0 B12R0.42 C=C(C)CCOCCC(N)C(C)C 34a_100161115045_100000730704 [0,0,0,0,0,0|4,0,0]=4 1 B12R0.42 CC(=O)CCCCOC(C)C(C)C 7a_100000748068_100000735457 [0,0,0,0,0,0|4,0,0]=4 2 B12R0.42 CC(=O)CCCNCC(O)C(C)C 34a_100000759067_100000685027 [0,0,0,0,0,0|4,0,0]=4 3 B12R0.42 CC(=O)CCCOC[C@H](N)C(=O)N 34a_100000729942_100000685027 [0,0,0,0,0,0|3,0,1]=4 4 B12R0.42 CC(=O)CCCOC[C@H](N)C(C)C 34a_100011830312_100000685027 [0,0,0,0,0,0|3,0,0]=3 5 B12R0.42 CC(=O)OCCOC[C@H](N)C(C)C 34a_100011830312_100009814007 [0,0,0,0,0,0|4,0,0]=4 6 B12R0.42 CC(=O)OCOCCC(N)C(C)C 34a_100161115045_100009813279 [0,0,0,0,0,0|4,0,0]=4 7 B12R0.42 CC(C)C(=O)CCCCCC(=O)N 1458a_100000210198_100009817443 [0,0,0,0,0,0|3,0,1]=4 8 B12R0.42 CC(C)C(N)CCOCCC(=O)N 34a_100161115045_100000731001 [0,0,0,0,0,0|3,0,0]=3 9 B12R0.42 CC(C)C(O)CNCCCC(=O)N 34a_100000759067_100102525003 [0,0,0,0,0,0|4,0,0]=4 10 B12R0.42 CC(C)N(C)CCCCCC(=O)N 269982a_200000211004_100009817443 [0,0,0,0,0,0|4,0,0]=4 11 B12R0.42 CC(C)[C@@H](N)COCCCC(=O)N 34a_100011830312_100102525003 [0,0,0,0,0,0|3,0,0]=3 12 B12R0.42 CC(C)[C@@H](N)COCCOC(=O)N 34a_100011830312_200011214921 [0,0,0,0,0,0|4,0,0]=4 13 B12R0.42 CC(F)C(=O)CCCCCC(=O)N 1458a_100000062450_100009817443 [0,0,0,0,0,0|3,0,1]=4 14 B12R0.42 CC(O)CCCOC[C@H](N)C(C)C 34a_100011830312_200000718107 [0,0,0,0,0,0|3,0,1]=4 15 B12R0.42 CC(O)CCOCCC(N)C(C)C 34a_100161115045_100012276601 [0,0,0,0,0,0|3,0,1]=4 16 B12R0.42 C[C@@H](O)C(=O)CCCCCC(=O)N 1458a_100000717761_100009817443 [0,0,0,0,0,0|3,0,1]=4 17 B12R0.42 C[C@H](O)C(=O)CCCCCC(=O)N 1458a_217856618621_100009817443 [0,0,0,0,0,0|3,0,1]=4 18 B12R0.42 NC(=O)CCCOC[C@H](N)C(=O)N 34a_100000729942_100102525003 [0,0,0,0,0,0|3,0,1]=4 19 B11R0.30 CC(=O)CCCCCCC(C)C 1458a_100000040743_200000210301 [1,0,0,0,0,0|2,0,0]=3 20 B11R0.30 CC(=O)CCCCNCC(=O)O 269956a_100016091260_100000735457 [1,0,0,0,0,0|2,0,1]=4 21 B11R0.30 CC(=O)CCCCNCC(C)C 34a_100000210953_100009817362 [1,0,0,0,0,0|3,0,0]=4 22 B11R0.30 CC(=O)CCCCNCC(C)O 34a_100000210904_100009817362 [1,0,0,0,0,0|3,0,0]=4 23 B11R0.30 CC(=O)CCCCOCC(C)Br 34a_100012180447_100009817362 [1,0,0,0,0,0|3,0,0]=4 24 B11R0.30 CC(=O)CCCCOCC(C)C 34a_100000210257_100009817362 [1,0,0,0,0,0|3,0,0]=4 25 B11R0.30 CC(=O)CCCCOCC(C)F 34a_100015925927_100009817362 [1,0,0,0,0,0|3,0,0]=4 26 B11R0.30 CC(=O)CCCCOC[C@@H](C)Cl 34a_100016084084_100009817362 [1,0,0,0,0,0|3,0,0]=4 27 B11R0.30 CC(=O)CCCCOC[C@@H](C)N 34a_100000737577_100009817362 [1,0,0,0,0,0|2,0,0]=3 28 B11R0.30 CC(=O)CCCCSCC(C)C 62a_100000210624_100000735457 [1,0,0,0,0,0|3,0,0]=4 29 B11R0.30 CC(=O)CCCCSCC(C)C 62a_100000735457_100000210760 [1,0,0,0,0,0|3,0,0]=4 30 B11R0.30 CC(=O)CCCCSCC(C)O 62a_100000735457_100011218427 [1,0,0,0,0,0|3,0,0]=4 31 B11R0.30 CC(=O)CCCCSCC(C)O 62a_100011218427_100000735457 [1,0,0,0,0,0|3,0,0]=4 32 B11R0.30 CC(=O)CCCCSC[C@@H](C)O 62a_100000735457_100009817552 [1,0,0,0,0,0|3,0,0]=4 33 B11R0.30 CC(=O)CCCCSC[C@@H](C)O 62a_100009817552_100000735457 [1,0,0,0,0,0|3,0,0]=4 34 B11R0.30 CC(=O)CCCOCCC(C)Br 34a_100009893172_100000685027 [1,0,0,0,0,0|3,0,0]=4 35 B11R0.30 CC(=O)CCCOCCC(C)C 34a_100000210254_100000685027 [1,0,0,0,0,0|3,0,0]=4 36 B11R0.30 CC(=O)CCCOCCC(C)C 34a_100000759063_100000210312 [1,0,0,0,0,0|3,0,0]=4 37 B11R0.30 CC(=O)CCCOCCC(C)C 7a_100000210254_100011215641 [1,0,0,0,0,0|3,0,0]=4 38 B11R0.30 CC(=O)CCCOCCC(C)C 7a_100000759063_100000210626 [1,0,0,0,0,0|3,0,0]=4 39 B11R0.30 CC(=O)CCCOCCC(C)O 34a_100000759063_100012276601 [1,0,0,0,0,0|3,0,0]=4 40 B11R0.30 CC(=O)CCCOCCC(C)O 7a_100000759063_100012276601 [1,0,0,0,0,0|3,0,0]=4 41 B11R0.30 CC(=O)CCCOCC[C@@H](C)N 34a_100000706166_100000685027 [1,0,0,0,0,0|2,0,0]=3 42 B11R0.30 CC(=O)CCCSCCC(C)C 