|2,0,0]=4 1061 B10R0.74 COC(=O)CCCCCO[13CH3] 7a_100000074720_200025704644 [1,1,0,0,0,0|2,0,0]=4 1062 B10R0.74 COC(=O)CCCCCSC 62a_100009816466_200000210301 [1,1,0,0,0,0|2,0,0]=4 1063 B10R0.74 COC(=O)CCCCCSC 62a_200000210301_100009816466 [1,1,0,0,0,0|2,0,0]=4 1064 B10R0.74 COC(=O)CCCCCS[13CH3] 62a_100009816466_200025704644 [1,1,0,0,0,0|2,0,0]=4 1065 B10R0.74 COC(=O)CCCCCS[13CH3] 62a_200025704644_100009816466 [1,1,0,0,0,0|2,0,0]=4 1066 B10R0.74 COC(=O)CCCNCCO 2230a_100016997473_100011218270 [1,1,0,0,0,0|1,0,1]=4 1067 B10R0.74 COC(=O)CCCNCCO 34a_100016990907_100000742333 [1,1,0,0,0,0|1,0,1]=4 1068 B10R0.74 COC(=O)CCCSCC=O 62a_100011218270_200015260668 [1,1,0,0,0,0|1,0,0]=3 1069 B10R0.74 COC(=O)CCCSCC=O 62a_200015260668_100011218270 [1,1,0,0,0,0|1,0,0]=3 1070 B10R0.74 COC(=O)CCCSCCO 62a_100000211926_100011218270 [1,1,0,0,0,0|1,0,1]=4 1071 B10R0.74 COC(=O)CCCSCCO 62a_100011218270_100000211926 [1,1,0,0,0,0|1,0,1]=4 1072 B10R0.74 COC(=O)CCSCCCO 62a_100000204255_100011215043 [1,1,0,0,0,0|1,0,1]=4 1073 B10R0.74 COC(=O)CCSCCCO 62a_100011215043_100000204255 [1,1,0,0,0,0|1,0,1]=4 1074 B10R0.74 COC(=O)CNCCCCO 2230a_100000750430_100000747449 [1,1,0,0,0,0|1,0,1]=4 1075 B10R0.74 COC(=O)CNCCCCO 34a_100000750430_100000747449 [1,1,0,0,0,0|1,0,1]=4 1076 B10R0.74 COC(=O)CSCCCC=O 62a_100000747449_200011292268 [1,1,0,0,0,0|1,0,0]=3 1077 B10R0.74 COC(=O)CSCCCC=O 62a_200011292268_100000747449 [1,1,0,0,0,0|1,0,0]=3 1078 B10R0.74 COC(=O)CSCCCCO 62a_100000210776_100000747449 [1,1,0,0,0,0|1,0,1]=4 1079 B10R0.74 COC(=O)CSCCCCO 62a_100000747449_100000210776 [1,1,0,0,0,0|1,0,1]=4 1080 B10R0.74 COC(=O)NCCOCC=O 34a_100000757965_200009817547 [1,1,0,0,0,0|2,0,0]=4 1081 B10R0.74 COC(=O)OCCOCC=O 34a_100010262106_200009817547 [1,1,0,0,0,0|2,0,0]=4 1082 B10R0.74 COCCCCCC(=O)OC 34a_100000074720_200000210301 [1,1,0,0,0,0|2,0,0]=4 1083 B10R0.74 COCCCCCC(=O)OC 34a_100138415774_100009816466 [1,1,0,0,0,0|2,0,0]=4 1084 B10R0.74 COCCCCCC(=O)OC 7a_100000074720_200000210301 [1,1,0,0,0,0|2,0,0]=4 1085 B10R0.74 N#CCCCCCC(=O)CO 1458a_100000210174_100009813376 [1,1,0,0,0,0|1,0,1]=4 1086 B10R0.74 NNC(=O)CCCOCC=O 34a_100000211488_200009817547 [1,1,0,0,0,0|2,0,0]=4 1087 B10R0.74 O=C(CF)CCCCCCO 1458a_100011996774_100015361967 [1,1,0,0,0,0|1,0,1]=4 1088 B10R0.74 O=C(CO)CCCCCCF 1458a_100000210174_100015922095 [1,1,0,0,0,0|1,0,1]=4 1089 B10R0.74 O=C(CO)CCCCCCO 1458a_100000210174_100000766143 [1,1,0,0,0,0|0,0,1]=3 1090 B10R0.74 O=C(CO)NCCCCCO 240690a_100000762737_100000210174 [1,1,0,0,0,0|1,0,1]=4 1091 B10R0.75 C=CCCCN[C@@H](C)C(=O)O 269956a_100000743915_100011713584 [1,1,0,0,0,0|2,0,0]=4 1092 B10R0.75 C=CCCNCC(C)C(=O)O 269956a_100000749485_100000754431 [1,1,0,0,0,0|2,0,0]=4 1093 B10R0.75 C=CCCNCC(F)C(=O)O 269956a_100000084737_100000754431 [1,1,0,0,0,0|2,0,0]=4 1094 B10R0.75 CC(=O)C(C)SCCCC=O 62a_100009814033_200011292268 [1,1,0,0,0,0|2,0,0]=4 1095 B10R0.75 CC(=O)C(C)SCCCC=O 62a_200011292268_100009814033 [1,1,0,0,0,0|2,0,0]=4 1096 B10R0.75 CC(CNCCCO)C(=O)O 269956a_100000749485_100011215043 [1,1,0,0,0,0|1,0,1]=4 1097 B10R0.75 CC(SCCCC=O)C(=O)N 62a_100000702099_200011292268 [1,1,0,0,0,0|2,0,0]=4 1098 B10R0.75 CC(SCCCC=O)C(=O)N 62a_200011292268_100000702099 [1,1,0,0,0,0|2,0,0]=4 1099 B10R0.75 C[C@@H](NCCCC=O)C(=O)N 2230a_100000119354_200011292268 [1,1,0,0,0,0|2,0,0]=4 1100 B10R0.75 C[C@@H](OCCCC=O)C(=O)N 7a_100000731257_200011292268 [1,1,0,0,0,0|2,0,0]=4 1101 B10R0.75 C[C@H](NCCCC=O)C(=O)O 269956a_100000743915_200011292268 [1,1,0,0,0,0|1,0,0]=3 1102 B10R0.75 C[C@H](NCCCCO)C(=O)O 269956a_100000743915_100000210776 [1,1,0,0,0,0|1,0,1]=4 1103 B10R0.75 C[C@H](OCCCC=O)C(=O)[O-] 7a_217856618621_200011292268 [1,1,0,0,0,0|1,0,1]=4 1104 B10R0.75 NC(=O)C(F)SCCCC=O 62a_100009813875_200011292268 [1,1,0,0,0,0|2,0,0]=4 1105 B10R0.75 NC(=O)C(F)SCCCC=O 62a_200011292268_100009813875 [1,1,0,0,0,0|2,0,0]=4 1106 B10R0.75 O=C(O)C(F)CNCCCO 269956a_100000084737_100011215043 [1,1,0,0,0,0|1,0,1]=4 1107 B10R0.75 O=CCCCSC(F)C(=O)[O-] 62a_100020610796_200011292268 [1,1,0,0,0,0|1,0,1]=4 1108 B10R0.75 O=CCCCSC(F)C(=O)[O-] 62a_200011292268_100020610796 [1,1,0,0,0,0|1,0,1]=4 1109 B10R0.96 CC(=O)CCN(C)CC(=O)O 269956a_100000746989_100000053229 [0,1,0,0,1,0|2,0,0]=4 1110 B10R0.96 CN(CCC(=O)N)CC(=O)O 269956a_100000746989_100000744528 [0,1,0,0,1,0|2,0,0]=4 1111 B10R0.98 CC(=O)CCN[C@@H](C)C(=O)O 269956a_100000743915_100000053229 [0,1,0,0,1,0|2,0,0]=4 1112 B10R0.98 CC(CNCC(=O)N)C(=O)O 269956a_100000749485_100000187820 [0,1,0,0,1,0|2,0,0]=4 1113 B10R0.98 CC(CNCC(=O)[O-])C(=O)O 269956a_100000749485_100020667443 [0,1,0,0,1,0|1,0,1]=4 1114 B10R0.98 C[C@H](NCCC(=O)N)C(=O)O 269956a_100000743915_100000744528 [0,1,0,0,1,0|2,0,0]=4 1115 B10R0.98 NC(=O)CNCC(F)C(=O)O 269956a_100000084737_100000187820 [0,1,0,0,1,0|2,0,0]=4 1116 B10R0.98 O=C([O-])CNCC(F)C(=O)O 269956a_100000084737_100020667443 [0,1,0,0,1,0|1,0,1]=4 1117 B12R0.42 CC(=O)C(C)COCCCC(=O)N 34a_100000032740_100102525003 [0,1,0,0,0,1|2,0,0]=4 1118 B12R0.42 CC(=O)C(C)COCCCC(=O)N 7a_100000032740_100102525003 [0,1,0,0,0,1|2,0,0]=4 1119 B12R0.42 CC(=O)C(C)NCCOCC(=O)O 269956a_100000700818_100009814033 [0,1,0,0,0,1|2,0,0]=4 1120 B12R0.42 CC(=O)C(C)OCCCCC(=O)N 7a_100012022536_100000179758 [0,1,0,0,0,1|2,0,0]=4 1121 B12R0.42 CC(=O)CCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000735457 [0,1,0,0,0,1|1,0,0]=3 1122 B12R0.42 CC(=O)CCCCN[C@H](C)C(=O)N 34a_100000119354_100009817362 [0,1,0,0,0,1|2,0,0]=4 1123 B12R0.42 CC(=O)CCCCOC(C)C(=O)C 34a_100000212229_100009817362 [0,1,0,0,0,1|2,0,0]=4 1124 B12R0.42 CC(=O)CCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000735457 [0,1,0,0,0,1|1,0,1]=4 1125 B12R0.42 CC(=O)CCCCO[C@H](C)C(=O)N 34a_100000731257_100009817362 [0,1,0,0,0,1|2,0,0]=4 1126 B12R0.42 CC(=O)CCCCO[C@H](C)C(=O)N 7a_100000731257_100000735457 [0,1,0,0,0,1|2,0,0]=4 1127 B12R0.42 CC(=O)CCCCSC(C)C(=O)C 62a_100000735457_100009814033 [0,1,0,0,0,1|2,0,0]=4 1128 B12R0.42 CC(=O)CCCCSC(C)C(=O)C 62a_100009814033_100000735457 [0,1,0,0,0,1|2,0,0]=4 1129 B12R0.42 CC(=O)CCCCSC(C)C(=O)N 62a_100000702099_100000735457 [0,1,0,0,0,1|2,0,0]=4 1130 B12R0.42 CC(=O)CCCCSC(C)C(=O)N 62a_100000735457_100000702099 [0,1,0,0,0,1|2,0,0]=4 1131 B12R0.42 CC(=O)CCCCSC(F)C(=O)N 62a_100000735457_100009813875 [0,1,0,0,0,1|2,0,0]=4 1132 B12R0.42 CC(=O)CCCCSC(F)C(=O)N 62a_100009813875_100000735457 [0,1,0,0,0,1|2,0,0]=4 1133 B12R0.42 CC(=O)CCCCSC(F)C(=O)[O-] 62a_100000735457_100020610796 [0,1,0,0,0,1|1,0,1]=4 1134 B12R0.42 CC(=O)CCCCSC(F)C(=O)[O-] 62a_100020610796_100000735457 [0,1,0,0,0,1|1,0,1]=4 1135 B12R0.42 CC(=O)CCCNCC(C)C(=O)O 269956a_100000749485_100011215641 [0,1,0,0,0,1|1,0,0]=3 1136 B12R0.42 CC(=O)CCCNCC(F)C(=O)O 269956a_100000084737_100011215641 [0,1,0,0,0,1|1,0,0]=3 1137 B12R0.42 CC(=O)CCCOCC(C)C(=O)C 34a_100000032740_100000685027 [0,1,0,0,0,1|2,0,0]=4 1138 B12R0.42 CC(=O)CCCOCC(C)C(=O)C 7a_100000032740_100011215641 [0,1,0,0,0,1|2,0,0]=4 1139 B12R0.42 CC(=O)CCCOC[C@H](N)C(=O)N 34a_100000729942_100000685027 [0,1,0,0,0,1|2,0,0]=4 1140 B12R0.42 CC(=O)NCCNCC(C)C(=O)O 269956a_100000749485_100000189650 [0,1,0,0,0,1|2,0,0]=4 1141 B12R0.42 CC(=O)NCCNCC(F)C(=O)O 269956a_100000084737_100000189650 [0,1,0,0,0,1|2,0,0]=4 1142 B12R0.42 CC(=O)OCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000042594 [0,1,0,0,0,1|2,0,0]=4 1143 B12R0.42 CC(=O)OCCNCC(C)C(=O)O 269956a_100000749485_100009814007 [0,1,0,0,0,1|2,0,0]=4 1144 B12R0.42 CC(=O)OCCNCC(F)C(=O)O 269956a_100000084737_100009814007 [0,1,0,0,0,1|2,0,0]=4 1145 B12R0.42 CC(=O)SCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000038929 [0,1,0,0,0,1|2,0,0]=4 1146 B12R0.42 CC(CNCCCC(=O)N)C(=O)O 269956a_100000749485_100102525003 [0,1,0,0,0,1|1,0,0]=3 1147 B12R0.42 CC(CNCCNC(=O)N)C(=O)O 269956a_100000749485_200000034859 [0,1,0,0,0,1|2,0,0]=4 1148 B12R0.42 CC(NCCCCC(=O)N)C(=O)N 34a_100000696515_100000702099 [0,1,0,0,0,1|2,0,0]=4 1149 B12R0.42 CC(O)CCCNCC(C)C(=O)O 269956a_100000749485_200000718107 [0,1,0,0,0,1|1,0,1]=4 1150 B12R0.42 CC(O)CCCNCC(F)C(=O)O 269956a_100000084737_200000718107 [0,1,0,0,0,1|1,0,1]=4 1151 B12R0.42 CC(OCCCCC(=O)N)C(=O)N 34a_100012022536_100000702099 [0,1,0,0,0,1|2,0,0]=4 1152 B12R0.42 CC(OCCCCC(=O)N)C(=O)N 7a_100012022536_100000702099 [0,1,0,0,0,1|2,0,0]=4 1153 B12R0.42 C[C@H](NCCCCB(O)O)C(=O)O 269956a_100000743915_200009817182 [0,1,0,0,0,1|1,0,1]=4 1154 B12R0.42 C[C@H](NCCOCC(=O)N)C(=O)O 269956a_100000743915_100000076697 [0,1,0,0,0,1|2,0,0]=4 1155 B12R0.42 NC(=O)CCCCNC(F)C(=O)N 34a_100000696515_100009813875 [0,1,0,0,0,1|2,0,0]=4 1156 B12R0.42 NC(=O)CCCCNC(F)C(=O)[O-] 34a_100000696515_100020610796 [0,1,0,0,0,1|1,0,1]=4 1157 B12R0.42 NC(=O)CCCCOC(F)C(=O)N 34a_100012022536_100009813875 [0,1,0,0,0,1|2,0,0]=4 1158 B12R0.42 NC(=O)CCCCOC(F)C(=O)N 7a_100012022536_100009813875 [0,1,0,0,0,1|2,0,0]=4 1159 B12R0.42 NC(=O)CCCCOC(F)C(=O)[O-] 34a_100012022536_100020610796 [0,1,0,0,0,1|1,0,1]=4 1160 B12R0.42 NC(=O)CCCNCC(F)C(=O)O 269956a_100000084737_100102525003 [0,1,0,0,0,1|1,0,0]=3 1161 B12R0.42 NC(=O)CCCOC[C@H](N)C(=O)N 34a_100000729942_100102525003 [0,1,0,0,0,1|2,0,0]=4 1162 B12R0.42 NC(=O)NCCNCC(F)C(=O)O 269956a_100000084737_200000034859 [0,1,0,0,0,1|2,0,0]=4 1163 B12R0.44 C=C(C)CCN(C)CCCC(=O)O 269956a_100000719178_100000730704 [0,1,0,0,0,1|2,0,0]=4 1164 B12R0.44 CC(=O)CCCC(=O)CCC(=O)N 1458a_100011215257_100011215641 [0,1,0,0,0,1|2,0,0]=4 1165 B12R0.44 CC(=O)CCN(C)CCCC(=O)O 269956a_100000719178_100000053229 [0,1,0,0,0,1|1,0,0]=3 1166 B12R0.44 CC(=O)OCC(O)CNCC(=O)O 269956a_100016091260_200000139349 [0,1,0,0,0,1|2,0,0]=4 1167 B12R0.44 CC(=O)OCN(C)CCCC(=O)O 269956a_100000719178_100000076356 [0,1,0,0,0,1|2,0,0]=4 1168 B12R0.44 CC(=O)SCC(C)CNCC(=O)O 269956a_100016091260_200000116872 [0,1,0,0,0,1|2,0,0]=4 1169 B12R0.44 CC(CCCC(=O)[O-])OCC(=O)N 7a_100000761597_100000187820 [0,1,0,0,0,1|1,0,1]=4 1170 B12R0.44 CC(O)CCN(C)CCCC(=O)O 269956a_100000719178_100012276601 [0,1,0,0,0,1|1,0,1]=4 1171 B12R0.44 CN(CCCC(=O)O)CCC(=O)N 269956a_100000719178_100000744528 [0,1,0,0,0,1|1,0,0]=3 1172 B12R0.44 NC(=O)CCCC(=O)CCC(=O)N 1458a_100011215257_100102525003 [0,1,0,0,0,1|2,0,0]=4 1173 B12R0.184 C#CC(=O)CCCCCOC(=O)C 1458a_100000211873_100000033007 [0,1,0,0,0,1|2,0,0]=4 1174 B12R0.184 C=C(Br)CCOCCCC(=O)OC 34a_100009813270_100000742333 [0,1,0,0,0,1|2,0,0]=4 1175 B12R0.184 C=C(C)CCOCCCC(=O)OC 34a_100000764851_100000742333 [0,1,0,0,0,1|2,0,0]=4 1176 B12R0.184 C=C(C)CCSCCCC(=O)OC 62a_100000730704_100011218270 [0,1,0,0,0,1|2,0,0]=4 1177 B12R0.184 C=C(C)CCSCCCC(=O)OC 62a_100011218270_100000730704 [0,1,0,0,0,1|2,0,0]=4 1178 B12R0.184 C=C(C)COCCCCC(=O)OC 34a_100000059025_100000748629 [0,1,0,0,0,1|2,0,0]=4 1179 B12R0.184 C=C(C)COCCCCC(=O)OC 34a_100000210245_100000204269 [0,1,0,0,0,1|2,0,0]=4 1180 B12R0.184 C=C(C)COCCCCC(=O)OC 7a_100000059025_100000748629 [0,1,0,0,0,1|2,0,0]=4 1181 B12R0.184 C=C(C)CSCCCCC(=O)OC 62a_100000204269_100000211660 [0,1,0,0,0,1|2,0,0]=4 1182 B12R0.184 C=C(C)CSCCCCC(=O)OC 62a_100000748629_100000204269 [0,1,0,0,0,1|2,0,0]=4 1183 B12R0.184 C=C(F)COCCCCC(=O)OC 34a_100000059025_100009893438 [0,1,0,0,0,1|2,0,0]=4 1184 B12R0.184 C=C(F)COCCCCC(=O)OC 34a_200010262243_100000204269 [0,1,0,0,0,1|2,0,0]=4 1185 B12R0.184 C=C(F)COCCCCC(=O)OC 7a_100000059025_100000042424 [0,1,0,0,0,1|2,0,0]=4 1186 B12R0.184 C=C(F)CSCCCCC(=O)OC 62a_100000042424_100000204269 [0,1,0,0,0,1|2,0,0]=4 1187 B12R0.184 C=C(F)CSCCCCC(=O)OC 62a_100000204269_100000042424 [0,1,0,0,0,1|2,0,0]=4 1188 B12R0.184 C=CC(=O)CCCCCOC(=O)C 1458a_100000185746_100000033007 [0,1,0,0,0,1|2,0,0]=4 1189 B12R0.184 C=CC(=O)NCCCCCC(=O)C 1458a_100011222493_200000210301 [0,1,0,0,0,1|2,0,0]=4 1190 B12R0.184 C=CC(=O)NCCCCCC(=O)[13CH3] 1458a_100011222493_200025704644 [0,1,0,0,0,1|2,0,0]=4 1191 B12R0.184 CC(=O)CCCOCCC(=NO)N 34a_100000749954_100000685027 [0,1,0,0,0,1|2,0,0]=4 1192 B12R0.184 CC(=O)NCCCCCC(=O)CF 1458a_100000183861_100015361967 [0,1,0,0,0,1|2,0,0]=4 1193 B12R0.184 CC(=O)NCCCCNC(=O)CO 240690a_200011368371_100000210174 [0,1,0,0,0,1|2,0,0]=4 1194 B12R0.184 CC(=O)NCCCCNC(=O)CO 527a_200011368371_100000210174 [0,1,0,0,0,1|2,0,0]=4 1195 B12R0.184 CC(=O)OCCCCCC(=O)CO 1458a_100000210174_100000033007 [0,1,0,0,0,1|1,0,0]=3 1196 B12R0.184 CC(=O)OCCOCCC(=O)CO 1458a_100000210174_200000083610 [0,1,0,0,0,1|2,0,0]=4 1197 B12R0.184 CCC(=O)CCCCCNC(=O)C 1458a_100000183861_100000210202 [0,1,0,0,0,1|2,0,0]=4 1198 B12R0.184 CCC(=O)CCCCCOC(=O)C 1458a_100000210414_100000033007 [0,1,0,0,0,1|2,0,0]=4 1199 B12R0.184 CCC(=O)CNCCOCC(=O)O 269956a_100000700818_100000747405 [0,1,0,0,0,1|2,0,0]=4 1200 B12R0.184 CCC(=O)COCCCCC(=O)C 34a_100000725409_100009817362 [0,1,0,0,0,1|2,0,0]=4 1201 B12R0.184 CCC(=O)COCCCCC(=O)N 7a_100012022536_100000747405 [0,1,0,0,0,1|2,0,0]=4 1202 B12R0.184 CCC(=O)CSCCCCC(=O)C 62a_100000735457_100000747405 [0,1,0,0,0,1|2,0,0]=4 1203 B12R0.184 CCC(=O)CSCCCCC(=O)C 62a_100000747405_100000735457 [0,1,0,0,0,1|2,0,0]=4 1204 B12R0.184 CNC(=O)CCCCCNC(=O)C 11a_106832991635_100000183861 [0,1,0,0,0,1|2,0,0]=4 1205 B12R0.184 CNC(=O)CCCCCNC(=O)C 1626a_100102657272_100000183861 [0,1,0,0,0,1|2,0,0]=4 1206 B12R0.184 CNC(=O)CCCCCNC(=O)C 240690a_100102657272_100000183861 [0,1,0,0,0,1|2,0,0]=4 1207 B12R0.184 CNC(=O)CCCNCCC(=O)N 2230a_100000740002_100000744528 [0,1,0,0,0,1|2,0,0]=4 1208 B12R0.184 CNC(=O)CCCNCCC(=O)N 34a_100000740002_100000731001 [0,1,0,0,0,1|2,0,0]=4 1209 B12R0.184 CNC(=O)CCCNOCC(=O)O 269956a_100000106656_100000741757 [0,1,0,0,0,1|2,0,0]=4 1210 B12R0.184 CNC(=O)CCCOCCC(=O)C 34a_100000759926_100000741757 [0,1,0,0,0,1|2,0,0]=4 1211 B12R0.184 CNC(=O)CCCOCCC(=O)C 7a_100000759926_100000741757 [0,1,0,0,0,1|2,0,0]=4 1212 B12R0.184 CNC(=O)CCCOCCC(=O)N 34a_100000757172_100000741757 [0,1,0,0,0,1|2,0,0]=4 1213 B12R0.184 CNC(=O)CCCOCCC(=O)N 7a_100000757172_100000741757 [0,1,0,0,0,1|2,0,0]=4 1214 B12R0.184 CNC(=O)CCCSCCC(=O)C 62a_100000053229_100000741757 [0,1,0,0,0,1|2,0,0]=4 1215 B12R0.184 CNC(=O)CCCSCCC(=O)C 62a_100000741757_100000053229 [0,1,0,0,0,1|2,0,0]=4 1216 B12R0.184 CNC(=O)CCCSCCC(=O)N 62a_100000741757_100000744528 [0,1,0,0,0,1|2,0,0]=4 1217 B12R0.184 CNC(=O)CCCSCCC(=O)N 62a_100000744528_100000741757 [0,1,0,0,0,1|2,0,0]=4 1218 B12R0.184 CNC(=O)CCNCCCC(=O)C 34a_100000738227_100000685027 [0,1,0,0,0,1|2,0,0]=4 1219 B12R0.184 CNC(=O)CCNCCCC(=O)N 34a_100000738227_100102525003 [0,1,0,0,0,1|2,0,0]=4 1220 B12R0.184 CNC(=O)CCNCCCC(=O)N 34a_100000739312_100012179268 [0,1,0,0,0,1|2,0,0]=4 1221 B12R0.184 CNC(=O)CCOCCCC(=O)C 34a_100000754576_100000685027 [0,1,0,0,0,1|2,0,0]=4 1222 B12R0.184 CNC(=O)CCOCCCC(=O)C 34a_100000759063_100012179268 [0,1,0,0,0,1|2,0,0]=4 1223 B12R0.184 CNC(=O)CCOCCCC(=O)C 7a_100000759063_100000737683 [0,1,0,0,0,1|2,0,0]=4 1224 B12R0.184 CNC(=O)CCOCCCC(=O)N 34a_100000754576_100102525003 [0,1,0,0,0,1|2,0,0]=4 1225 B12R0.184 CNC(=O)CCSCCCC(=O)C 62a_100000737683_100011215641 [0,1,0,0,0,1|2,0,0]=4 1226 B12R0.184 CNC(=O)CCSCCCC(=O)C 62a_100011215641_100000737683 [0,1,0,0,0,1|2,0,0]=4 1227 B12R0.184 CNC(=O)CCSCCCC(=O)N 62a_100000737683_100102525003 [0,1,0,0,0,1|2,0,0]=4 1228 B12R0.184 CNC(=O)CCSCCCC(=O)N 62a_100102525003_100000737683 [0,1,0,0,0,1|2,0,0]=4 1229 B12R0.184 CNC(=O)CNCCCCC(=O)N 34a_100000696515_100000183359 [0,1,0,0,0,1|2,0,0]=4 1230 B12R0.184 CNC(=O)CNCCOCC(=O)O 269956a_100000700818_100000183359 [0,1,0,0,0,1|2,0,0]=4 1231 B12R0.184 CNC(=O)COCCCCC(=O)C 34a_100000750040_100009817362 [0,1,0,0,0,1|2,0,0]=4 1232 B12R0.184 CNC(=O)COCCCCC(=O)N 34a_100012022536_100000183359 [0,1,0,0,0,1|2,0,0]=4 1233 B12R0.184 CNC(=O)COCCCCC(=O)N 7a_100012022536_100000183359 [0,1,0,0,0,1|2,0,0]=4 1234 B12R0.184 CNC(=O)CSCCCCC(=O)C 62a_100000183359_100000735457 [0,1,0,0,0,1|2,0,0]=4 1235 B12R0.184 CNC(=O)CSCCCCC(=O)C 62a_100000735457_100000183359 [0,1,0,0,0,1|2,0,0]=4 1236 B12R0.184 COC(=O)CCCCCCC(=O)C 1458a_100000036694_200000210301 [0,1,0,0,0,1|1,0,0]=3 1237 B12R0.184 COC(=O)CCCCCCC(=O)C 1458a_100000070787_100009815986 [0,1,0,0,0,1|1,0,0]=3 1238 B12R0.184 COC(=O)CCCCCCC(=O)[13CH3] 1458a_100000036694_200025704644 [0,1,0,0,0,1|1,0,0]=3 1239 B12R0.184 COC(=O)CCCCCNC(=O)C 188690a_100000184999_100015343762 [0,1,0,0,0,1|1,0,0]=3 1240 B12R0.184 COC(=O)CCCCNCC(=O)N 2230a_100000711301_100000204269 [0,1,0,0,0,1|1,0,0]=3 1241 B12R0.184 COC(=O)CCCCNCC(=O)O 269956a_100016091260_100000204269 [0,1,0,0,0,1|0,0,0]=2 1242 B12R0.184 COC(=O)CCCCNCC(C)O 2230a_100000210904_100000204269 [0,1,0,0,0,1|1,0,1]=4 1243 B12R0.184 COC(=O)CCCCNCC(C)O 34a_100000210904_100000204269 [0,1,0,0,0,1|1,0,1]=4 1244 B12R0.184 COC(=O)CCCCOCC(=O)C 34a_100000211253_100000204269 [0,1,0,0,0,1|1,0,0]=3 1245 B12R0.184 COC(=O)CCCCOCC(=O)N 34a_100000059025_100000187820 [0,1,0,0,0,1|1,0,0]=3 1246 B12R0.184 COC(=O)CCCCOCC(=O)N 7a_100000059025_100000187820 [0,1,0,0,0,1|1,0,0]=3 1247 B12R0.184 COC(=O)CCCCOCC(=O)[O-] 34a_100000059025_100020667443 [0,1,0,0,0,1|0,0,1]=3 1248 B12R0.184 COC(=O)CCCCOCC(C)O 34a_100000059025_100011218427 [0,1,0,0,0,1|1,0,1]=4 1249 B12R0.184 COC(=O)CCCCOCC(C)O 7a_100000059025_100011218427 [0,1,0,0,0,1|1,0,1]=4 1250 B12R0.184 COC(=O)CCCCOC[C@@H](C)O 34a_100000059025_100009817552 [0,1,0,0,0,1|1,0,1]=4 1251 B12R0.184 COC(=O)CCCCOC[C@@H](C)O 7a_100000059025_100009817552 [0,1,0,0,0,1|1,0,1]=4 1252 B12R0.184 COC(=O)CCCCOC[N+](=O)[O-] 34a_100000059025_100000761209 [0,1,0,0,0,1|1,0,1]=4 1253 B12R0.184 COC(=O)CCCCSCC(=O)N 62a_100000204269_100000747473 [0,1,0,0,0,1|1,0,0]=3 1254 B12R0.184 COC(=O)CCCCSCC(=O)N 62a_100000747473_100000204269 [0,1,0,0,0,1|1,0,0]=3 1255 B12R0.184 COC(=O)CCCCSCC(=O)[O-] 62a_100000204269_100020667443 [0,1,0,0,0,1|0,0,1]=3 1256 B12R0.184 