62a_100000210312_100011215641 [1,0,0,0,0,0|3,0,0]=4 43 B11R0.30 CC(=O)CCCSCCC(C)C 62a_100011215641_100000210312 [1,0,0,0,0,0|3,0,0]=4 44 B11R0.30 CC(=O)CCCSCCC(C)O 62a_100011215641_100012276601 [1,0,0,0,0,0|3,0,0]=4 45 B11R0.30 CC(=O)CCCSCCC(C)O 62a_100012276601_100011215641 [1,0,0,0,0,0|3,0,0]=4 46 B11R0.30 CC(=O)CCOCCCC(C)C 34a_100000759926_100011214892 [1,0,0,0,0,0|3,0,0]=4 47 B11R0.30 CC(=O)CCOCCCC(C)C 7a_100000210774_100000053229 [1,0,0,0,0,0|3,0,0]=4 48 B11R0.30 CC(=O)CCOCCCC(C)C 7a_100000759926_100011214892 [1,0,0,0,0,0|3,0,0]=4 49 B11R0.30 CC(=O)CCOCCCC(C)O 34a_100000759926_200000718107 [1,0,0,0,0,0|3,0,0]=4 50 B11R0.30 CC(=O)CCOCCCC(C)O 7a_100000759926_200000718107 [1,0,0,0,0,0|3,0,0]=4 51 B11R0.30 CC(=O)CCSCCCC(C)C 62a_100000053229_100011214892 [1,0,0,0,0,0|3,0,0]=4 52 B11R0.30 CC(=O)CCSCCCC(C)C 62a_100011214892_100000053229 [1,0,0,0,0,0|3,0,0]=4 53 B11R0.30 CC(=O)CCSCCCC(C)O 62a_100000053229_200000718107 [1,0,0,0,0,0|3,0,0]=4 54 B11R0.30 CC(=O)CCSCCCC(C)O 62a_200000718107_100000053229 [1,0,0,0,0,0|3,0,0]=4 55 B11R0.30 CC(=O)COCCCCC(C)C 34a_100000211253_100011216152 [1,0,0,0,0,0|3,0,0]=4 56 B11R0.30 CC(=O)NCCCCCC(C)C 1626a_100011290863_100015343762 [1,0,0,0,0,0|3,0,0]=4 57 B11R0.30 CC(=O)NCCCCCC(C)C 240690a_100011290863_100015343762 [1,0,0,0,0,0|3,0,0]=4 58 B11R0.30 CC(=O)NCCCCCC(C)C 527a_100011290863_100103153847 [1,0,0,0,0,0|3,0,0]=4 59 B11R0.30 CC(=O)OCCCOC[C@@H](C)N 34a_100000737577_100000042594 [1,0,0,0,0,0|3,0,0]=4 60 B11R0.30 CC(=O)OCCOCC[C@@H](C)N 34a_100000706166_100009814007 [1,0,0,0,0,0|3,0,0]=4 61 B11R0.30 CC(=O)SCCCOC[C@@H](C)N 34a_100000737577_100000038929 [1,0,0,0,0,0|3,0,0]=4 62 B11R0.30 CC(Br)CCOCCCC(=O)N 34a_100009893172_100102525003 [1,0,0,0,0,0|3,0,0]=4 63 B11R0.30 CC(C)CCCCCCC(=O)[13CH3] 1458a_100000040743_200025704644 [1,0,0,0,0,0|2,0,0]=3 64 B11R0.30 CC(C)CCCCNCC(=O)N 2230a_100000711301_100011216152 [1,0,0,0,0,0|3,0,0]=4 65 B11R0.30 CC(C)CCCCNCC(=O)O 269956a_100016091260_100011216152 [1,0,0,0,0,0|2,0,0]=3 66 B11R0.30 CC(C)CCCCOCC(=O)N 34a_100011214890_100000187820 [1,0,0,0,0,0|3,0,0]=4 67 B11R0.30 CC(C)CCCCOCC(=O)N 7a_100011214890_100000187820 [1,0,0,0,0,0|3,0,0]=4 68 B11R0.30 CC(C)CCCCOCC(=O)[O-] 34a_100011214890_100020667443 [1,0,0,0,0,0|2,0,1]=4 69 B11R0.30 CC(C)CCCCSCC(=O)N 62a_100000747473_100011216152 [1,0,0,0,0,0|3,0,0]=4 70 B11R0.30 CC(C)CCCCSCC(=O)N 62a_100011216152_100000747473 [1,0,0,0,0,0|3,0,0]=4 71 B11R0.30 CC(C)CCCCSCC(=O)[O-] 62a_100011216152_100020667443 [1,0,0,0,0,0|2,0,1]=4 72 B11R0.30 CC(C)CCCCSCC(=O)[O-] 62a_100020667443_100011216152 [1,0,0,0,0,0|2,0,1]=4 73 B11R0.30 CC(C)CCCNCCC(=O)N 2230a_200000737386_100000744528 [1,0,0,0,0,0|3,0,0]=4 74 B11R0.30 CC(C)CCCNCCC(=O)N 34a_200000737386_100000731001 [1,0,0,0,0,0|3,0,0]=4 75 B11R0.30 CC(C)CCCNOCC(=O)O 269956a_100000106656_100011214892 [1,0,0,0,0,0|3,0,0]=4 76 B11R0.30 CC(C)CCCOCCC(=O)N 34a_100000210774_100000731001 [1,0,0,0,0,0|3,0,0]=4 77 B11R0.30 CC(C)CCCOCCC(=O)N 34a_100000757172_100011214892 [1,0,0,0,0,0|3,0,0]=4 78 B11R0.30 CC(C)CCCOCCC(=O)N 7a_100000210774_100000744528 [1,0,0,0,0,0|3,0,0]=4 79 B11R0.30 CC(C)CCCOCCC(=O)N 7a_100000757172_100011214892 [1,0,0,0,0,0|3,0,0]=4 80 B11R0.30 CC(C)CCCSCCC(=O)N 62a_100000744528_100011214892 [1,0,0,0,0,0|3,0,0]=4 81 B11R0.30 CC(C)CCCSCCC(=O)N 62a_100011214892_100000744528 [1,0,0,0,0,0|3,0,0]=4 82 B11R0.30 CC(C)CCNCCCC(=O)N 269862a_100000739312_100000185833 [1,0,0,0,0,0|3,0,0]=4 83 B11R0.30 CC(C)CCNCCCC(=O)N 34a_100000739312_100000210312 [1,0,0,0,0,0|3,0,0]=4 84 B11R0.30 CC(C)CCOCCCC(=O)N 34a_100000210254_100102525003 [1,0,0,0,0,0|3,0,0]=4 85 B11R0.30 CC(C)CCOCCCC(=O)N 7a_100000210254_100102525003 [1,0,0,0,0,0|3,0,0]=4 86 B11R0.30 CC(C)CCSCCCC(=O)N 62a_100000210312_100102525003 [1,0,0,0,0,0|3,0,0]=4 87 B11R0.30 CC(C)CCSCCCC(=O)N 62a_100102525003_100000210312 [1,0,0,0,0,0|3,0,0]=4 88 B11R0.30 CC(C)CNCCCCC(=O)N 270004a_100000696515_100000210432 [1,0,0,0,0,0|3,0,0]=4 89 B11R0.30 CC(C)CNCCCCC(=O)N 34a_100000696515_100000210624 [1,0,0,0,0,0|3,0,0]=4 90 B11R0.30 CC(C)CNCCOCC(=O)O 269956a_100000700818_100000210760 [1,0,0,0,0,0|3,0,0]=4 91 B11R0.30 CC(C)COCCCCC(=O)N 34a_100012022536_100000210624 [1,0,0,0,0,0|3,0,0]=4 92 B11R0.30 CC(C)COCCCCC(=O)N 7a_100012022536_100000210760 [1,0,0,0,0,0|3,0,0]=4 93 B11R0.30 CC(C)NCCCCCC(=O)N 2230a_100138425928_100009817443 [1,0,0,0,0,0|3,0,0]=4 94 B11R0.30 CC(C)NCCCCCC(=O)N 34a_100138425928_100009817443 [1,0,0,0,0,0|3,0,0]=4 95 B11R0.30 CC(C)OCCCCCC(=O)N 34a_100000123541_100000210206 [1,0,0,0,0,0|3,0,0]=4 96 B11R0.30 CC(C)OCCCCCC(=O)N 34a_100000212225_100009817443 [1,0,0,0,0,0|3,0,0]=4 97 B11R0.30 CC(C)OCCCCCC(=O)N 7a_100000123541_100000210206 [1,0,0,0,0,0|3,0,0]=4 98 B11R0.30 CC(C)OCCCCCC(=O)[O-] 7a_100102619762_100000210206 [1,0,0,0,0,0|2,0,1]=4 99 B11R0.30 CC(C)SCCCCCC(=O)N 62a_100000210206_100009817443 [1,0,0,0,0,0|3,0,0]=4 100 B11R0.30 CC(C)SCCCCCC(=O)N 62a_100009817443_100000210206 [1,0,0,0,0,0|3,0,0]=4 101 B11R0.30 CC(O)CCCNOCC(=O)O 269956a_100000106656_200000718107 [1,0,0,0,0,0|3,0,0]=4 102 B11R0.30 CC(O)CCCOCCC(=O)N 34a_100000757172_200000718107 [1,0,0,0,0,0|3,0,0]=4 103 B11R0.30 CC(O)CCCOCCC(=O)N 7a_100000757172_200000718107 [1,0,0,0,0,0|3,0,0]=4 104 B11R0.30 CC(O)CCCOCC[C@@H](C)N 34a_100000706166_200000718107 [1,0,0,0,0,0|2,0,1]=4 105 B11R0.30 CC(O)CCCSCCC(=O)N 62a_100000744528_200000718107 [1,0,0,0,0,0|3,0,0]=4 106 B11R0.30 CC(O)CCCSCCC(=O)N 62a_200000718107_100000744528 [1,0,0,0,0,0|3,0,0]=4 107 B11R0.30 CC(O)CCNCCCC(=O)N 34a_100000739312_100012276601 [1,0,0,0,0,0|3,0,0]=4 108 B11R0.30 CC(O)CCSCCCC(=O)N 62a_100012276601_100102525003 [1,0,0,0,0,0|3,0,0]=4 109 B11R0.30 CC(O)CCSCCCC(=O)N 62a_100102525003_100012276601 [1,0,0,0,0,0|3,0,0]=4 110 B11R0.30 CC(O)CNCCCCC(=O)N 34a_100000696515_100011218427 [1,0,0,0,0,0|3,0,0]=4 111 B11R0.30 CC(O)CNCCOCC(=O)O 269956a_100000700818_100011218427 [1,0,0,0,0,0|3,0,0]=4 112 B11R0.30 CC(O)COCCCCC(=O)N 34a_100012022536_100011218427 [1,0,0,0,0,0|3,0,0]=4 113 B11R0.30 CC(O)COCCCCC(=O)N 7a_100012022536_100011218427 [1,0,0,0,0,0|3,0,0]=4 114 B11R0.30 CN(C)CCCCNCC(=O)O 269956a_100016091260_100000690147 [1,0,0,0,0,0|3,0,0]=4 115 B11R0.30 C[C@@H](N)CCOCCCC(=O)N 34a_100000706166_100102525003 [1,0,0,0,0,0|2,0,0]=3 116 B11R0.30 C[C@@H](N)CCOCCOC(=O)N 34a_100000706166_200011214921 [1,0,0,0,0,0|3,0,0]=4 117 B11R0.30 C[C@@H](N)COCCCCB(O)O 34a_100000737577_200009817182 [1,0,0,0,0,0|2,0,1]=4 118 B11R0.30 C[C@@H](N)COCCOCC(=O)N 34a_100000737577_100000076697 [1,0,0,0,0,0|3,0,0]=4 119 B11R0.30 C[C@@H](O)CNCCCCC(=O)N 34a_100000696515_100009817552 [1,0,0,0,0,0|3,0,0]=4 120 B11R0.30 C[C@@H](O)CNCCOCC(=O)O 269956a_100000700818_100009817552 [1,0,0,0,0,0|3,0,0]=4 121 B11R0.30 C[C@@H](O)COCCCCC(=O)N 34a_100012022536_100009817552 [1,0,0,0,0,0|3,0,0]=4 122 B11R0.30 C[C@@H](O)COCCCCC(=O)N 7a_100012022536_100009817552 [1,0,0,0,0,0|3,0,0]=4 123 B11R0.42 C=CCCCOC[C@H](N)C(C)C 34a_100011830312_100000757094 [1,0,0,0,0,0|3,0,0]=4 124 B11R0.42 C=CCCOCCC(N)C(C)C 34a_100161115045_100000754431 [1,0,0,0,0,0|3,0,0]=4 125 B11R0.42 CC(C)C(C)NCCCCC=O 2230a_100000211541_100000139335 [1,0,0,0,0,0|3,0,0]=4 126 B11R0.42 CC(C)C(C)OCCCCC=O 7a_100000748068_100000139335 [1,0,0,0,0,0|3,0,0]=4 127 B11R0.42 CC(C)C(N)CCOCCCO 34a_100161115045_100000230001 [1,0,0,0,0,0|2,0,1]=4 128 B11R0.42 CC(C)C(O)CNCCCC=O 2230a_100000759067_200011292268 [1,0,0,0,0,0|3,0,0]=4 129 B11R0.42 CC(C)N(C)CCCCCC=O 269982a_200000211004_100000139337 [1,0,0,0,0,0|3,0,0]=4 130 B11R0.42 CC(C)[C@@H](N)COCCCCO 34a_100011830312_100011216708 [1,0,0,0,0,0|2,0,1]=4 131 B11R0.111 CC(=O)CCCCOC(C)CN 34a_100000210904_100009817362 [1,0,0,0,0,0|3,0,0]=4 132 B11R0.111 CC(=O)CCCOCC(C)CN 34a_100000744482_100000685027 [1,0,0,0,0,0|3,0,0]=4 133 B11R0.111 CC(=O)CCCOC[C@H](F)CN 34a_100015665980_100000685027 [1,0,0,0,0,0|3,0,0]=4 134 B11R0.111 CC(CN)COCCCC(=O)N 34a_100000744482_100102525003 [1,0,0,0,0,0|3,0,0]=4 135 B11R0.111 CCC(=O)CCCCCC(=O)N 1458a_100000210414_100009817443 [1,0,0,0,0,0|2,0,1]=4 136 B11R0.111 CCC(C)CCCOCC(=O)N 7a_100011216074_100000187820 [1,0,0,0,0,0|3,0,0]=4 137 B11R0.111 CCC(C)CCNCCC(=O)N 2230a_100020591266_100000744528 [1,0,0,0,0,0|3,0,0]=4 138 B11R0.111 CCC(C)CCOCCC(=O)C 7a_100011215188_100000053229 [1,0,0,0,0,0|3,0,0]=4 139 B11R0.111 CCC(C)CCOCCC(=O)N 7a_100011215188_100000744528 [1,0,0,0,0,0|3,0,0]=4 140 B11R0.111 CCC(C)CNCCCC(=O)N 34a_100000739312_100000748023 [1,0,0,0,0,0|3,0,0]=4 141 B11R0.111 CCC(C)COCCCC(=O)C 34a_100000759063_100000748023 [1,0,0,0,0,0|3,0,0]=4 142 B11R0.111 CCC(C)COCCCC(=O)C 7a_100000759063_100000748023 [1,0,0,0,0,0|3,0,0]=4 143 B11R0.111 CCC(C)CSCCCC(=O)C 62a_100000748023_100011215641 [1,0,0,0,0,0|3,0,0]=4 144 B11R0.111 CCC(C)CSCCCC(=O)C 62a_100011215641_100000748023 [1,0,0,0,0,0|3,0,0]=4 145 B11R0.111 CCC(C)CSCCCC(=O)N 62a_100000748023_100102525003 [1,0,0,0,0,0|3,0,0]=4 146 B11R0.111 CCC(C)CSCCCC(=O)N 62a_100102525003_100000748023 [1,0,0,0,0,0|3,0,0]=4 147 B11R0.111 CCC(C)NCCCCC(=O)N 34a_100000696515_100011215416 [1,0,0,0,0,0|3,0,0]=4 148 B11R0.111 CCC(C)NCCOCC(=O)O 269956a_100000700818_100000758301 [1,0,0,0,0,0|3,0,0]=4 149 B11R0.111 CCC(C)OCCCCC(=O)C 7a_100000210228_100000735457 [1,0,0,0,0,0|3,0,0]=4 150 B11R0.111 CCC(C)OCCCCC(=O)N 34a_100012022536_100011215416 [1,0,0,0,0,0|3,0,0]=4 151 B11R0.111 CCC(C)OCCCCC(=O)N 7a_100012022536_100000758301 [1,0,0,0,0,0|3,0,0]=4 152 B11R0.111 CCC(C)SCCCCC(=O)C 62a_100000735457_100000758301 [1,0,0,0,0,0|3,0,0]=4 153 B11R0.111 CCC(C)SCCCCC(=O)C 62a_100000758301_100000735457 [1,0,0,0,0,0|3,0,0]=4 154 B11R0.111 CCC(O)CNCCCC(=O)N 34a_100000739312_100011218378 [1,0,0,0,0,0|3,0,0]=4 155 B11R0.111 CCC(O)COCCCC(=O)C 34a_100000759063_100011218378 [1,0,0,0,0,0|3,0,0]=4 156 B11R0.111 CCC(O)COCCCC(=O)C 7a_100000759063_100011218378 [1,0,0,0,0,0|3,0,0]=4 157 B11R0.111 CCC(O)CSCCCC(=O)C 62a_100011215641_100011218378 [1,0,0,0,0,0|3,0,0]=4 158 B11R0.111 CCC(O)CSCCCC(=O)C 62a_100011218378_100011215641 [1,0,0,0,0,0|3,0,0]=4 159 B11R0.111 CCC(O)CSCCCC(=O)N 62a_100011218378_100102525003 [1,0,0,0,0,0|3,0,0]=4 160 B11R0.111 CCC(O)CSCCCC(=O)N 62a_100102525003_100011218378 [1,0,0,0,0,0|3,0,0]=4 161 B11R0.111 CCN(C)CCCCCC(=O)N 2230a_100000225621_100009817443 [1,0,0,0,0,0|3,0,0]=4 162 B11R0.111 CCN(C)CCCCCC(=O)N 269982a_100000225621_100009817443 [1,0,0,0,0,0|3,0,0]=4 163 B11R0.111 CCN(C)CCCNCC(=O)O 269956a_100016091260_100015186262 [1,0,0,0,0,0|3,0,0]=4 164 B11R0.111 CC[C@H](C)CNCCCC(=O)N 34a_100000739312_100009816398 [1,0,0,0,0,0|3,0,0]=4 165 B11R0.111 CC[C@H](C)COCCCC(=O)C 34a_100000759063_100009816398 [1,0,0,0,0,0|3,0,0]=4 166 B11R0.111 CC[C@H](C)COCCCC(=O)C 7a_100000759063_100009816398 [1,0,0,0,0,0|3,0,0]=4 167 B11R0.111 CC[C@H](C)COCCCC(=O)C 7a_100009816381_100011215641 [1,0,0,0,0,0|3,0,0]=4 168 B11R0.111 CC[C@H](C)COCCCC(=O)N 7a_100009816381_100102525003 [1,0,0,0,0,0|3,0,0]=4 169 B11R0.111 CC[C@H](C)CSCCCC(=O)C 62a_100009816398_100011215641 [1,0,0,0,0,0|3,0,0]=4 170 B11R0.111 CC[C@H](C)CSCCCC(=O)C 62a_100011215641_100009816398 [1,0,0,0,0,0|3,0,0]=4 171 B11R0.111 CC[C@H](C)CSCCCC(=O)N 62a_100009816398_100102525003 [1,0,0,0,0,0|3,0,0]=4 172 B11R0.111 CC[C@H](C)CSCCCC(=O)N 62a_100102525003_100009816398 [1,0,0,0,0,0|3,0,0]=4 173 B11R0.111 C[C@@H](CN)CCCOCC(=O)N 34a_100160569302_100000187820 [1,0,0,0,0,0|3,0,0]=4 174 B11R0.111 C[C@@H](CN)CCCOCC(=O)[O-] 34a_100160569302_100020667443 [1,0,0,0,0,0|2,0,1]=4 175 B11R0.111 NC[C@@H](F)COCCCC(=O)N 34a_100015665980_100102525003 [1,0,0,0,0,0|3,0,0]=4 176 B13R0.204 CNC(=O)CCCOC[C@H](N)C(C)C 34a_100011830312_100000741757 [0,1,0,0,0,0|3,0,0]=4 177 B13R0.204 CNC(=O)CCOCCC(N)C(C)C 34a_100161115045_100012179268 [0,1,0,0,0,0|3,0,0]=4 178 B13R0.204 COC(=O)CCCCCC(=O)C(C)C 1458a_100000210198_100009816466 [0,1,0,0,0,0|2,0,1]=4 179 B13R0.204 COC(=O)CCCCCC(=O)C(C)C 1458a_100009848860_100000210206 [0,1,0,0,0,0|2,0,1]=4 180 B13R0.204 COC(=O)CCCCCC(=O)C(C)F 1458a_100000062450_100009816466 [0,1,0,0,0,0|2,0,1]=4 181 B13R0.204 COC(=O)CCCCCC(=O)[C@@H](C)O 1458a_100000717761_100009816466 [0,1,0,0,0,0|2,0,1]=4 182 B13R0.204 COC(=O)CCCCCC(=O)[C@H](C)O 1458a_217856618621_100009816466 [0,1,0,0,0,0|2,0,1]=4 183 B13R0.204 COC(=O)CCCCCN(C)C(C)C 269982a_200000211004_100009816466 [0,1,0,0,0,0|3,0,0]=4 184 B13R0.204 COC(=O)CCCCNC(C)C(C)C 2230a_100000211541_100000204269 [0,1,0,0,0,0|3,0,0]=4 185 B13R0.204 COC(=O)CCCCOC(C)C(C)C 7a_100000748068_100000204269 [0,1,0,0,0,0|3,0,0]=4 186 B13R0.204 COC(=O)CCCNCC(O)C(C)C 2230a_100000759067_100011218270 [0,1,0,0,0,0|3,0,0]=4 187 B13R0.204 COC(=O)CCCNCC(O)C(C)C 34a_100000759067_100000742333 [0,1,0,0,0,0|3,0,0]=4 188 B13R0.204 COC(=O)CCCOC[C@H](N)C(=O)N 34a_100000729942_100000742333 [0,1,0,0,0,0|2,0,1]=4 189 B13R0.204 COC(=O)CCCOC[C@H](N)C(C)C 34a_100011830312_100000742333 [0,1,0,0,0,0|2,0,0]=3 190 B13R0.204 COC(=O)CCOCCC(N)C(C)C 34a_100161115045_100000742370 [0,1,0,0,0,0|2,0,0]=3 191 B13R0.364 CC(=O)CCCCOC(CN)C(C)C 34a_100000759067_100009817362 [0,1,0,0,0,0|3,0,0]=4 192 B13R0.364 CC(=O)CCCOCC(CN)C(C)C 34a_100000692819_100000685027 [0,1,0,0,0,0|3,0,0]=4 193 B13R0.364 CC(C)C(CN)COCCCC(=O)N 34a_100000692819_100102525003 [0,1,0,0,0,0|3,0,0]=4 194 B13R1.587 CC(C)N1CCCC(C1)CC(=O)O 269956a_100015207179_100000210206 [0,0,0,1,0,0|3,0,0]=4 195 B13R1.1080 CC(=O)CCCOC[C@H](N)C1CC1 34a_100020623730_100000685027 [0,0,0,1,0,0|3,0,0]=4 196 B13R1.1080 NC(=O)CCCOC[C@H](N)C1CC1 34a_100020623730_100102525003 [0,0,0,1,0,0|3,0,0]=4 197 B13R1.3425 CC(C)[C@@H](N)COC1COC(=O)O1 34a_100011830312_100000032252 [0,0,0,1,0,0|3,0,0]=4 198 B11R0.29 CC(C)C(N)CCOCC(=O)N 34a_100161115045_100000187820 [0,0,0,0,1,0|3,0,0]=4 199 B11R0.29 CC(C)C(N)CCOCC(=O)[O-] 34a_100161115045_100020667443 [0,0,0,0,1,0|2,0,1]=4 200 B11R0.29 CC(C)[C@@H](N)COCCC(=O)N 34a_100011830312_100000731001 [0,0,0,0,1,0|3,0,0]=4 201 B13R0.178 CC(=O)CCCOC[C@@H](N)CC(C)C 34a_100011830311_100000685027 [0,0,0,0,0,1|3,0,0]=4 202 B13R0.178 CC(C)C[C@H](N)CCOCCC(=O)N 34a_100161151251_100000731001 [0,0,0,0,0,1|3,0,0]=4 203 B13R0.178 CC(C)C[C@H](N)COCCCC(=O)N 34a_100011830311_100102525003 [0,0,0,0,0,1|3,0,0]=4 204 B13R0.180 CC(=O)CCCCNCC(O)C(C)C 34a_100000759067_100009817362 [0,0,0,0,0,1|3,0,0]=4 205 B13R0.180 CC(=O)CCCCOC[C@H](N)C(=O)N 34a_100000729942_100009817362 [0,0,0,0,0,1|2,0,1]=4 206 B13R0.180 CC(=O)CCCCOC[C@H](N)C(C)C 34a_100011830312_100009817362 [0,0,0,0,0,1|2,0,0]=3 207 B13R0.180 CC(=O)CCCOCCC(N)C(C)C 34a_100161115045_100000685027 [0,0,0,0,0,1|2,0,0]=3 208 B13R0.180 CC(=O)OCCCOC[C@H](N)C(C)C 34a_100011830312_100000042594 [0,0,0,0,0,1|3,0,0]=4 209 B13R0.180 CC(=O)OCCOCCC(N)C(C)C 34a_100161115045_100009814007 [0,0,0,0,0,1|3,0,0]=4 210 B13R0.180 CC(=O)SCCCOC[C@H](N)C(C)C 34a_100011830312_100000038929 [0,0,0,0,0,1|3,0,0]=4 211 B13R0.180 CC(C)C(C)NCCCCCC(=O)N 2230a_100000211541_100009817443 [0,0,0,0,0,1|3,0,0]=4 212 B13R0.180 CC(C)C(C)OCCCCCC(=O)N 7a_100000748068_100009817443 [0,0,0,0,0,1|3,0,0]=4 213 B13R0.180 CC(C)C(N)CCOCCCC(=O)N 34a_100161115045_100102525003 [0,0,0,0,0,1|2,0,0]=3 214 B13R0.180 CC(C)C(N)CCOCCOC(=O)N 34a_100161115045_200011214921 [0,0,0,0,0,1|3,0,0]=4 215 B13R0.180 CC(C)[C@@H](N)COCCCCB(O)O 34a_100011830312_200009817182 [0,0,0,0,0,1|2,0,1]=4 216 B13R0.180 CC(C)[C@@H](N)COCCOCC(=O)N 34a_100011830312_100000076697 [0,0,0,0,0,1|3,0,0]=4 217 B13R0.180 CC(O)CCCOCCC(N)C(C)C 34a_100161115045_200000718107 [0,0,0,0,0,1|2,0,1]=4 218 B10R0.4 C=CCCCCOC[C@@H](C)N 34a_100000737577_100011215482 [2,0,0,0,0,0|2,0,0]=4 219 B10R0.4 C=CCCCOCC[C@@H](C)N 34a_100000706166_100000757094 [2,0,0,0,0,0|2,0,0]=4 220 B10R0.4 CC(=O)CCCCCCCO 1458a_100000070787_100000760002 [2,0,0,0,0,0|2,0,0]=4 221 B10R0.4 CC(=O)CCCCCCCO 1458a_100011219782_200000210301 [2,0,0,0,0,0|2,0,0]=4 222 B10R0.4 CC(=O)CCCCOCCN 34a_100000210304_100009817362 [2,0,0,0,0,0|2,0,0]=4 223 B10R0.4 CC(=O)CCCOCCCN 34a_100000182051_100000685027 [2,0,0,0,0,0|2,0,0]=4 224 B10R0.4 CC(C)CCCCOCC=O 34a_100011214890_200009817547 [2,0,0,0,0,0|2,0,0]=4 225 B10R0.4 CC(C)CCCCOCC=O 7a_100011214890_200015260668 [2,0,0,0,0,0|2,0,0]=4 226 B10R0.4 CC(C)CCCCSCC=O 62a_100011216152_200015260668 [2,0,0,0,0,0|2,0,0]=4 227 B10R0.4 CC(C)CCCCSCC=O 62a_200015260668_100011216152 [2,0,0,0,0,0|2,0,0]=4 228 B10R0.4 CC(C)CCOCCCC=O 7a_100000210254_200011292268 [2,0,0,0,0,0|2,0,0]=4 229 B10R0.4 CC(C)CCSCCCC=O 62a_100000210312_200011292268 [2,0,0,0,0,0|2,0,0]=4 230 B10R0.4 CC(C)CCSCCCC=O 62a_200011292268_100000210312 [2,0,0,0,0,0|2,0,0]=4 231 B10R0.4 CC(C)CNCCCCC=O 2230a_100000210953_100000139335 [2,0,0,0,0,0|2,0,0]=4 232 B10R0.4 CC(C)CSCCCCC=O 62a_100000139335_100000210760 [2,0,0,0,0,0|2,0,0]=4 233 B10R0.4 CC(C)CSCCCCC=O 62a_100000210624_100000139335 [2,0,0,0,0,0|2,0,0]=4 234 B10R0.4 CC(C)NCCCCCC=O 2230a_100138425928_100000139337 [2,0,0,0,0,0|2,0,0]=4 235 B10R0.4 CC(C)SCCCCCC=O 62a_100000139337_100000210206 [2,0,0,0,0,0|2,0,0]=4 236 B10R0.4 CC(C)SCCCCCC=O 62a_100000210206_100000139337 [2,0,0,0,0,0|2,0,0]=4 237 B10R0.4 CC(O)CCNCCCC=O 2230a_200000755665_200011292268 [2,0,0,0,0,0|2,0,0]=4 238 B10R0.4 CC(O)CCSCCCC=O 62a_100012276601_200011292268 [2,0,0,0,0,0|2,0,0]=4 239 B10R0.4 CC(O)CCSCCCC=O 62a_200011292268_100012276601 [2,0,0,0,0,0|2,0,0]=4 240 B10R0.4 CC(O)CNCCCCC=O 2230a_100000210904_100000139335 [2,0,0,0,0,0|2,0,0]=4 241 B10R0.4 CC(O)CSCCCCC=O 62a_100000139335_100011218427 [2,0,0,0,0,0|2,0,0]=4 242 B10R0.4 CC(O)CSCCCCC=O 62a_100011218427_100000139335 [2,0,0,0,0,0|2,0,0]=4 243 B10R0.4 CCCCCCCCC(=O)C 1458a_100000070787_100000210759 [2,0,0,0,0,0|1,0,0]=3 244 B10R0.4 CCCCCCCCC(=O)C 1458a_100000210188_200000210301 [2,0,0,0,0,0|1,0,0]=3 245 B10R0.4 CCCCCCCCC(=O)[13CH3] 1458a_100000210188_200025704644 [2,0,0,0,0,0|1,0,0]=3 246 B10R0.4 CCCCCCCNC(=O)C 11a_100000229938_100015343762 [2,0,0,0,0,0|2,0,0]=4 247 B10R0.4 CCCCCCCNC(=O)C 1626a_100000229938_100015343762 [2,0,0,0,0,0|2,0,0]=4 248 B10R0.4 CCCCCCCNC(=O)C 240690a_100000229938_100015343762 [2,0,0,0,0,0|2,0,0]=4 249 B10R0.4 CCCCCCCNC(=O)C 527a_100000229938_100103153847 [2,0,0,0,0,0|2,0,0]=4 250 B10R0.4 CCCCCCNCC(=O)N 2230a_100000210581_100000747473 [2,0,0,0,0,0|2,0,0]=4 251 B10R0.4 CCCCCCNCC(=O)N 2230a_100000711301_100000210314 [2,0,0,0,0,0|2,0,0]=4 252 B10R0.4 CCCCCCNCC(=O)O 269956a_100016091260_100000210757 [2,0,0,0,0,0|1,0,0]=3 253 B10R0.4 CCCCCCOCC(=O)C 34a_100000211253_100000210314 [2,0,0,0,0,0|2,0,0]=4 254 B10R0.4 CCCCCCOCC(=O)N 34a_100000210259_100000187820 [2,0,0,0,0,0|2,0,0]=4 255 B10R0.4 CCCCCCOCC(=O)N 7a_100000210259_100000187820 [2,0,0,0,0,0|2,0,0]=4 256 B10R0.4 CCCCCCOCC(=O)[O-] 34a_100000210259_100020667443 [2,0,0,0,0,0|1,0,1]=4 257 B10R0.4 CCCCCCSCC(=O)N 62a_100000210314_100000747473 [2,0,0,0,0,0|2,0,0]=4 258 B10R0.4 CCCCCCSCC(=O)N 62a_100000747473_100000210757 [2,0,0,0,0,0|2,0,0]=4 259 B10R0.4 CCCCCCSCC(=O)[O-] 62a_100000210314_100020667443 [2,0,0,0,0,0|1,0,1]=4 260 B10R0.4 CCCCCCSCC(=O)[O-] 62a_100020667443_100000210757 [2,0,0,0,0,0|1,0,1]=4 261 B10R0.4 CCCCCNCCC(=O)N 2230a_100000209983_100000744528 [2,0,0,0,0,0|2,0,0]=4 262 B10R0.4 CCCCCNOCC(=O)O 269956a_100000106656_100000210326 [2,0,0,0,0,0|2,0,0]=4 263 B10R0.4 CCCCCOCCC(=O)C 34a_100000759926_100000718602 [2,0,0,0,0,0|2,0,0]=4 264 B10R0.4 CCCCCOCCC(=O)C 7a_100000210253_100000053229 [2,0,0,0,0,0|2,0,0]=4 265 B10R0.4 CCCCCOCCC(=O)C 7a_100000759926_100000210326 [2,0,0,0,0,0|2,0,0]=4 266 B10R0.4 CCCCCOCCC(=O)N 34a_100000210253_100000731001 [2,0,0,0,0,0|2,0,0]=4 267 B10R0.4 CCCCCOCCC(=O)N 34a_100000757172_100000718602 [2,0,0,0,0,0|2,0,0]=4 268 B10R0.4 CCCCCOCCC(=O)N 7a_100000210253_100000744528 [2,0,0,0,0,0|2,0,0]=4 269 B10R0.4 CCCCCOCCC(=O)N 7a_100000757172_100000210326 [2,0,0,0,0,0|2,0,0]=4 270 B10R0.4 CCCCCSCCC(=O)C 62a_100000053229_100000210326 [2,0,0,0,0,0|2,0,0]=4 271 B10R0.4 CCCCCSCCC(=O)C 62a_100000210326_100000053229 [2,0,0,0,0,0|2,0,0]=4 272 B10R0.4 CCCCCSCCC(=O)N 62a_100000210326_100000744528 [2,0,0,0,0,0|2,0,0]=4 273 B10R0.4 CCCCCSCCC(=O)N 62a_100000744528_100000210326 [2,0,0,0,0,0|2,0,0]=4 274 B10R0.4 CCCCNCCCC(=O)C 7a_106832991798_100011215641 [2,0,0,0,0,0|2,0,0]=4 275 B10R0.4 CCCCNCCCC(=O)N 34a_100000739312_100000210210 [2,0,0,0,0,0|2,0,0]=4 276 B10R0.4 CCCCNCCCC(=O)N 7a_106832991798_100102525003 [2,0,0,0,0,0|2,0,0]=4 277 B10R0.4 CCCCOCCCC(=O)C 34a_100000210227_100000685027 [2,0,0,0,0,0|2,0,0]=4 278 B10R0.4 CCCCOCCCC(=O)C 34a_100000759063_100000210210 [2,0,0,0,0,0|2,0,0]=4 279 B10R0.4 CCCCOCCCC(=O)C 7a_100000210227_100011215641 [2,0,0,0,0,0|2,0,0]=4 280 B10R0.4 CCCCOCCCC(=O)C 7a_100000759063_100000210211 [2,0,0,0,0,0|2,0,0]=4 281 B10R0.4 CCCCOCCCC(=O)N 34a_100000210227_100102525003 [2,0,0,0,0,0|2,0,0]=4 282 B10R0.4 CCCCOCCCC(=O)N 7a_100000210227_100102525003 [2,0,0,0,0,0|2,0,0]=4 283 B10R0.4 CCCCOCNCC(=O)O 269956a_100016091260_100011995733 [2,0,0,0,0,0|2,0,0]=4 284 B10R0.4 CCCCSCCCC(=O)C 62a_100000210211_100011215641 [2,0,0,0,0,0|2,0,0]=4 285 B10R0.4 CCCCSCCCC(=O)C 62a_100011215641_100000210210 [2,0,0,0,0,0|2,0,0]=4 286 B10R0.4 CCCCSCCCC(=O)N 62a_100000210211_100102525003 [2,0,0,0,0,0|2,0,0]=4 287 B10R0.4 CCCCSCCCC(=O)N 62a_100102525003_100000210210 [2,0,0,0,0,0|2,0,0]=4 288 B10R0.4 CCCNCCCCC(=O)N 34a_100000696515_100000210303 [2,0,0,0,0,0|2,0,0]=4 289 B10R0.4 CCCNCCOCC(=O)O 269956a_100000700818_100000210207 [2,0,0,0,0,0|2,0,0]=4 290 B10R0.4 CCCOCCCCC(=O)C 34a_100000210258_100009817362 [2,0,0,0,0,0|2,0,0]=4 291 B10R0.4 CCCOCCCCC(=O)N 34a_100012022536_100000210303 [2,0,0,0,0,0|2,0,0]=4 292 B10R0.4 CCCOCCCCC(=O)N 7a_100012022536_100000210303 [2,0,0,0,0,0|2,0,0]=4 293 B10R0.4 CCCOCCNCC(=O)O 269956a_100016091260_100011215938 [2,0,0,0,0,0|2,0,0]=4 294 B10R0.4 CCCSCCCCC(=O)C 62a_100000210303_100000735457 [2,0,0,0,0,0|2,0,0]=4 295 B10R0.4 CCCSCCCCC(=O)C 62a_100000735457_100000210303 [2,0,0,0,0,0|2,0,0]=4 296 B10R0.4 CCNCCCCCC(=O)N 2230a_100015525214_100009817443 [2,0,0,0,0,0|2,0,0]=4 297 B10R0.4 CCOCCCCCC(=O)N 34a_100000123541_100000210202 [2,0,0,0,0,0|2,0,0]=4 298 B10R0.4 CCOCCCCCC(=O)N 34a_100121572206_100009817443 [2,0,0,0,0,0|2,0,0]=4 299 B10R0.4 CCOCCCCCC(=O)N 7a_100000123541_100000210202 [2,0,0,0,0,0|2,0,0]=4 300 B10R0.4 