COC(=O)CCCCSCC(=O)[O-] 62a_100020667443_100000204269 [0,1,0,0,0,1|0,0,1]=3 1257 B12R0.184 COC(=O)CCCCSCC(C)O 62a_100000204269_100011218427 [0,1,0,0,0,1|1,0,1]=4 1258 B12R0.184 COC(=O)CCCCSCC(C)O 62a_100011218427_100000204269 [0,1,0,0,0,1|1,0,1]=4 1259 B12R0.184 COC(=O)CCCCSC[C@@H](C)O 62a_100000204269_100009817552 [0,1,0,0,0,1|1,0,1]=4 1260 B12R0.184 COC(=O)CCCCSC[C@@H](C)O 62a_100009817552_100000204269 [0,1,0,0,0,1|1,0,1]=4 1261 B12R0.184 COC(=O)CCCCSC[N+](=O)[O-] 62a_100000204269_100000761209 [0,1,0,0,0,1|1,0,1]=4 1262 B12R0.184 COC(=O)CCCNCCC(C)O 2230a_200000755665_100011218270 [0,1,0,0,0,1|1,0,1]=4 1263 B12R0.184 COC(=O)CCCNOCC(=O)O 269956a_100000106656_100011218270 [0,1,0,0,0,1|1,0,0]=3 1264 B12R0.184 COC(=O)CCCOCCC(=O)C 34a_100000759926_100000742333 [0,1,0,0,0,1|1,0,0]=3 1265 B12R0.184 COC(=O)CCCOCCC(=O)C 7a_100000759926_100011218270 [0,1,0,0,0,1|1,0,0]=3 1266 B12R0.184 COC(=O)CCCOCCC(=O)N 34a_100000757172_100000742333 [0,1,0,0,0,1|1,0,0]=3 1267 B12R0.184 COC(=O)CCCOCCC(=O)N 7a_100000757172_100011218270 [0,1,0,0,0,1|1,0,0]=3 1268 B12R0.184 COC(=O)CCCSCCC(=O)C 62a_100000053229_100011218270 [0,1,0,0,0,1|1,0,0]=3 1269 B12R0.184 COC(=O)CCCSCCC(=O)C 62a_100011218270_100000053229 [0,1,0,0,0,1|1,0,0]=3 1270 B12R0.184 COC(=O)CCCSCCC(=O)N 62a_100000744528_100011218270 [0,1,0,0,0,1|1,0,0]=3 1271 B12R0.184 COC(=O)CCCSCCC(=O)N 62a_100011218270_100000744528 [0,1,0,0,0,1|1,0,0]=3 1272 B12R0.184 COC(=O)CCCSCCC(C)O 62a_100011218270_100012276601 [0,1,0,0,0,1|1,0,1]=4 1273 B12R0.184 COC(=O)CCCSCCC(C)O 62a_100012276601_100011218270 [0,1,0,0,0,1|1,0,1]=4 1274 B12R0.184 COC(=O)CCCSCOC(=O)C 62a_100000076356_100011218270 [0,1,0,0,0,1|2,0,0]=4 1275 B12R0.184 COC(=O)CCCSCOC(=O)C 62a_100011218270_100000076356 [0,1,0,0,0,1|2,0,0]=4 1276 B12R0.184 COC(=O)CCNCCCC(=O)N 34a_100000739312_100000742370 [0,1,0,0,0,1|1,0,0]=3 1277 B12R0.184 COC(=O)CCNCCCS(=O)C 2230a_200000753449_100000204255 [0,1,0,0,0,1|2,0,0]=4 1278 B12R0.184 COC(=O)CCNCCNC(=O)C 2230a_100000209853_100000204255 [0,1,0,0,0,1|2,0,0]=4 1279 B12R0.184 COC(=O)CCNCCNC(=O)N 34a_100020590234_100000742370 [0,1,0,0,0,1|2,0,0]=4 1280 B12R0.184 COC(=O)CCOCCCC(=O)C 34a_100000759063_100000742370 [0,1,0,0,0,1|1,0,0]=3 1281 B12R0.184 COC(=O)CCOCCCC(=O)C 7a_100000759063_100000204255 [0,1,0,0,0,1|1,0,0]=3 1282 B12R0.184 COC(=O)CCOCCC[N+](=O)[O-] 34a_200000037920_100000742370 [0,1,0,0,0,1|1,0,1]=4 1283 B12R0.184 COC(=O)CCOCCNC(=O)C 188690a_100102954618_100015343762 [0,1,0,0,0,1|2,0,0]=4 1284 B12R0.184 COC(=O)CCOCCNC(=O)C 34a_100000158858_100000742370 [0,1,0,0,0,1|2,0,0]=4 1285 B12R0.184 COC(=O)CCOCCNC(=O)N 34a_100000181757_100000742370 [0,1,0,0,0,1|2,0,0]=4 1286 B12R0.184 COC(=O)CCOCCOC(=O)N 7a_100000766696_100000204255 [0,1,0,0,0,1|2,0,0]=4 1287 B12R0.184 COC(=O)CCSCCCC(=O)C 62a_100000204255_100011215641 [0,1,0,0,0,1|1,0,0]=3 1288 B12R0.184 COC(=O)CCSCCCC(=O)C 62a_100011215641_100000204255 [0,1,0,0,0,1|1,0,0]=3 1289 B12R0.184 COC(=O)CCSCCCC(=O)N 62a_100000204255_100102525003 [0,1,0,0,0,1|1,0,0]=3 1290 B12R0.184 COC(=O)CCSCCCC(=O)N 62a_100102525003_100000204255 [0,1,0,0,0,1|1,0,0]=3 1291 B12R0.184 COC(=O)CCSCCCC(C)O 62a_100000204255_200000718107 [0,1,0,0,0,1|1,0,1]=4 1292 B12R0.184 COC(=O)CCSCCCC(C)O 62a_200000718107_100000204255 [0,1,0,0,0,1|1,0,1]=4 1293 B12R0.184 COC(=O)CCSCCNC(=O)C 62a_100000189650_100000204255 [0,1,0,0,0,1|2,0,0]=4 1294 B12R0.184 COC(=O)CCSCCNC(=O)C 62a_100000204255_100000189650 [0,1,0,0,0,1|2,0,0]=4 1295 B12R0.184 COC(=O)CCSCCNC(=O)N 62a_100000204255_200000034859 [0,1,0,0,0,1|2,0,0]=4 1296 B12R0.184 COC(=O)CCSCCNC(=O)N 62a_200000034859_100000204255 [0,1,0,0,0,1|2,0,0]=4 1297 B12R0.184 COC(=O)CCSCCOC(=O)C 62a_100000204255_100009814007 [0,1,0,0,0,1|2,0,0]=4 1298 B12R0.184 COC(=O)CCSCCOC(=O)C 62a_100009814007_100000204255 [0,1,0,0,0,1|2,0,0]=4 1299 B12R0.184 COC(=O)CCSCCOC(=O)N 62a_100000204255_200011214921 [0,1,0,0,0,1|2,0,0]=4 1300 B12R0.184 COC(=O)CCSCCOC(=O)N 62a_200011214921_100000204255 [0,1,0,0,0,1|2,0,0]=4 1301 B12R0.184 COC(=O)CNCCCCC(=O)N 34a_100000696515_100000747449 [0,1,0,0,0,1|1,0,0]=3 1302 B12R0.184 COC(=O)CNCCCNC(=O)C 34a_100000736810_100000747449 [0,1,0,0,0,1|2,0,0]=4 1303 B12R0.184 COC(=O)CNCCOCC(=O)O 269956a_100000700818_100000747449 [0,1,0,0,0,1|1,0,0]=3 1304 B12R0.184 COC(=O)COCCCCC(=O)N 34a_100012022536_100000747449 [0,1,0,0,0,1|1,0,0]=3 1305 B12R0.184 COC(=O)COCCCCC(=O)N 7a_100012022536_100000747449 [0,1,0,0,0,1|1,0,0]=3 1306 B12R0.184 COC(=O)COCCCC[N+](=O)[O-] 34a_200015379883_100000747449 [0,1,0,0,0,1|1,0,1]=4 1307 B12R0.184 COC(=O)COCCCC[N+](=O)[O-] 7a_200015379883_100000747449 [0,1,0,0,0,1|1,0,1]=4 1308 B12R0.184 COC(=O)COCCCNC(=O)C 34a_100000752032_100000747449 [0,1,0,0,0,1|2,0,0]=4 1309 B12R0.184 COC(=O)COCCNCC(=O)N 2230a_100000711301_100000090808 [0,1,0,0,0,1|2,0,0]=4 1310 B12R0.184 COC(=O)COCCOCC(=O)C 34a_100000211253_100000090808 [0,1,0,0,0,1|2,0,0]=4 1311 B12R0.184 COC(=O)COCCSCC(=O)N 62a_100000090808_100000747473 [0,1,0,0,0,1|2,0,0]=4 1312 B12R0.184 COC(=O)COCCSCC(=O)N 62a_100000747473_100000090808 [0,1,0,0,0,1|2,0,0]=4 1313 B12R0.184 COC(=O)COCCSCC(=O)[O-] 62a_100000090808_100020667443 [0,1,0,0,0,1|1,0,1]=4 1314 B12R0.184 COC(=O)COCCSCC(=O)[O-] 62a_100020667443_100000090808 [0,1,0,0,0,1|1,0,1]=4 1315 B12R0.184 COC(=O)CSCCCCB(O)O 62a_100000747449_200009817182 [0,1,0,0,0,1|1,0,1]=4 1316 B12R0.184 COC(=O)CSCCCCB(O)O 62a_200009817182_100000747449 [0,1,0,0,0,1|1,0,1]=4 1317 B12R0.184 COC(=O)CSCCCCC(=O)C 62a_100000735457_100000747449 [0,1,0,0,0,1|1,0,0]=3 1318 B12R0.184 COC(=O)CSCCCCC(=O)C 62a_100000747449_100000735457 [0,1,0,0,0,1|1,0,0]=3 1319 B12R0.184 COC(=O)CSCCCOC(=O)C 62a_100000042594_100000747449 [0,1,0,0,0,1|2,0,0]=4 1320 B12R0.184 COC(=O)CSCCCOC(=O)C 62a_100000747449_100000042594 [0,1,0,0,0,1|2,0,0]=4 1321 B12R0.184 COC(=O)CSCCCSC(=O)C 62a_100000038929_100000747449 [0,1,0,0,0,1|2,0,0]=4 1322 B12R0.184 COC(=O)CSCCCSC(=O)C 62a_100000747449_100000038929 [0,1,0,0,0,1|2,0,0]=4 1323 B12R0.184 COC(=O)CSCCOCC(=O)N 62a_100000076697_100000747449 [0,1,0,0,0,1|2,0,0]=4 1324 B12R0.184 COC(=O)CSCCOCC(=O)N 62a_100000747449_100000076697 [0,1,0,0,0,1|2,0,0]=4 1325 B12R0.184 COC(=O)NCCOCCC(=O)N 34a_100000757965_100000731001 [0,1,0,0,0,1|2,0,0]=4 1326 B12R0.184 COC(=O)OCCOCCC(=O)N 34a_100010262106_100000731001 [0,1,0,0,0,1|2,0,0]=4 1327 B12R0.184 COC(=O)OCSCCCC(=O)C 62a_100011215641_100000139417 [0,1,0,0,0,1|2,0,0]=4 1328 B12R0.184 COC(=O)OCSCCCC(=O)N 62a_100102525003_100000139417 [0,1,0,0,0,1|2,0,0]=4 1329 B12R0.184 NC(=O)CCCOCCC(=NO)N 34a_100000749954_100102525003 [0,1,0,0,0,1|2,0,0]=4 1330 B12R0.184 NNC(=O)CCCOCCC(=O)N 34a_100000211488_100000731001 [0,1,0,0,0,1|2,0,0]=4 1331 B12R0.184 O=C(CO)CCCCCCB(O)O 1458a_100000210174_100009817187 [0,1,0,0,0,1|1,0,1]=4 1332 B12R0.270 C=C(C)CCNCC(O)CC(=O)O 269956a_100011218706_100000730704 [0,1,0,0,0,1|2,0,0]=4 1333 B12R0.270 CC(=O)CCCCC(=O)CC(=O)N 1458a_100134613110_100000735457 [0,1,0,0,0,1|2,0,0]=4 1334 B12R0.270 CC(=O)CCCCN(C)CC(=O)O 269956a_100000746989_100000735457 [0,1,0,0,0,1|1,0,0]=3 1335 B12R0.270 CC(=O)CCNCC(O)CC(=O)O 269956a_100011218706_100000053229 [0,1,0,0,0,1|1,0,0]=3 1336 B12R0.270 CC(=O)OCCCN(C)CC(=O)O 269956a_100000746989_100000042594 [0,1,0,0,0,1|2,0,0]=4 1337 B12R0.270 CC(=O)OCNCC(O)CC(=O)O 269956a_100011218706_100000076356 [0,1,0,0,0,1|2,0,0]=4 1338 B12R0.270 CC(=O)SCCCN(C)CC(=O)O 269956a_100000746989_100000038929 [0,1,0,0,0,1|2,0,0]=4 1339 B12R0.270 CC(O)CCNCC(O)CC(=O)O 269956a_100011218706_100012276601 [0,1,0,0,0,1|1,0,1]=4 1340 B12R0.270 CN(CCCCB(O)O)CC(=O)O 269956a_100000746989_200009817182 [0,1,0,0,0,1|1,0,1]=4 1341 B12R0.270 CN(CCOCC(=O)N)CC(=O)O 269956a_100000746989_100000076697 [0,1,0,0,0,1|2,0,0]=4 1342 B12R0.270 NC(=O)CCNCC(O)CC(=O)O 269956a_100011218706_100000744528 [0,1,0,0,0,1|1,0,0]=3 1343 B12R0.240 CCC(=O)CN(C)CCCC(=O)O 269956a_100000719178_100000747405 [0,2,0,0,0,0|2,0,0]=4 1344 B12R0.240 CNC(=O)CN(C)CCCC(=O)O 269956a_100000719178_100000183359 [0,2,0,0,0,0|2,0,0]=4 1345 B12R0.240 COC(=O)CC(=O)CCCC(=O)C 1458a_100000211351_100011215641 [0,2,0,0,0,0|1,0,1]=4 1346 B12R0.240 COC(=O)CC(=O)CCCC(=O)N 1458a_100000211351_100102525003 [0,2,0,0,0,0|1,0,1]=4 1347 B12R0.240 COC(=O)CC(=O)CNCC(=O)O 269956a_100016091260_100000210525 [0,2,0,0,0,0|1,0,1]=4 1348 B12R0.240 COC(=O)CC(C)NOCC(=O)O 269956a_100000106656_100009817358 [0,2,0,0,0,0|2,0,0]=4 1349 B12R0.240 COC(=O)CC(C)OCCC(=O)C 34a_100000759926_100009817358 [0,2,0,0,0,0|2,0,0]=4 1350 B12R0.240 COC(=O)CC(C)OCCC(=O)C 7a_100000759926_100009817358 [0,2,0,0,0,0|2,0,0]=4 1351 B12R0.240 COC(=O)CC(C)OCCC(=O)N 34a_100000757172_100009817358 [0,2,0,0,0,0|2,0,0]=4 1352 B12R0.240 COC(=O)CC(C)OCCC(=O)N 7a_100000757172_100009817358 [0,2,0,0,0,0|2,0,0]=4 1353 B12R0.240 COC(=O)CC(C)SCCC(=O)C 62a_100000053229_100009817358 [0,2,0,0,0,0|2,0,0]=4 1354 B12R0.240 COC(=O)CC(C)SCCC(=O)C 62a_100009817358_100000053229 [0,2,0,0,0,0|2,0,0]=4 1355 B12R0.240 COC(=O)CC(C)SCCC(=O)N 62a_100000744528_100009817358 [0,2,0,0,0,0|2,0,0]=4 1356 B12R0.240 COC(=O)CC(C)SCCC(=O)N 62a_100009817358_100000744528 [0,2,0,0,0,0|2,0,0]=4 1357 B12R0.240 COC(=O)CN(C)CCCC(=O)O 269956a_100000719178_100000747449 [0,2,0,0,0,0|1,0,0]=3 1358 B12R0.240 COC(=O)C[C@@H](O)CNCC(=O)O 269956a_100016091260_100000754131 [0,2,0,0,0,0|1,0,0]=3 1359 B12R0.240 COC(=O)C[C@@H](O)COCC(=O)C 34a_100000211253_100000754131 [0,2,0,0,0,0|2,0,0]=4 1360 B12R0.240 COC(=O)C[C@@H](O)CSCC(=O)N 62a_100000747473_100000754131 [0,2,0,0,0,0|2,0,0]=4 1361 B12R0.240 COC(=O)C[C@@H](O)CSCC(=O)N 62a_100000754131_100000747473 [0,2,0,0,0,0|2,0,0]=4 1362 B12R0.240 COC(=O)C[C@@H](O)CSCC(=O)[O-] 62a_100000754131_100020667443 [0,2,0,0,0,0|1,0,1]=4 1363 B12R0.240 COC(=O)C[C@@H](O)CSCC(=O)[O-] 62a_100020667443_100000754131 [0,2,0,0,0,0|1,0,1]=4 1364 B12R0.241 CCC(=O)CNCC(O)CC(=O)O 269956a_100011218706_100000747405 [0,2,0,0,0,0|2,0,0]=4 1365 B12R0.241 CNC(=O)CCCN(C)CC(=O)O 269956a_100000746989_100000741757 [0,2,0,0,0,0|2,0,0]=4 1366 B12R0.241 CNC(=O)CNCC(O)CC(=O)O 269956a_100011218706_100000183359 [0,2,0,0,0,0|2,0,0]=4 1367 B12R0.241 COC(=O)CCCC(=O)CC(=O)N 1458a_100000239890_100000187820 [0,2,0,0,0,0|1,0,1]=4 1368 B12R0.241 COC(=O)CCCC(=O)CC(=O)N 1458a_100134613110_100011218270 [0,2,0,0,0,0|1,0,1]=4 1369 B12R0.241 COC(=O)CCCC(=O)CC(=O)[O-] 1458a_100000239890_100020667443 [0,2,0,0,0,0|0,0,2]=4 1370 B12R0.241 COC(=O)CCCN(C)CC(=O)N 2230a_100000739694_100011218270 [0,2,0,0,0,0|2,0,0]=4 1371 B12R0.241 COC(=O)CCCN(C)CC(=O)N 269982a_100000739225_100000187820 [0,2,0,0,0,0|2,0,0]=4 1372 B12R0.241 COC(=O)CCCN(C)CC(=O)O 269956a_100000746989_100011218270 [0,2,0,0,0,0|1,0,0]=3 1373 B12R0.241 COC(=O)CCCN(C)CC(=O)[O-] 269982a_100000739225_100020667443 [0,2,0,0,0,0|1,0,1]=4 1374 B12R0.241 COC(=O)CNCC(O)CC(=O)O 269956a_100011218706_100000747449 [0,2,0,0,0,0|1,0,0]=3 1375 B12R0.535 CC(=O)CCN[C@H](CO)CC(=O)O 269956a_100009816507_100000053229 [0,2,0,0,0,0|2,0,0]=4 1376 B12R0.535 CCN(CCCC(=O)C)CC(=O)O 269956a_100000746405_100011215641 [0,2,0,0,0,0|2,0,0]=4 1377 B12R0.535 CCN(CCCC(=O)N)CC(=O)O 269956a_100000746405_100102525003 [0,2,0,0,0,0|2,0,0]=4 1378 B12R0.535 CC[C@H](CC(=O)O)NCCC(=O)C 269956a_100016995926_100000053229 [0,2,0,0,0,0|2,0,0]=4 1379 B12R0.535 CC[C@H](CC(=O)O)NCCC(=O)N 269956a_100016995926_100000744528 [0,2,0,0,0,0|2,0,0]=4 1380 B12R0.535 NC(=O)CCN[C@H](CO)CC(=O)O 269956a_100009816507_100000744528 [0,2,0,0,0,0|2,0,0]=4 1381 B12R0.686 CC(=O)C(C)N(C)CCCC(=O)O 269956a_100000719178_100009814033 [0,2,0,0,0,0|2,0,0]=4 1382 B12R0.686 CC(=O)CCCN(C)C(C)C(=O)O 269956a_100000749554_100011215641 [0,2,0,0,0,0|2,0,0]=4 1383 B12R0.686 CC(C(=O)O)N(C)CCCC(=O)N 269956a_100000749554_100102525003 [0,2,0,0,0,0|2,0,0]=4 1384 B12R0.687 CC(=O)C(C)NCC(O)CC(=O)O 269956a_100011218706_100009814033 [0,2,0,0,0,0|2,0,0]=4 1385 B12R0.697 CC(=O)CCNC(C)(C)CC(=O)O 269956a_100000755897_100000053229 [0,2,0,0,0,0|2,0,0]=4 1386 B12R0.697 CC(C)(CC(=O)O)NCCC(=O)N 269956a_100000755897_100000744528 [0,2,0,0,0,0|2,0,0]=4 1387 B12R0.86 COC(=O)C(C)CCNCC(=O)N 2230a_100000711301_100000034942 [0,2,0,0,0,0|2,0,0]=4 1388 B12R0.86 COC(=O)C(C)CCNCC(=O)O 269956a_100016091260_100000034942 [0,2,0,0,0,0|1,0,0]=3 1389 B12R0.86 COC(=O)C(C)CCOCC(=O)C 34a_100000211253_100000034942 [0,2,0,0,0,0|2,0,0]=4 1390 B12R0.86 COC(=O)C(C)CCSCC(=O)N 62a_100000034942_100000747473 [0,2,0,0,0,0|2,0,0]=4 1391 B12R0.86 COC(=O)C(C)CCSCC(=O)N 62a_100000747473_100000034942 [0,2,0,0,0,0|2,0,0]=4 1392 B12R0.86 COC(=O)C(C)CCSCC(=O)[O-] 62a_100000034942_100020667443 [0,2,0,0,0,0|1,0,1]=4 1393 B12R0.86 COC(=O)C(C)CCSCC(=O)[O-] 62a_100020667443_100000034942 [0,2,0,0,0,0|1,0,1]=4 1394 B12R0.86 COC(=O)C(C)COCCC(=O)C 34a_100000759926_100000698445 [0,2,0,0,0,0|2,0,0]=4 1395 B12R0.86 COC(=O)C(C)COCCC(=O)C 7a_100000749362_100000053229 [0,2,0,0,0,0|2,0,0]=4 1396 B12R0.86 COC(=O)C(C)COCCC(=O)N 34a_100000749362_100000731001 [0,2,0,0,0,0|2,0,0]=4 1397 B12R0.86 COC(=O)C(C)COCCC(=O)N 34a_100000757172_100000698445 [0,2,0,0,0,0|2,0,0]=4 1398 B12R0.86 COC(=O)C(C)COCCC(=O)N 7a_100000749362_100000744528 [0,2,0,0,0,0|2,0,0]=4 1399 B12R0.86 COC(=O)C(C)CSCCC(=O)C 62a_100000053229_100000698445 [0,2,0,0,0,0|2,0,0]=4 1400 B12R0.86 COC(=O)C(C)CSCCC(=O)C 62a_100000698445_100000053229 [0,2,0,0,0,0|2,0,0]=4 1401 B12R0.86 COC(=O)C(C)CSCCC(=O)N 62a_100000698445_100000744528 [0,2,0,0,0,0|2,0,0]=4 1402 B12R0.86 COC(=O)C(C)CSCCC(=O)N 62a_100000744528_100000698445 [0,2,0,0,0,0|2,0,0]=4 1403 B12R0.86 COC(=O)C(C)NCCCC(=O)N 34a_100000739312_100000211248 [0,2,0,0,0,0|2,0,0]=4 1404 B12R0.86 COC(=O)C(C)OCCCC(=O)C 34a_100000759063_100000211248 [0,2,0,0,0,0|2,0,0]=4 1405 B12R0.86 COC(=O)C(C)OCCCC(=O)C 34a_100011215400_100000685027 [0,2,0,0,0,0|2,0,0]=4 1406 B12R0.86 COC(=O)C(C)OCCCC(=O)C 7a_100000759063_100000211248 [0,2,0,0,0,0|2,0,0]=4 1407 B12R0.86 COC(=O)C(C)OCCCC(=O)N 34a_100011215400_100102525003 [0,2,0,0,0,0|2,0,0]=4 1408 B12R0.86 COC(=O)C(C)SCCCC(=O)C 62a_100000211248_100011215641 [0,2,0,0,0,0|2,0,0]=4 1409 B12R0.86 COC(=O)C(C)SCCCC(=O)C 62a_100011215641_100000211248 [0,2,0,0,0,0|2,0,0]=4 1410 B12R0.86 COC(=O)C(C)SCCCC(=O)N 62a_100000211248_100102525003 [0,2,0,0,0,0|2,0,0]=4 1411 B12R0.86 COC(=O)C(C)SCCCC(=O)N 62a_100102525003_100000211248 [0,2,0,0,0,0|2,0,0]=4 1412 B12R0.86 COC(=O)C(F)COCCC(=O)N 34a_200009849844_100000731001 [0,2,0,0,0,0|2,0,0]=4 1413 B12R0.86 COC(=O)[C@H](N)COCCC(=O)N 34a_100000003586_100000731001 [0,2,0,0,0,0|2,0,0]=4 1414 B12R0.186 CNC(=O)CCCN[C@@H](C)C(=O)O 269956a_100000743915_100000741757 [0,2,0,0,0,0|2,0,0]=4 1415 B12R0.186 CNC(=O)CCNCC(C)C(=O)O 269956a_100000749485_100000737683 [0,2,0,0,0,0|2,0,0]=4 1416 B12R0.186 CNC(=O)CCNCC(F)C(=O)O 269956a_100000084737_100000737683 [0,2,0,0,0,0|2,0,0]=4 1417 B12R0.186 COC(=O)CCCN[C@@H](C)C(=O)O 269956a_100000743915_100011218270 [0,2,0,0,0,0|1,0,0]=3 1418 B12R0.186 COC(=O)CCCN[C@H](C)C(=O)N 2230a_100000119354_100011218270 [0,2,0,0,0,0|2,0,0]=4 1419 B12R0.186 COC(=O)CCCN[C@H](C)C(=O)N 34a_100000119354_100000742333 [0,2,0,0,0,0|2,0,0]=4 1420 B12R0.186 COC(=O)CCCOC(C)C(=O)C 34a_100000212229_100000742333 [0,2,0,0,0,0|2,0,0]=4 1421 B12R0.186 COC(=O)CCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100011218270 [0,2,0,0,0,0|1,0,1]=4 1422 B12R0.186 COC(=O)CCCO[C@H](C)C(=O)N 34a_100000731257_100000742333 [0,2,0,0,0,0|2,0,0]=4 1423 B12R0.186 COC(=O)CCCO[C@H](C)C(=O)N 7a_100000731257_100011218270 [0,2,0,0,0,0|2,0,0]=4 1424 B12R0.186 COC(=O)CCCSC(C)C(=O)C 62a_100009814033_100011218270 [0,2,0,0,0,0|2,0,0]=4 1425 B12R0.186 COC(=O)CCCSC(C)C(=O)C 62a_100011218270_100009814033 [0,2,0,0,0,0|2,0,0]=4 1426 B12R0.186 COC(=O)CCCSC(C)C(=O)N 62a_100000702099_100011218270 [0,2,0,0,0,0|2,0,0]=4 1427 B12R0.186 COC(=O)CCCSC(C)C(=O)N 62a_100011218270_100000702099 [0,2,0,0,0,0|2,0,0]=4 1428 B12R0.186 COC(=O)CCCSC(F)C(=O)N 62a_100009813875_100011218270 [0,2,0,0,0,0|2,0,0]=4 1429 B12R0.186 COC(=O)CCCSC(F)C(=O)N 62a_100011218270_100009813875 [0,2,0,0,0,0|2,0,0]=4 1430 B12R0.186 COC(=O)CCCSC(F)C(=O)[O-] 62a_100011218270_100020610796 [0,2,0,0,0,0|1,0,1]=4 1431 B12R0.186 COC(=O)CCCSC(F)C(=O)[O-] 62a_100020610796_100011218270 [0,2,0,0,0,0|1,0,1]=4 1432 B12R0.186 COC(=O)CCNCC(C)C(=O)O 269956a_100000749485_100000204255 [0,2,0,0,0,0|1,0,0]=3 1433 B12R0.186 COC(=O)CCNCC(F)C(=O)O 269956a_100000084737_100000204255 [0,2,0,0,0,0|1,0,0]=3 1434 B12R0.186 COC(=O)CCOCC(C)C(=O)C 34a_100000032740_100000742370 [0,2,0,0,0,0|2,0,0]=4 1435 B12R0.186 COC(=O)CCOCC(C)C(=O)C 7a_100000032740_100000204255 [0,2,0,0,0,0|2,0,0]=4 1436 B12R0.186 COC(=O)CCOC[C@H](N)C(=O)N 34a_100000729942_100000742370 [0,2,0,0,0,0|2,0,0]=4 1437 B12R0.238 C=C[C@H](NCCCC(=O)C)C(=O)O 269956a_100016992060_100011215641 [0,2,0,0,0,0|2,0,0]=4 1438 B12R0.238 C=C[C@H](NCCCC(=O)N)C(=O)O 269956a_100016992060_100102525003 [0,2,0,0,0,0|2,0,0]=4 1439 B12R0.238 CC(=O)CCCNC(CO)C(=O)O 269956a_100000187304_100011215641 [0,2,0,0,0,0|2,0,0]=4 1440 B12R0.238 CC[C@@H](NCCCC(=O)C)C(=O)O 269956a_100000747097_100011215641 [0,2,0,0,0,0|2,0,0]=4 1441 B12R0.238 CC[C@@H](NCCCC(=O)N)C(=O)O 269956a_100000747097_100102525003 [0,2,0,0,0,0|2,0,0]=4 1442 B12R0.238 NC(=O)CCCNC(CO)C(=O)O 269956a_100000187304_100102525003 [0,2,0,0,0,0|2,0,0]=4 1443 B12R0.692 CC(=O)CCNCC(C)(C)C(=O)O 269956a_100000693527_100000053229 [0,2,0,0,0,0|2,0,0]=4 1444 B12R0.692 CC(=O)CCNCC(F)(F)C(=O)O 269956a_100000734215_100000053229 [0,2,0,0,0,0|2,0,0]=4 1445 B12R0.692 CC(C)(CNCCC(=O)N)C(=O)O 269956a_100000693527_100000744528 [0,2,0,0,0,0|2,0,0]=4 1446 B12R0.692 NC(=O)CCNCC(F)(F)C(=O)O 269956a_100000734215_100000744528 [0,2,0,0,0,0|2,0,0]=4 1447 B12R0.189 COC(=O)CCN(C)CCC(=O)C 269982a_100025711912_100000053229 [0,2,0,0,0,0|2,0,0]=4 1448 B12R0.189 COC(=O)CCN(C)CCC(=O)N 2230a_100000730477_100000204255 [0,2,0,0,0,0|2,0,0]=4 1449 B12R0.189 COC(=O)CCN(C)CCC(=O)N 269982a_100025711912_100000744528 [0,2,0,0,0,0|2,0,0]=4 1450 B12R0.183 C#CC(=O)CCCCCC(=O)OC 1458a_100000211873_100009816466 [0,2,0,0,0,0|1,0,0]=3 1451 B12R0.183 C#CC(O)CCCCCC(=O)CO 1458a_100000210174_200010408556 [0,2,0,0,0,0|1,0,1]=4 1452 B12R0.183 C=CC(=O)CCCCCC(=O)OC 1458a_100000185746_100009816466 [0,2,0,0,0,0|1,0,0]=3 1453 B12R0.183 CCC(=O)CCCCCC(=O)OC 1458a_100000210414_100009816466 [0,2,0,0,0,0|1,0,0]=3 1454 B12R0.183 CCC(=O)CCCCCC(=O)OC 1458a_100009848860_100000210202 [0,2,0,0,0,0|1,0,0]=3 1455 B12R0.183 CCC(=O)COCCCC(=O)OC 34a_100000725409_100000742333 [0,2,0,0,0,0|2,0,0]=4 1456 B12R0.183 CCC(=O)CSCCCC(=O)OC 62a_100000747405_100011218270 [0,2,0,0,0,0|2,0,0]=4 1457 B12R0.183 CCC(=O)CSCCCC(=O)OC 62a_100011218270_100000747405 [0,2,0,0,0,0|2,0,0]=4 1458 B12R0.183 CCC(=O)NCCCCC(=O)OC 188690a_100000746077_100000210414 [0,2,0,0,0,0|2,0,0]=4 1459 B12R0.183 CNC(=O)CCCCCC(=O)OC 11a_106832991635_100009848860 [0,2,0,0,0,0|1,0,0]=3 1460 B12R0.183 CNC(=O)CCCCCC(=O)OC 1626a_100102657272_100009848860 [0,2,0,0,0,0|1,0,0]=3 1461 B12R0.183 CNC(=O)CCCCCC(=O)OC 240690a_100102657272_100009848860 [0,2,0,0,0,0|1,0,0]=3 1462 B12R0.183 CNC(=O)CCCNCC(=O)OC 2230a_100000740002_100000747449 [0,2,0,0,0,0|2,0,0]=4 1463 B12R0.183 CNC(=O)CCCNCC(=O)OC 34a_100000740002_100000747449 [0,2,0,0,0,0|2,0,0]=4 1464 B12R0.183 CNC(=O)CCCSCC(=O)OC 62a_100000741757_100000747449 [0,2,0,0,0,0|2,0,0]=4 1465 B12R0.183 CNC(=O)CCCSCC(=O)OC 62a_100000747449_100000741757 [0,2,0,0,0,0|2,0,0]=4 1466 B12R0.183 CNC(=O)CCNCCC(=O)OC 2230a_100000738227_100000204255 [0,2,0,0,0,0|2,0,0]=4 1467 B12R0.183 CNC(=O)CCNCCC(=O)OC 34a_100000738227_100000742370 [0,2,0,0,0,0|2,0,0]=4 1468 B12R0.183 CNC(=O)CCOCCC(=O)OC 34a_100000754576_100000742370 [0,2,0,0,0,0|2,0,0]=4 1469 B12R0.183 CNC(=O)CCSCCC(=O)OC 62a_100000204255_100000737683 [0,2,0,0,0,0|2,0,0]=4 1470 B12R0.183 CNC(=O)CCSCCC(=O)OC 62a_100000737683_100000204255 [0,2,0,0,0,0|2,0,0]=4 1471 B12R0.183 CNC(=O)CNCCCC(=O)OC 2230a_100000693194_100011218270 [0,2,0,0,0,0|2,0,0]=4 1472 B12R0.183 CNC(=O)COCCCC(=O)OC 34a_100000750040_100000742333 [0,2,0,0,0,0|2,0,0]=4 1473 B12R0.183 CNC(=O)CSCCCC(=O)OC 62a_100000183359_100011218270 [0,2,0,0,0,0|2,0,0]=4 1474 B12R0.183 CNC(=O)CSCCCC(=O)OC 62a_100011218270_100000183359 [0,2,0,0,0,0|2,0,0]=4 1475 B12R0.183 COC(=O)CCCCCC(=O)CF 1458a_100009848860_100015361967 [0,2,0,0,0,0|1,0,0]=3 1476 B12R0.183 COC(=O)CCCCCC(=O)CO 1458a_100000210174_100009816466 [0,2,0,0,0,0|0,0,0]=2 1477 B12R0.183 COC(=O)CCCCNC(=O)CO 188690a_100000746077_100000210174 [0,2,0,0,0,0|1,0,0]=3 1478 B12R0.183 COC(=O)CCCSCC(=O)OC 62a_100000747449_100011218270 [0,2,0,0,0,0|1,0,0]=3 1479 B12R0.183 COC(=O)CCCSCC(=O)OC 62a_100011218270_100000747449 [0,2,0,0,0,0|1,0,0]=3 1480 B12R0.183 COC(=O)CCOCCC(=NO)N 34a_100000749954_100000742370 [0,2,0,0,0,0|2,0,0]=4 1481 B12R0.183 COC(=O)CCSCCC(=O)OC 62a_100000204255_100000204255 [0,2,0,0,0,0|1,0,0]=3 1482 B12R0.183 COC(=O)CCSCOC(=O)OC 62a_100000204255_100000139417 [0,2,0,0,0,0|2,0,0]=4 1483 B12R0.183 COC(=O)COCCCC(=O)NN 34a_100000211488_100000747449 [0,2,0,0,0,0|2,0,0]=4 1484 B12R0.183 COC(=O)COCCNC(=O)OC 34a_100000757965_100000747449 [0,2,0,0,0,0|2,0,0]=4 1485 B12R0.183 COC(=O)COCCOC(=O)OC 34a_100010262106_100000747449 [0,2,0,0,0,0|2,0,0]=4 1486 B12R0.277 C#CCC(=O)CCCCCC(=O)N 1458a_100011220946_100009817443 [0,2,0,0,0,0|2,0,0]=4 1487 B12R0.277 C=CCC(=O)CCCCCC(=O)N 1458a_100000210193_100009817443 [0,2,0,0,0,0|2,0,0]=4 1488 B12R0.277 C=COC(=O)CNCCCC(=O)N 34a_100000739312_100000036128 [0,2,0,0,0,0|2,0,0]=4 1489 B12R0.277 C=COC(=O)COCCCC(=O)C 34a_100000759063_100000036128 [0,2,0,0,0,0|2,0,0]=4 1490 B12R0.277 C=COC(=O)CSCCCC(=O)C 62a_100000036128_100011215641 [0,2,0,0,0,0|2,0,0]=4 1491 B12R0.277 C=COC(=O)CSCCCC(=O)C 62a_100011215641_100000036128 [0,2,0,0,0,0|2,0,0]=4 1492 B12R0.277 C=COC(=O)CSCCCC(=O)N 62a_100000036128_100102525003 [0,2,0,0,0,0|2,0,0]=4 1493 B12R0.277 C=COC(=O)CSCCCC(=O)N 62a_100102525003_100000036128 [0,2,0,0,0,0|2,0,0]=4 1494 B12R0.277 CC#CC(=O)CCCCCC(=O)N 1458a_100000763181_100009817443 [0,2,0,0,0,0|2,0,0]=4 1495 B12R0.277 CC(=O)CCCOCC(=O)NCO 34a_100000759063_100000185155 [0,2,0,0,0,0|2,0,0]=4 1496 B12R0.277 CC(=O)CCCOCC(=O)NCO 7a_100000759063_100000185155 [0,2,0,0,0,0|2,0,0]=4 1497 B12R0.277 CC(=O)CCCSCC(=O)NCO 62a_100000185155_100011215641 [0,2,0,0,0,0|2,0,0]=4 1498 B12R0.277 CC(=O)CCCSCC(=O)NCO 62a_100011215641_100000185155 [0,2,0,0,0,0|2,0,0]=4 1499 B12R0.277 CC(=O)OCCCCC(=O)CCO 1458a_100011216618_100000033659 [0,2,0,0,0,0|2,0,0]=4 1500 B12R0.277 CC(=O)SCCCCC(=O)CCO 1458a_100011216618_200010402107 [0,2,0,0,0,0|2,0,0]=4 1501 B12R0.277 CC=CC(=O)CCCCCC(=O)N 1458a_100000210699_100009817443 [0,2,0,0,0,0|2,0,0]=4 1502 B12R0.277 CCCC(=O)CCCCCC(=O)N 1458a_100000211992_100009817443 [0,2,0,0,0,0|2,0,0]=4 1503 B12R0.277 CCOC(=O)CCCCCC(=O)C 1458a_100000037472_200000210301 [0,2,0,0,0,0|1,0,0]=3 1504 B12R0.277 CCOC(=O)CCCCCC(=O)C 1458a_100000070787_100000755133 [0,2,0,0,0,0|1,0,0]=3 1505 B12R0.277 CCOC(=O)CCCCCC(=O)[13CH3] 1458a_100000037472_200025704644 [0,2,0,0,0,0|1,0,0]=3 1506 B12R0.277 CCOC(=O)CCCCNC(=O)C 188690a_100000718961_100015343762 [0,2,0,0,0,0|2,0,0]=4 1507 B12R0.277 CCOC(=O)CCCNCC(=O)N 2230a_100000711301_100009991533 [0,2,0,0,0,0|2,0,0]=4 1508 B12R0.277 CCOC(=O)CCCNCC(=O)O 269956a_100016091260_100009991533 [0,2,0,0,0,0|1,0,0]=3 1509 B12R0.277 CCOC(=O)CCCOCC(=O)C 34a_100000211253_100009991533 [0,2,0,0,0,0|2,0,0]=4 1510 B12R0.277 CCOC(=O)CCCOCC(=O)N 7a_100012001163_100000187820 [0,2,0,0,0,0|2,0,0]=4 1511 B12R0.277 CCOC(=O)CCCSCC(=O)N 62a_100000747473_100009991533 [0,2,0,0,0,0|2,0,0]=4 1512 B12R0.277 CCOC(=O)CCCSCC(=O)N 62a_100009991533_100000747473 [0,2,0,0,0,0|2,0,0]=4 1513 B12R0.277 CCOC(=O)CCCSCC(=O)[O-] 62a_100009991533_100020667443 [0,2,0,0,0,0|1,0,1]=4 1514 B12R0.277 CCOC(=O)CCCSCC(=O)[O-] 62a_100020667443_100009991533 [0,2,0,0,0,0|1,0,1]=4 1515 B12R0.277 CCOC(=O)CCNOCC(=O)O 269956a_100000106656_100000765890 [0,2,0,0,0,0|2,0,0]=4 1516 B12R0.277 CCOC(=O)CCOCCC(=O)C 34a_100000759926_100000765890 [0,2,0,0,0,0|2,0,0]=4 1517 B12R0.277 CCOC(=O)CCOCCC(=O)C 7a_100000759926_100011206558 [0,2,0,0,0,0|2,0,0]=4 1518 B12R0.277 CCOC(=O)CCOCCC(=O)N 34a_100000757172_100000765890 [0,2,0,0,0,0|2,0,0]=4 1519 B12R0.277 CCOC(=O)CCOCCC(=O)N 7a_100000757172_100011206558 [0,2,0,0,0,0|2,0,0]=4 1520 B12R0.277 CCOC(=O)CCSCCC(=O)C 62a_100000053229_100000765890 [0,2,0,0,0,0|2,0,0]=4 1521 B12R0.277 CCOC(=O)CCSCCC(=O)C 62a_100000765890_100000053229 [0,2,0,0,0,0|2,0,0]=4 1522 B12R0.277 CCOC(=O)CCSCCC(=O)N 62a_100000744528_100000765890 [0,2,0,0,0,0|2,0,0]=4 1523 B12R0.277 CCOC(=O)CCSCCC(=O)N 62a_100000765890_100000744528 [0,2,0,0,0,0|2,0,0]=4 1524 B12R0.277 CCOC(=O)CNCCCC(=O)N 34a_100000739312_100000188475 [0,2,0,0,0,0|2,0,0]=4 1525 B12R0.277 CCOC(=O)COCCCC(=O)C 1458a_100000070787_100009893628 [0,2,0,0,0,0|2,0,0]=4 1526 B12R0.277 CCOC(=O)COCCCC(=O)C 34a_100000759063_100000188475 [0,2,0,0,0,0|2,0,0]=4 1527 B12R0.277 CCOC(=O)COCCCC(=O)C 7a_100000759063_100000188475 [0,2,0,0,0,0|2,0,0]=4 1528 B12R0.277 CCOC(=O)CSCCCC(=O)C 62a_100000188475_100011215641 [0,2,0,0,0,0|2,0,0]=4 1529 B12R0.277 CCOC(=O)CSCCCC(=O)C 62a_100011215641_100000188475 [0,2,0,0,0,0|2,0,0]=4 1530 B12R0.277 CCOC(=O)CSCCCC(=O)N 62a_100000188475_100102525003 [0,2,0,0,0,0|2,0,0]=4 1531 B12R0.277 CCOC(=O)CSCCCC(=O)N 62a_100102525003_100000188475 [0,2,0,0,0,0|2,0,0]=4 1532 B12R0.277 CCOC(=O)NCCNCC(=O)O 269956a_100016091260_200011445536 [0,2,0,0,0,0|2,0,0]=4 1533 B12R0.277 COCC(=O)CCCCCB(O)O 1458a_100000210968_200009817188 [0,2,0,0,0,0|1,0,1]=4 1534 B12R0.277 COCC(=O)CCCCCC(=O)N 1458a_100000210968_100009817443 [0,2,0,0,0,0|1,0,0]=3 1535 B12R0.277 COCC(=O)CCCCOC(=O)C 1458a_100000210968_100000033659 [0,2,0,0,0,0|2,0,0]=4 1536 B12R0.277 COCC(=O)CCCCSC(=O)C 1458a_100000210968_200010402107 [0,2,0,0,0,0|2,0,0]=4 1537 B12R0.277 COCC(=O)NCCCCC(=O)N 11a_100000696515_100000210968 [0,2,0,0,0,0|2,0,0]=4 1538 B12R0.277 COCC(=O)NCCCCC(=O)N 1626a_100000696515_100000210968 [0,2,0,0,0,0|2,0,0]=4 1539 B12R0.277 COCC(=O)NCCCCC(=O)N 240690a_100000696515_100000210968 [0,2,0,0,0,0|2,0,0]=4 1540 B12R0.277 COCC(=O)NCCCCC(=O)N 527a_100000696515_100000210968 [0,2,0,0,0,0|2,0,0]=4 1541 B12R0.277 CSCC(=O)CCCCCC(=O)N 1458a_100000184570_100009817443 [0,2,0,0,0,0|1,1,0]=4 1542 B12R0.277 N#CCC(=O)CCCCCC(=O)N 1458a_100051588842_100009817443 [0,2,0,0,0,0|2,0,0]=4 1543 B12R0.277 NC(=O)CCCCCC(=O)C=CBr 1458a_100016273825_100009817443 [0,2,0,0,0,0|2,0,0]=4 1544 B12R0.277 NC(=O)CCCCCC(=O)C=CCl 1458a_200016279998_100009817443 [0,2,0,0,0,0|2,0,0]=4 1545 B12R0.277 NC(=O)CCCCCC(=O)C=CI 1458a_100016256311_100009817443 [0,2,0,0,0,0|2,0,0]=4 1546 B12R0.277 NC(=O)CCCCCC(=O)CCO 1458a_100011216618_100009817443 [0,2,0,0,0,0|1,0,0]=3 1547 B12R0.277 NC(=O)CCCCNC(=O)CCO 240690a_100000696515_100011216618 [0,2,0,0,0,0|2,0,0]=4 1548 B12R0.277 NC(=O)CCCNCC(=O)NCO 34a_100000739312_100000185155 [0,2,0,0,0,0|2,0,0]=4 1549 B12R0.277 NC(=O)CCCSCC(=O)NCO 62a_100000185155_100102525003 [0,2,0,0,0,0|2,0,0]=4 1550 B12R0.277 NC(=O)CCCSCC(=O)NCO 62a_100102525003_100000185155 [0,2,0,0,0,0|2,0,0]=4 1551 B12R0.277 O=C(CCO)CCCCCB(O)O 1458a_100011216618_200009817188 [0,2,0,0,0,0|1,0,1]=4 1552 B12R0.277 O=C(CCO)CCCCC[N+](=O)[O-] 1458a_100000043470_100000211926 [0,2,0,0,0,0|1,0,1]=4 1553 B10R1.16 O=CCOC1CCC(=O)C1 34a_100012614533_200009817547 [1,0,0,1,0,0|2,0,0]=4 1554 B10R1.16 O=CCSC1COC(=O)O1 62a_200015260668_100000032252 [1,0,0,1,0,0|2,0,0]=4 1555 B10R1.18 CC(=O)CC1CCCCO1 1458a_100000070787_100000211543 [1,0,0,1,0,0|1,0,1]=4 1556 B10R1.18 CC(=O)CC1CCCCO1 1458a_100000238585_200000210301 [1,0,0,1,0,0|1,0,1]=4 1557 B10R1.18 [13CH3]C(=O)CC1CCCCO1 1458a_100000238585_200025704644 [1,0,0,1,0,0|1,0,1]=4 1558 B10R1.24 O=CCOCC1CC(=O)C1 34a_100000101936_200009817547 [1,0,0,1,0,0|2,0,0]=4 1559 B10R1.24 O=CCSCC1CC(=O)C1 62a_100009874392_200015260668 [1,0,0,1,0,0|2,0,0]=4 1560 B10R1.24 O=CCSCC1CC(=O)C1 62a_200015260668_100009874392 [1,0,0,1,0,0|2,0,0]=4 1561 B10R1.61 CC(=O)C1CCCCC1=O 1458a_100000070787_100000204591 [1,0,0,1,0,0|1,0,0]=3 1562 B10R1.61 CC(=O)C1CCCCC1O 1458a_100011803323_200000210301 [1,0,0,1,0,0|1,0,1]=4 1563 B10R1.61 CC(=O)C1CCCNC1=O 1458a_100000070787_100000687798 [1,0,0,1,0,0|2,0,0]=4 1564 B10R1.61 CC(=O)C1CCCNC1=O 1458a_100000087122_200000210301 [1,0,0,1,0,0|2,0,0]=4 1565 B10R1.61 CC(=O)C1COCCC1=O 1458a_100000070787_100012180262 [1,0,0,1,0,0|2,0,0]=4 1566 B10R1.61 CN1CCCC[C@@H]1C(=O)O 269956a_100000763471_200000210301 [1,0,0,1,0,0|2,0,0]=4 1567 B10R1.61 [13CH3]C(=O)C1CCCCC1O 1458a_100011803323_200025704644 [1,0,0,1,0,0|1,0,1]=4 1568 B10R1.61 [13CH3]C(=O)C1CCCNC1=O 1458a_100000087122_200025704644 [1,0,0,1,0,0|2,0,0]=4 1569 B10R1.61 [13CH3]N1CCCC[C@@H]1C(=O)O 269956a_100000763471_200025704644 [1,0,0,1,0,0|2,0,0]=4 1570 B10R1.64 CC(=O)CN1CCCC1=O 1458a_100000189602_200000210301 [1,0,0,1,0,0|2,0,0]=4 1571 B10R1.64 [13CH3]C(=O)CN1CCCC1=O 1458a_100000189602_200025704644 [1,0,0,1,0,0|2,0,0]=4 1572 B10R1.66 CC(=O)CCC1CCCO1 1458a_100011247709_200000210301 [1,0,0,1,0,0|1,0,1]=4 1573 B10R1.66 [13CH3]C(=O)CCC1CCCO1 1458a_100011247709_200025704644 [1,0,0,1,0,0|1,0,1]=4 1574 B10R1.86 C=CCN1CCC1C(=O)O 269956a_100000021838_100000210623 [1,0,0,1,0,0|2,0,0]=4 1575 B10R1.86 O=C(O)C1CCN1CCO 269956a_100000021838_100000211926 [1,0,0,1,0,0|1,0,1]=4 1576 B10R1.86 O=CCN1CCC1C(=O)O 269956a_100000021838_200015260668 [1,0,0,1,0,0|1,0,0]=3 1577 B10R1.117 CC(=O)CCC1CCC1=O 1458a_100000070787_200016118888 [1,0,0,1,0,0|1,0,0]=3 1578 B10R1.117 CC(=O)COC1CCC1=O 34a_100000211253_100009892977 [1,0,0,1,0,0|2,0,0]=4 1579 B10R1.117 NC(=O)CSC1CCC1=O 62a_100000747473_100009892977 [1,0,0,1,0,0|2,0,0]=4 1580 B10R1.117 NC(=O)CSC1CCC1=O 62a_100009892977_100000747473 [1,0,0,1,0,0|2,0,0]=4 1581 B10R1.117 O=C(O)CNC1CCC1=O 269956a_100016091260_100009892977 [1,0,0,1,0,0|1,0,0]=3 1582 B10R1.117 O=C([O-])CSC1CCC1=O 62a_100009892977_100020667443 [1,0,0,1,0,0|1,0,1]=4 1583 B10R1.117 O=C([O-])CSC1CCC1=O 62a_100020667443_100009892977 [1,0,0,1,0,0|1,0,1]=4 1584 B10R1.126 O=C(O)CNCCC1CO1 269956a_100016091260_100000732470 [1,0,0,1,0,0|1,0,1]=4 1585 B10R1.127 O=C(O)CNCC1CCO1 269956a_100016091260_100000103362 [1,0,0,1,0,0|1,0,1]=4 1586 B10R1.54 CC(=O)CC1CCC(=O)N1 1458a_100000026770_200000210301 [0,0,0,1,1,0|2,0,0]=4 1587 B10R1.54 CC(=O)CC1CNC(=O)O1 1458a_100000070787_100000181169 [0,0,0,1,1,0|2,0,0]=4 1588 B10R1.54 CC(=O)CC1COC(=O)O1 1458a_100000070787_100000073702 [0,0,0,1,1,0|2,0,0]=4 1589 B10R1.54 CC(=O)C[C@@H]1CCC(=O)N1 1458a_100000070787_100015189358 [0,0,0,1,1,0|2,0,0]=4 1590 B10R1.54 [13CH3]C(=O)CC1CCC(=O)N1 1458a_100000026770_200025704644 [0,0,0,1,1,0|2,0,0]=4 1591 B10R1.82 O=C(O)CNC1CC(=O)C1 269956a_100016091260_100009894365 [0,0,0,1,1,0|2,0,0]=4 1592 B10R1.113 CC(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_200000210301 [0,0,0,1,1,0|2,0,0]=4 1593 B10R1.113 [13CH3]C(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_200025704644 [0,0,0,1,1,0|2,0,0]=4 1594 B12R1.105 CC(=O)CCOC1COC(=O)O1 34a_100000759926_100000032252 [0,0,0,1,0,1|2,0,0]=4 1595 B12R1.105 CC(=O)CCSC1COC(=O)O1 62a_100000053229_100000032252 [0,0,0,1,0,1|2,0,0]=4 1596 B12R1.105 CC(=O)COCC1CNC(=O)O1 34a_100000211253_100000181169 [0,0,0,1,0,1|2,0,0]=4 1597 B12R1.105 CC(=O)COCC1COC(=O)O1 34a_100000211253_100000073702 [0,0,0,1,0,1|2,0,0]=4 1598 B12R1.105 NC(=O)CCOC1CCC(=O)C1 34a_100012614533_100000731001 [0,0,0,1,0,1|2,0,0]=4 1599 B12R1.105 NC(=O)CCOC1COC(=O)O1 34a_100000757172_100000032252 [0,0,0,1,0,1|2,0,0]=4 1600 B12R1.105 NC(=O)CCSC1COC(=O)O1 62a_100000744528_100000032252 [0,0,0,1,0,1|2,0,0]=4 1601 B12R1.105 NC(=O)CNCC1CNC(=O)O1 2230a_100000711301_100000181169 [0,0,0,1,0,1|2,0,0]=4 1602 B12R1.105 NC(=O)CNC[C@@H]1CCC(=O)N1 2230a_100000711301_100015189358 [0,0,0,1,0,1|2,0,0]=4 1603 B12R1.105 NC(=O)CNC[C@H]1CCC(=O)N1 2230a_100015423886_100000747473 [0,0,0,1,0,1|2,0,0]=4 1604 B12R1.105 NC(=O)CNC[C@H]1CCC(=O)N1 34a_100015423886_100000187820 [0,0,0,1,0,1|2,0,0]=4 1605 B12R1.105 NC(=O)COCC1CCC(=O)N1 34a_100000737831_100000187820 [0,0,0,1,0,1|2,0,0]=4 1606 B12R1.105 NC(=O)COCC1CNC(=O)O1 34a_100011315639_100000187820 [0,0,0,1,0,1|2,0,0]=4 1607 B12R1.105 NC(=O)CSCC1CNC(=O)O1 62a_100000181169_100000747473 [0,0,0,1,0,1|2,0,0]=4 1608 B12R1.105 NC(=O)CSCC1CNC(=O)O1 62a_100000747473_100000181169 [0,0,0,1,0,1|2,0,0]=4 1609 B12R1.105 NC(=O)CSCC1COC(=O)O1 62a_100000073702_100000747473 [0,0,0,1,0,1|2,0,0]=4 1610 B12R1.105 NC(=O)CSCC1COC(=O)O1 62a_100000747473_100000073702 [0,0,0,1,0,1|2,0,0]=4 1611 B12R1.105 NC(=O)CSC[C@@H]1CCC(=O)N1 62a_100000747473_100015189358 [0,0,0,1,0,1|2,0,0]=4 1612 B12R1.105 NC(=O)CSC[C@@H]1CCC(=O)N1 62a_100015189358_100000747473 [0,0,0,1,0,1|2,0,0]=4 1613 B12R1.105 O=C(O)CNCC1CNC(=O)O1 269956a_100016091260_100000181169 [0,0,0,1,0,1|1,0,0]=3 1614 B12R1.105 O=C(O)CNC[C@@H]1CCC(=O)N1 269956a_100016091260_100015189358 [0,0,0,1,0,1|1,0,0]=3 1615 B12R1.105 O=C(O)CNC[C@H]1COC(=O)N1 269956a_100016091260_100015307671 [0,0,0,1,0,1|2,0,0]=4 1616 B12R1.105 O=C([O-])CNC[C@H]1CCC(=O)N1 34a_100015423886_100020667443 [0,0,0,1,0,1|1,0,1]=4 1617 B12R1.105 O=C([O-])COCC1CCC(=O)N1 34a_100000737831_100020667443 [0,0,0,1,0,1|1,0,1]=4 1618 B12R1.105 O=C([O-])COCC1CNC(=O)O1 34a_100011315639_100020667443 [0,0,0,1,0,1|1,0,1]=4 1619 B12R1.105 O=C([O-])CSCC1CNC(=O)O1 62a_100000181169_100020667443 [0,0,0,1,0,1|1,0,1]=4 1620 B12R1.105 O=C([O-])CSCC1CNC(=O)O1 62a_100020667443_100000181169 [0,0,0,1,0,1|1,0,1]=4 1621 B12R1.105 O=C([O-])CSCC1COC(=O)O1 62a_100000073702_100020667443 [0,0,0,1,0,1|1,0,1]=4 1622 B12R1.105 O=C([O-])CSCC1COC(=O)O1 62a_100020667443_100000073702 [0,0,0,1,0,1|1,0,1]=4 1623 B12R1.105 O=C([O-])CSC[C@@H]1CCC(=O)N1 62a_100015189358_100020667443 [0,0,0,1,0,1|1,0,1]=4 1624 B12R1.105 O=C([O-])CSC[C@@H]1CCC(=O)N1 62a_100020667443_100015189358 [0,0,0,1,0,1|1,0,1]=4 1625 B12R1.220 CC(=O)CCCSC1CC(=O)C1 62a_100009894365_100011215641 [0,0,0,1,0,1|2,0,0]=4 1626 B12R1.220 CC(=O)CCOCC1CC(=O)C1 7a_100000759926_100009874392 [0,0,0,1,0,1|2,0,0]=4 1627 B12R1.220 CC(=O)CCSCC1CC(=O)C1 62a_100000053229_100009874392 [0,0,0,1,0,1|2,0,0]=4 1628 B12R1.220 CC(=O)CCSCC1CC(=O)C1 62a_100009874392_100000053229 [0,0,0,1,0,1|2,0,0]=4 1629 B12R1.220 NC(=O)CCCSC1CC(=O)C1 62a_100009894365_100102525003 [0,0,0,1,0,1|2,0,0]=4 1630 B12R1.220 NC(=O)CCOCC1CC(=O)C1 34a_100000101936_100000731001 [0,0,0,1,0,1|2,0,0]=4 1631 B12R1.220 NC(=O)CCOCC1CC(=O)C1 7a_100000757172_100009874392 [0,0,0,1,0,1|2,0,0]=4 1632 B12R1.220 NC(=O)CCSCC1CC(=O)C1 62a_100000744528_100009874392 [0,0,0,1,0,1|2,0,0]=4 1633 B12R1.220 NC(=O)CCSCC1CC(=O)C1 62a_100009874392_100000744528 [0,0,0,1,0,1|2,0,0]=4 1634 B12R1.220 O=C(O)CONCC1CC(=O)C1 269956a_100000106656_100009874392 [0,0,0,1,0,1|2,0,0]=4 1635 B12R1.226 NC(=O)COC1CCCC(=O)C1 34a_100012613340_100000187820 [0,0,0,1,0,1|2,0,0]=4 1636 B12R1.226 O=C([O-])COC1CCCC(=O)C1 34a_100012613340_100020667443 [0,0,0,1,0,1|1,0,1]=4 1637 B12R1.261 CC(=O)C1CCCCN1C(=O)C 1458a_100000195068_200000210301 [0,0,0,1,0,1|2,0,0]=4 1638 B12R1.261 CC(=O)N1CCCCC1C(=O)N 1626a_100000181395_100015343762 [0,0,0,1,0,1|2,0,0]=4 1639 B12R1.261 CC(=O)N1CCCCC1C(=O)N 527a_100000181395_100103153847 [0,0,0,1,0,1|2,0,0]=4 1640 B12R1.261 CC(=O)N1CCCCC1C(=O)[13CH3] 1458a_100000195068_200025704644 [0,0,0,1,0,1|2,0,0]=4 1641 B12R1.261 CC(=O)[C@@H]1CCCC[C@H]1C(=O)N 1458a_200009911122_200000210301 [0,0,0,1,0,1|2,0,0]=4 1642 B12R1.261 [13CH3]C(=O)[C@@H]1CCCC[C@H]1C(=O)N 1458a_200009911122_200025704644 [0,0,0,1,0,1|2,0,0]=4 1643 B12R1.392 C=C(C)CN1CCC[C@H]1C(=O)O 269956a_100000743916_100000748629 [0,0,0,1,0,1|2,0,0]=4 1644 B12R1.392 C=C(F)CN1CCC[C@H]1C(=O)O 269956a_100000743916_100000042424 [0,0,0,1,0,1|2,0,0]=4 1645 B12R1.392 CC(O)CN1CCC[C@H]1C(=O)O 269956a_100000743916_100011218427 [0,0,0,1,0,1|1,0,1]=4 1646 B12R1.392 C[C@@H](O)CN1CCC[C@H]1C(=O)O 269956a_100000743916_100009817552 [0,0,0,1,0,1|1,0,1]=4 1647 B12R1.392 NC(=O)CN1CCC[C@H]1C(=O)N 2230a_100000003125_100000747473 [0,0,0,1,0,1|2,0,0]=4 1648 B12R1.392 NC(=O)CN1CCC[C@H]1C(=O)O 269956a_100000743916_100000187820 [0,0,0,1,0,1|1,0,0]=3 1649 B12R1.392 NC(=O)CN1CCSC1C(=O)O 269956a_100000035718_100000187820 [0,0,0,1,0,1|2,0,0]=4 1650 B12R1.392 NC(=O)CN1CSC[C@H]1C(=O)O 269956a_100000743924_100000187820 [0,0,0,1,0,1|2,0,0]=4 1651 B12R1.392 O=C(O)[C@@H]1CCCN1C[N+](=O)[O-] 269956a_100000743916_100000761209 [0,0,0,1,0,1|1,0,1]=4 1652 B12R1.392 O=C([O-])CN1CCC[C@H]1C(=O)O 269956a_100000743916_100020667443 [0,0,0,1,0,1|0,0,1]=3 1653 B12R1.392 O=C([O-])CN1CCSC1C(=O)O 269956a_100000035718_100020667443 [0,0,0,1,0,1|1,0,1]=4 1654 B12R1.392 O=C([O-])CN1CSC[C@H]1C(=O)O 269956a_100000743924_100020667443 [0,0,0,1,0,1|1,0,1]=4 1655 B12R1.1804 C=C(C)CCN1CCC1C(=O)O 269956a_100000021838_100000730704 [0,0,0,1,0,1|2,0,0]=4 1656 B12R1.1804 CC(=O)CCN1CCC1C(=O)O 269956a_100000021838_100000053229 [0,0,0,1,0,1|1,0,0]=3 1657 B12R1.1804 CC(=O)OCN1CCC1C(=O)O 269956a_100000021838_100000076356 [0,0,0,1,0,1|2,0,0]=4 1658 B12R1.1804 CC(O)CCN1CCC1C(=O)O 269956a_100000021838_100012276601 [0,0,0,1,0,1|1,0,1]=4 1659 B12R1.1804 NC(=O)CCN1CCC1C(=O)O 269956a_100000021838_100000744528 [0,0,0,1,0,1|1,0,0]=3 1660 B12R1.103 NC(=O)CC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000187820 [0,1,0,1,0,0|1,0,1]=4 1661 B12R1.103 O=C([O-])CC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100020667443 [0,1,0,1,0,0|0,0,2]=4 1662 B12R1.1061 CN(CC(=O)O)CC1CC(=O)C1 269956a_100000746989_100009874392 [0,1,0,1,0,0|2,0,0]=4 1663 B12R1.1394 NC(=O)CN1CC(C1)CC(=O)O 269956a_100016993960_100000187820 [0,1,0,1,0,0|2,0,0]=4 1664 B12R1.1394 O=C([O-])CN1CC(C1)CC(=O)O 269956a_100016993960_100020667443 [0,1,0,1,0,0|1,0,1]=4 1665 B12R1.229 O=C(O)CNCCC1CCC1=O 269956a_100016091260_200016118888 [0,1,0,1,0,0|2,0,0]=4 1666 B12R1.1039 CC(CNC1CC(=O)C1)C(=O)O 269956a_100000749485_100009894365 [0,1,0,1,0,0|2,0,0]=4 1667 B12R1.1039 C[C@H](NCC1CC(=O)C1)C(=O)O 269956a_100000743915_100009874392 [0,1,0,1,0,0|2,0,0]=4 1668 B12R1.1039 O=C1CC(C1)NCC(F)C(=O)O 269956a_100000084737_100009894365 [0,1,0,1,0,0|2,0,0]=4 1669 B12R1.1344 NC(=O)CN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100000187820 [0,1,0,1,0,0|2,0,0]=4 1670 B12R1.1344 O=C([O-])CN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100020667443 [0,1,0,1,0,0|1,0,1]=4 1671 B12R1.1382 CC(=O)C(C)N1CCC1C(=O)O 269956a_100000021838_100009814033 [0,1,0,1,0,0|2,0,0]=4 1672 B12R1.26 COC(=O)COC1CCC(=O)C1 34a_100012614533_100000747449 [0,1,0,1,0,0|2,0,0]=4 1673 B12R1.26 COC(=O)CSC1COC(=O)O1 62a_100000747449_100000032252 [0,1,0,1,0,0|2,0,0]=4 1674 B12R1.26 O=C(CO)CCC1COS(=O)O1 1458a_100000210174_100009840081 [0,1,0,1,0,0|2,0,0]=4 1675 B12R1.26 O=C(CO)NC[C@H]1CCC(=O)N1 240690a_100015423886_100000210174 [0,1,0,1,0,0|2,0,0]=4 1676 B12R1.26 O=C(CO)NC[C@H]1CCC(=O)N1 527a_100015423886_100000210174 [0,1,0,1,0,0|2,0,0]=4 1677 B12R1.368 COC(=O)[C@@H]1CCCN1C(=O)C 11a_100000752040_100015343762 [0,1,0,1,0,0|2,0,0]=4 1678 B12R1.368 COC(=O)[C@@H]1CCCN1C(=O)C 1626a_100000752040_100015343762 [0,1,0,1,0,0|2,0,0]=4 1679 B12R1.368 COC(=O)[C@@H]1CCCN1C(=O)C 240690a_100000752040_100015343762 [0,1,0,1,0,0|2,0,0]=4 1680 B12R1.368 COC(=O)[C@@H]1CCCN1C(=O)C 527a_100000752040_100103153847 [0,1,0,1,0,0|2,0,0]=4 1681 B12R1.368 NC(=O)[C@@H]1CCCN1C(=O)CO 240690a_100000003125_100000210174 [0,1,0,1,0,0|2,0,0]=4 1682 B12R1.368 NC(=O)[C@@H]1CCCN1C(=O)CO 527a_100000003125_100000210174 [0,1,0,1,0,0|2,0,0]=4 1683 B12R1.394 COC(=O)CCSC1CC(=O)C1 62a_100009894365_100000204255 [0,1,0,1,0,0|2,0,0]=4 1684 B12R1.394 COC(=O)COCC1CC(=O)C1 34a_100000101936_100000747449 [0,1,0,1,0,0|2,0,0]=4 1685 B12R1.394 COC(=O)CSCC1CC(=O)C1 62a_100000747449_100009874392 [0,1,0,1,0,0|2,0,0]=4 1686 B12R1.394 COC(=O)CSCC1CC(=O)C1 62a_100009874392_100000747449 [0,1,0,1,0,0|2,0,0]=4 1687 B12R1.1651 COC(=O)C1CN1CCC(=O)N 2230a_200009830135_100000744528 [0,1,0,1,0,0|2,0,0]=4 1688 B12R1.1668 CCC(=O)CN1CCC1C(=O)O 269956a_100000021838_100000747405 [0,1,0,1,0,0|2,0,0]=4 1689 B12R1.1668 CNC(=O)CN1CCC1C(=O)O 269956a_100000021838_100000183359 [0,1,0,1,0,0|2,0,0]=4 1690 B12R1.1668 COC(=O)CN1CCC1C(=O)O 269956a_100000021838_100000747449 [0,1,0,1,0,0|1,0,0]=3 1691 B12R1.1708 COC(=O)[C@@H]1CCN1CC(=O)N 2230a_102516456887_100000747473 [0,1,0,1,0,0|2,0,0]=4 1692 B12R1.1708 COC(=O)[C@@H]1CCN1CC(=O)N 269982a_102516456887_100000187820 [0,1,0,1,0,0|2,0,0]=4 1693 B12R1.1708 COC(=O)[C@@H]1CCN1CC(=O)[O-] 269982a_102516456887_100020667443 [0,1,0,1,0,0|1,0,1]=4 1694 B12R2.1145 CC(=O)[C@@H]1C[C@@H]2CC1C(=O)O2 1458a_200045396503_200000210301 [0,0,0,2,0,0|1,0,0]=3 1695 B12R2.1145 CC(=O)[C@@H]1C[C@@H]2C[C@H]1C(=O)O2 1458a_200121570381_200000210301 [0,0,0,2,0,0|1,0,0]=3 1696 B12R2.1145 [13CH3]C(=O)[C@@H]1C[C@@H]2CC1C(=O)O2 1458a_200045396503_200025704644 [0,0,0,2,0,0|1,0,0]=3 1697 B12R2.1145 [13CH3]C(=O)[C@@H]1C[C@@H]2C[C@H]1C(=O)O2 1458a_200121570381_200025704644 [0,0,0,2,0,0|1,0,0]=3 1698 B8R0.28 CC(=O)CCCC(=O)C 1458a_100000070787_100011215641 [0,0,0,0,2,0|2,0,0]=4 1699 B8R0.28 CC(=O)CCCC(=O)N 1458a_100000070787_100102525003 [0,0,0,0,2,0|2,0,0]=4 1700 B8R0.28 NC(=O)CNCC(=O)O 269956a_100016091260_100000187820 [0,0,0,0,2,0|2,0,0]=4 1701 B8R0.28 O=C([O-])CNCC(=O)O 269956a_100016091260_100020667443 [0,0,0,0,2,0|1,0,1]=4 1702 B12R0.268 C=C(C)CCNCCOCC(=O)O 269956a_100000700818_100000730704 [0,0,0,0,0,2|2,0,0]=4 1703 B12R0.268 CC(=O)CCCCNOCC(=O)O 269956a_100000106656_100000735457 [0,0,0,0,0,2|1,0,0]=3 1704 B12R0.268 CC(=O)CCCCOCCC(=O)C 34a_100000759926_100009817362 [0,0,0,0,0,2|2,0,0]=4 1705 B12R0.268 CC(=O)CCCCOCCC(=O)C 7a_100000759926_100000735457 [0,0,0,0,0,2|2,0,0]=4 1706 B12R0.268 CC(=O)CCCCOCCC(=O)N 34a_100000757172_100009817362 [0,0,0,0,0,2|2,0,0]=4 1707 B12R0.268 CC(=O)CCCCOCCC(=O)N 7a_100000757172_100000735457 [0,0,0,0,0,2|2,0,0]=4 1708 B12R0.268 CC(=O)CCCCSCCC(=O)C 62a_100000053229_100000735457 [0,0,0,0,0,2|2,0,0]=4 1709 B12R0.268 CC(=O)CCCCSCCC(=O)C 62a_100000735457_100000053229 [0,0,0,0,0,2|2,0,0]=4 1710 B12R0.268 CC(=O)CCCCSCCC(=O)N 62a_100000735457_100000744528 [0,0,0,0,0,2|2,0,0]=4 1711 B12R0.268 CC(=O)CCCCSCCC(=O)N 62a_100000744528_100000735457 [0,0,0,0,0,2|2,0,0]=4 1712 B12R0.268 CC(=O)CCCCSCOC(=O)C 62a_100000076356_100000735457 [0,0,0,0,0,2|2,0,0]=4 1713 B12R0.268 CC(=O)CCCCSCOC(=O)C 62a_100000735457_100000076356 [0,0,0,0,0,2|2,0,0]=4 1714 B12R0.268 CC(=O)CCCNCCCC(=O)N 34a_100000739312_100000685027 [0,0,0,0,0,2|2,0,0]=4 1715 B12R0.268 CC(=O)CCCNCCNC(=O)N 34a_100020590234_100000685027 [0,0,0,0,0,2|2,0,0]=4 1716 B12R0.268 CC(=O)CCCOCCCC(=O)C 34a_100000759063_100000685027 [0,0,0,0,0,2|2,0,0]=4 1717 B12R0.268 CC(=O)CCCOCCCC(=O)C 7a_100000759063_100011215641 [0,0,0,0,0,2|2,0,0]=4 1718 B12R0.268 CC(=O)CCCOCCCC(=O)N 34a_100000759063_100102525003 [0,0,0,0,0,2|2,0,0]=4 1719 B12R0.268 CC(=O)CCCOCCCC(=O)N 7a_100000759063_100102525003 [0,0,0,0,0,2|2,0,0]=4 1720 B12R0.268 CC(=O)CCCOCCNC(=O)C 34a_100000158858_100000685027 [0,0,0,0,0,2|2,0,0]=4 1721 B12R0.268 CC(=O)CCCOCCNC(=O)C 7a_100000759063_100000189650 [0,0,0,0,0,2|2,0,0]=4 1722 B12R0.268 CC(=O)CCCOCCNC(=O)N 34a_100000181757_100000685027 [0,0,0,0,0,2|2,0,0]=4 1723 B12R0.268 CC(=O)CCCOCCNC(=O)N 7a_100000759063_200000034859 [0,0,0,0,0,2|2,0,0]=4 1724 B12R0.268 CC(=O)CCCOCCOC(=O)C 34a_100000759063_100009814007 [0,0,0,0,0,2|2,0,0]=4 1725 B12R0.268 CC(=O)CCCOCCOC(=O)C 7a_100000759063_100009814007 [0,0,0,0,0,2|2,0,0]=4 1726 B12R0.268 CC(=O)CCCOCCOC(=O)N 34a_100000759063_200011214921 [0,0,0,0,0,2|2,0,0]=4 1727 B12R0.268 CC(=O)CCCOCCOC(=O)N 7a_100000759063_200011214921 [0,0,0,0,0,2|2,0,0]=4 1728 B12R0.268 CC(=O)CCCOCCOC(=O)N 7a_100000766696_100011215641 [0,0,0,0,0,2|2,0,0]=4 1729 B12R0.268 CC(=O)CCCSCCCC(=O)C 62a_100011215641_100011215641 [0,0,0,0,0,2|2,0,0]=4 1730 B12R0.268 CC(=O)CCCSCCCC(=O)N 62a_100011215641_100102525003 [0,0,0,0,0,2|2,0,0]=4 1731 B12R0.268 CC(=O)CCCSCCCC(=O)N 62a_100102525003_100011215641 [0,0,0,0,0,2|2,0,0]=4 1732 B12R0.268 CC(=O)CCCSCCNC(=O)C 62a_100000189650_100011215641 [0,0,0,0,0,2|2,0,0]=4 1733 B12R0.268 CC(=O)CCCSCCNC(=O)C 62a_100011215641_100000189650 [0,0,0,0,0,2|2,0,0]=4 1734 B12R0.268 CC(=O)CCCSCCNC(=O)N 62a_100011215641_200000034859 [0,0,0,0,0,2|2,0,0]=4 1735 B12R0.268 CC(=O)CCCSCCNC(=O)N 62a_200000034859_100011215641 [0,0,0,0,0,2|2,0,0]=4 1736 B12R0.268 CC(=O)CCCSCCOC(=O)C 62a_100009814007_100011215641 [0,0,0,0,0,2|2,0,0]=4 1737 B12R0.268 CC(=O)CCCSCCOC(=O)C 62a_100011215641_100009814007 [0,0,0,0,0,2|2,0,0]=4 1738 B12R0.268 CC(=O)CCCSCCOC(=O)N 62a_100011215641_200011214921 [0,0,0,0,0,2|2,0,0]=4 1739 B12R0.268 CC(=O)CCCSCCOC(=O)N 62a_200011214921_100011215641 [0,0,0,0,0,2|2,0,0]=4 1740 B12R0.268 CC(=O)CCNCCOCC(=O)O 269956a_100000700818_100000053229 [0,0,0,0,0,2|1,0,0]=3 1741 B12R0.268 CC(=O)CCOCCCCC(=O)N 7a_100012022536_100000053229 [0,0,0,0,0,2|2,0,0]=4 1742 B12R0.268 CC(=O)CCOCCCOC(=O)C 34a_100000759926_100000042594 [0,0,0,0,0,2|2,0,0]=4 1743 B12R0.268 CC(=O)CCOCCCOC(=O)C 7a_100000759926_100000042594 [0,0,0,0,0,2|2,0,0]=4 1744 B12R0.268 CC(=O)CCOCCCSC(=O)C 34a_100000759926_100000038929 [0,0,0,0,0,2|2,0,0]=4 1745 B12R0.268 CC(=O)CCOCCCSC(=O)C 7a_100000759926_100000038929 [0,0,0,0,0,2|2,0,0]=4 1746 B12R0.268 CC(=O)CCOCCOCC(=O)N 34a_100000759926_100000076697 [0,0,0,0,0,2|2,0,0]=4 1747 B12R0.268 CC(=O)CCOCCOCC(=O)N 7a_100000759926_100000076697 [0,0,0,0,0,2|2,0,0]=4 1748 B12R0.268 CC(=O)CCSCCCOC(=O)C 62a_100000042594_100000053229 [0,0,0,0,0,2|2,0,0]=4 1749 B12R0.268 CC(=O)CCSCCCOC(=O)C 62a_100000053229_100000042594 [0,0,0,0,0,2|2,0,0]=4 1750 B12R0.268 CC(=O)CCSCCCSC(=O)C 62a_100000038929_100000053229 [0,0,0,0,0,2|2,0,0]=4 1751 B12R0.268 CC(=O)CCSCCCSC(=O)C 62a_100000053229_100000038929 [0,0,0,0,0,2|2,0,0]=4 1752 B12R0.268 CC(=O)CCSCCOCC(=O)N 62a_100000053229_100000076697 [0,0,0,0,0,2|2,0,0]=4 1753 B12R0.268 CC(=O)CCSCCOCC(=O)N 62a_100000076697_100000053229 [0,0,0,0,0,2|2,0,0]=4 1754 B12R0.268 CC(=O)COCCCCCC(=O)N 34a_100000211253_100009817443 [0,0,0,0,0,2|2,0,0]=4 1755 B12R0.268 CC(=O)COCCCCOC(=O)C 34a_100000211253_100000033659 [0,0,0,0,0,2|2,0,0]=4 1756 B12R0.268 CC(=O)COCCCCSC(=O)C 34a_100000211253_200010402107 [0,0,0,0,0,2|2,0,0]=4 1757 B12R0.268 CC(=O)NCCCCCNC(=O)C 1626a_200012022750_100015343762 [0,0,0,0,0,2|2,0,0]=4 1758 B12R0.268 CC(=O)NCCCCCNC(=O)C 240690a_200012022750_100015343762 [0,0,0,0,0,2|2,0,0]=4 1759 B12R0.268 CC(=O)NCCCCCNC(=O)C 527a_200012022750_100103153847 [0,0,0,0,0,2|2,0,0]=4 1760 B12R0.268 CC(=O)NCCCCNCC(=O)N 2230a_200011368371_100000747473 [0,0,0,0,0,2|2,0,0]=4 1761 B12R0.268 CC(=O)NCCCCNCC(=O)N 34a_200011368371_100000187820 [0,0,0,0,0,2|2,0,0]=4 1762 B12R0.268 CC(=O)NCCCCNCC(=O)[O-] 34a_200011368371_100020667443 [0,0,0,0,0,2|1,0,1]=4 1763 B12R0.268 CC(=O)NCCCNCCC(=O)N 34a_100000736810_100000731001 [0,0,0,0,0,2|2,0,0]=4 1764 B12R0.268 CC(=O)NCCCOCCC(=O)N 34a_100000752032_100000731001 [0,0,0,0,0,2|2,0,0]=4 1765 B12R0.268 CC(=O)NCCOCCCC(=O)N 34a_100000158858_100102525003 [0,0,0,0,0,2|2,0,0]=4 1766 B12R0.268 CC(=O)NCCSCCCC(=O)N 62a_100000189650_100102525003 [0,0,0,0,0,2|2,0,0]=4 1767 B12R0.268 CC(=O)NCCSCCCC(=O)N 62a_100102525003_100000189650 [0,0,0,0,0,2|2,0,0]=4 1768 B12R0.268 CC(=O)OCCCCNCC(=O)O 269956a_100016091260_100000033659 [0,0,0,0,0,2|1,0,0]=3 1769 B12R0.268 CC(=O)OCCCCOCC(=O)N 34a_100000073216_100000187820 [0,0,0,0,0,2|2,0,0]=4 1770 B12R0.268 CC(=O)OCCCCOCC(=O)N 7a_100000073216_100000187820 [0,0,0,0,0,2|2,0,0]=4 1771 B12R0.268 CC(=O)OCCCCOCC(=O)[O-] 34a_100000073216_100020667443 [0,0,0,0,0,2|1,0,1]=4 1772 B12R0.268 CC(=O)OCCCCSCC(=O)N 62a_100000033659_100000747473 [0,0,0,0,0,2|2,0,0]=4 1773 B12R0.268 CC(=O)OCCCCSCC(=O)N 62a_100000747473_100000033659 [0,0,0,0,0,2|2,0,0]=4 1774 B12R0.268 CC(=O)OCCCCSCC(=O)[O-] 62a_100000033659_100020667443 [0,0,0,0,0,2|1,0,1]=4 1775 B12R0.268 CC(=O)OCCCCSCC(=O)[O-] 62a_100020667443_100000033659 [0,0,0,0,0,2|1,0,1]=4 1776 B12R0.268 CC(=O)OCCCNOCC(=O)O 269956a_100000106656_100000042594 [0,0,0,0,0,2|2,0,0]=4 1777 B12R0.268 CC(=O)OCCCOCCC(=O)N 34a_100000757172_100000042594 [0,0,0,0,0,2|2,0,0]=4 1778 B12R0.268 CC(=O)OCCCOCCC(=O)N 7a_100000757172_100000042594 [0,0,0,0,0,2|2,0,0]=4 1779 B12R0.268 CC(=O)OCCCSCCC(=O)N 62a_100000042594_100000744528 [0,0,0,0,0,2|2,0,0]=4 1780 B12R0.268 CC(=O)OCCCSCCC(=O)N 62a_100000744528_100000042594 [0,0,0,0,0,2|2,0,0]=4 1781 B12R0.268 CC(=O)OCCNCCCC(=O)N 34a_100000739312_100009814007 [0,0,0,0,0,2|2,0,0]=4 1782 B12R0.268 CC(=O)OCCOCNCC(=O)O 269956a_100016091260_100000076355 [0,0,0,0,0,2|2,0,0]=4 1783 B12R0.268 CC(=O)OCCSCCCC(=O)N 62a_100009814007_100102525003 [0,0,0,0,0,2|2,0,0]=4 1784 B12R0.268 CC(=O)OCCSCCCC(=O)N 62a_100102525003_100009814007 [0,0,0,0,0,2|2,0,0]=4 1785 B12R0.268 CC(=O)OCNCCCCC(=O)N 34a_100000696515_100009813279 [0,0,0,0,0,2|2,0,0]=4 1786 B12R0.268 CC(=O)OCNCCOCC(=O)O 269956a_100000700818_100000076356 [0,0,0,0,0,2|2,0,0]=4 1787 B12R0.268 CC(=O)OCOCCCCC(=O)N 34a_100012022536_100009813279 [0,0,0,0,0,2|2,0,0]=4 1788 B12R0.268 CC(=O)SCCCCNCC(=O)N 2230a_100000711301_200010402107 [0,0,0,0,0,2|2,0,0]=4 1789 B12R0.268 CC(=O)SCCCCNCC(=O)O 269956a_100016091260_200010402107 [0,0,0,0,0,2|1,0,0]=3 1790 B12R0.268 CC(=O)SCCCCSCC(=O)N 62a_100000747473_200010402107 [0,0,0,0,0,2|2,0,0]=4 1791 B12R0.268 CC(=O)SCCCCSCC(=O)N 62a_200010402107_100000747473 [0,0,0,0,0,2|2,0,0]=4 1792 B12R0.268 CC(=O)SCCCCSCC(=O)[O-] 62a_100020667443_200010402107 [0,0,0,0,0,2|1,0,1]=4 1793 B12R0.268 CC(=O)SCCCCSCC(=O)[O-] 62a_200010402107_100020667443 [0,0,0,0,0,2|1,0,1]=4 1794 B12R0.268 CC(=O)SCCCNOCC(=O)O 269956a_100000106656_100000038929 [0,0,0,0,0,2|2,0,0]=4 1795 B12R0.268 CC(=O)SCCCOCCC(=O)N 34a_100000757172_100000038929 [0,0,0,0,0,2|2,0,0]=4 1796 B12R0.268 CC(=O)SCCCOCCC(=O)N 7a_100000757172_100000038929 [0,0,0,0,0,2|2,0,0]=4 1797 B12R0.268 CC(=O)SCCCSCCC(=O)N 62a_100000038929_100000744528 [0,0,0,0,0,2|2,0,0]=4 1798 B12R0.268 CC(=O)SCCCSCCC(=O)N 62a_100000744528_100000038929 [0,0,0,0,0,2|2,0,0]=4 1799 B12R0.268 CC(O)CCNCCOCC(=O)O 269956a_100000700818_100012276601 [0,0,0,0,0,2|1,0,1]=4 1800 B12R0.268 NC(=O)CCCCCNCC(=O)N 2230a_100000711301_100009817443 [0,0,0,0,0,2|2,0,0]=4 1801 B12R0.268 NC(=O)CCCCCNCC(=O)O 269956a_100016091260_100009817443 [0,0,0,0,0,2|1,0,0]=3 1802 B12R0.268 NC(=O)CCCCCOCC(=O)N 34a_100000123541_100000187820 [0,0,0,0,0,2|2,0,0]=4 1803 B12R0.268 NC(=O)CCCCCOCC(=O)N 7a_100000123541_100000187820 [0,0,0,0,0,2|2,0,0]=4 1804 B12R0.268 NC(=O)CCCCCOCC(=O)[O-] 34a_100000123541_100020667443 [0,0,0,0,0,2|1,0,1]=4 1805 B12R0.268 NC(=O)CCCCCSCC(=O)N 62a_100000747473_100009817443 [0,0,0,0,0,2|2,0,0]=4 1806 B12R0.268 NC(=O)CCCCCSCC(=O)N 62a_100009817443_100000747473 [0,0,0,0,0,2|2,0,0]=4 1807 B12R0.268 NC(=O)CCCCCSCC(=O)[O-] 62a_100009817443_100020667443 [0,0,0,0,0,2|1,0,1]=4 1808 B12R0.268 NC(=O)CCCCCSCC(=O)[O-] 62a_100020667443_100009817443 [0,0,0,0,0,2|1,0,1]=4 1809 B12R0.268 NC(=O)CCCCNCCC(=O)N 34a_100000696515_100000731001 [0,0,0,0,0,2|2,0,0]=4 1810 B12R0.268 NC(=O)CCCCOCCC(=O)N 34a_100012022536_100000731001 [0,0,0,0,0,2|2,0,0]=4 1811 B12R0.268 NC(=O)CCCCOCCC(=O)N 7a_100012022536_100000744528 [0,0,0,0,0,2|2,0,0]=4 1812 B12R0.268 NC(=O)CCCNCCCC(=O)N 34a_100000739312_100102525003 [0,0,0,0,0,2|2,0,0]=4 1813 B12R0.268 NC(=O)CCCNCCNC(=O)N 34a_100020590234_100102525003 [0,0,0,0,0,2|2,0,0]=4 1814 B12R0.268 NC(=O)CCCNCCOC(=O)N 34a_100000739312_200011214921 [0,0,0,0,0,2|2,0,0]=4 1815 B12R0.268 NC(=O)CCCOCCNC(=O)N 34a_100000181757_100102525003 [0,0,0,0,0,2|2,0,0]=4 1816 B12R0.268 NC(=O)CCCOCCOC(=O)N 7a_100000766696_100102525003 [0,0,0,0,0,2|2,0,0]=4 1817 B12R0.268 NC(=O)CCCSCCCC(=O)N 62a_100102525003_100102525003 [0,0,0,0,0,2|2,0,0]=4 1818 B12R0.268 NC(=O)CCCSCCNC(=O)N 62a_100102525003_200000034859 [0,0,0,0,0,2|2,0,0]=4 1819 B12R0.268 NC(=O)CCCSCCNC(=O)N 62a_200000034859_100102525003 [0,0,0,0,0,2|2,0,0]=4 1820 B12R0.268 NC(=O)CCCSCCOC(=O)N 62a_100102525003_200011214921 [0,0,0,0,0,2|2,0,0]=4 1821 B12R0.268 NC(=O)CCCSCCOC(=O)N 62a_200011214921_100102525003 [0,0,0,0,0,2|2,0,0]=4 1822 B12R0.268 NC(=O)CCNCCOCC(=O)O 269956a_100000700818_100000744528 [0,0,0,0,0,2|1,0,0]=3 1823 B12R0.268 NC(=O)CCOCCOCC(=O)N 34a_100000757172_100000076697 [0,0,0,0,0,2|2,0,0]=4 1824 B12R0.268 NC(=O)CCOCCOCC(=O)N 7a_100000757172_100000076697 [0,0,0,0,0,2|2,0,0]=4 1825 B12R0.268 NC(=O)CCSCCOCC(=O)N 62a_100000076697_100000744528 [0,0,0,0,0,2|2,0,0]=4 1826 B12R0.268 NC(=O)CCSCCOCC(=O)N 62a_100000744528_100000076697 [0,0,0,0,0,2|2,0,0]=4 1827 B12R0.268 NC(=O)COCCCCCC(=O)[O-] 7a_100102619762_100000187820 [0,0,0,0,0,2|1,0,1]=4 1828 B12R0.268 NC(=O)COCCNOCC(=O)O 269956a_100000106656_100000076697 [0,0,0,0,0,2|2,0,0]=4 1829 B12R0.268 O=C(O)CNCCCCCB(O)O 269956a_100016091260_200009817188 [0,0,0,0,0,2|1,0,1]=4 1830 B12R0.268 O=C(O)CNCCCCO[N+](=O)[O-] 269956a_100016091260_100015694321 [0,0,0,0,0,2|1,0,1]=4 1831 B12R0.268 O=C(O)CONCCCCB(O)O 269956a_100000106656_200009817182 [0,0,0,0,0,2|1,0,1]=4