CCOCCCCCC(=O)[O-] 7a_100102619762_100000210202 [2,0,0,0,0,0|1,0,1]=4 301 B10R0.4 CCOCCCNCC(=O)O 269956a_100016091260_100012232248 [2,0,0,0,0,0|2,0,0]=4 302 B10R0.4 CCSCCCCCC(=O)N 62a_100000210202_100009817443 [2,0,0,0,0,0|2,0,0]=4 303 B10R0.4 CCSCCCCCC(=O)N 62a_100009817443_100000210202 [2,0,0,0,0,0|2,0,0]=4 304 B10R0.4 COCCCCCCC(=O)C 1458a_100000070787_100011998445 [2,0,0,0,0,0|2,0,0]=4 305 B10R0.4 COCCCCNCC(=O)O 269956a_100016091260_100000730899 [2,0,0,0,0,0|2,0,0]=4 306 B10R0.4 C[C@@H](N)CCOCCCCO 34a_100000706166_100011216708 [2,0,0,0,0,0|1,0,1]=4 307 B10R0.4 C[C@@H](N)COCCCCCO 34a_100000737577_100000746330 [2,0,0,0,0,0|1,0,1]=4 308 B10R0.4 C[C@@H](O)CSCCCCC=O 62a_100000139335_100009817552 [2,0,0,0,0,0|2,0,0]=4 309 B10R0.4 C[C@@H](O)CSCCCCC=O 62a_100009817552_100000139335 [2,0,0,0,0,0|2,0,0]=4 310 B10R0.4 NCCCCCOCC(=O)N 34a_100000762737_100000187820 [2,0,0,0,0,0|2,0,0]=4 311 B10R0.4 NCCCCCOCC(=O)[O-] 34a_100000762737_100020667443 [2,0,0,0,0,0|1,0,1]=4 312 B10R0.4 NCCCCOCCC(=O)N 34a_100000750430_100000731001 [2,0,0,0,0,0|2,0,0]=4 313 B10R0.4 NCCCOCCCC(=O)N 34a_100000182051_100102525003 [2,0,0,0,0,0|2,0,0]=4 314 B10R0.4 O=C(O)CNCCCCCF 269956a_100016091260_100000729378 [2,0,0,0,0,0|2,0,0]=4 315 B10R0.4 O=C(O)CNCCCCCO 269956a_100016091260_100000746330 [2,0,0,0,0,0|2,0,0]=4 316 B10R0.4 [13CH3]C(=O)CCCCCCCO 1458a_100011219782_200025704644 [2,0,0,0,0,0|2,0,0]=4 317 B10R0.74 CCC(C)CCCOCC=O 7a_100011216074_200015260668 [2,0,0,0,0,0|2,0,0]=4 318 B10R0.74 CCC(C)CNCCCC=O 2230a_100020588543_200011292268 [2,0,0,0,0,0|2,0,0]=4 319 B10R0.74 CCC(C)CSCCCC=O 62a_100000748023_200011292268 [2,0,0,0,0,0|2,0,0]=4 320 B10R0.74 CCC(C)CSCCCC=O 62a_200011292268_100000748023 [2,0,0,0,0,0|2,0,0]=4 321 B10R0.74 CCC(C)NCCCCC=O 2230a_100000209981_100000139335 [2,0,0,0,0,0|2,0,0]=4 322 B10R0.74 CCC(C)OCCCCC=O 7a_100000210228_100000139335 [2,0,0,0,0,0|2,0,0]=4 323 B10R0.74 CCC(C)SCCCCC=O 62a_100000139335_100000758301 [2,0,0,0,0,0|2,0,0]=4 324 B10R0.74 CCC(C)SCCCCC=O 62a_100000758301_100000139335 [2,0,0,0,0,0|2,0,0]=4 325 B10R0.74 CCC(O)CNCCCC=O 2230a_100011218483_200011292268 [2,0,0,0,0,0|2,0,0]=4 326 B10R0.74 CCC(O)CSCCCC=O 62a_100011218378_200011292268 [2,0,0,0,0,0|2,0,0]=4 327 B10R0.74 CCC(O)CSCCCC=O 62a_200011292268_100011218378 [2,0,0,0,0,0|2,0,0]=4 328 B10R0.74 CCN(C)CCCCCC=O 2230a_100000225621_100000139337 [2,0,0,0,0,0|2,0,0]=4 329 B10R0.74 CCN(C)CCCCCC=O 269982a_100000225621_100000139337 [2,0,0,0,0,0|2,0,0]=4 330 B10R0.74 CC[C@H](C)COCCCC=O 7a_100009816381_200011292268 [2,0,0,0,0,0|2,0,0]=4 331 B10R0.74 CC[C@H](C)CSCCCC=O 62a_100009816398_200011292268 [2,0,0,0,0,0|2,0,0]=4 332 B10R0.74 CC[C@H](C)CSCCCC=O 62a_200011292268_100009816398 [2,0,0,0,0,0|2,0,0]=4 333 B10R0.74 C[C@@H](CN)CCCOCC=O 34a_100160569302_200009817547 [2,0,0,0,0,0|2,0,0]=4 334 B10R0.75 CC(C)C(N)CCOCC=O 34a_100161115045_200009817547 [2,0,0,0,0,0|2,0,0]=4 335 B10R0.75 CC(C)C(N)CCOCCO 34a_100161115045_100000211926 [2,0,0,0,0,0|2,0,0]=4 336 B10R0.75 CC(C)[C@@H](N)COCCCO 34a_100011830312_100000230001 [2,0,0,0,0,0|2,0,0]=4 337 B10R0.97 CC(=O)CCCCCC(C)C 1458a_100000070787_100000210682 [2,0,0,0,0,0|2,0,0]=4 338 B10R0.97 CC(=O)CCCCCC(C)C 1458a_100000766313_200000210301 [2,0,0,0,0,0|2,0,0]=4 339 B10R0.97 CC(=O)CCCOC[C@@H](C)N 34a_100000737577_100000685027 [2,0,0,0,0,0|2,0,0]=4 340 B10R0.97 CC(C)CCCCCC(=O)[13CH3] 1458a_100000766313_200025704644 [2,0,0,0,0,0|2,0,0]=4 341 B10R0.97 CC(C)CCCNCC(=O)O 269956a_100016091260_100011214892 [2,0,0,0,0,0|2,0,0]=4 342 B10R0.97 CC(O)CCCNCC(=O)O 269956a_100016091260_200000718107 [2,0,0,0,0,0|2,0,0]=4 343 B10R0.97 C[C@@H](N)CCOCCC(=O)N 34a_100000706166_100000731001 [2,0,0,0,0,0|2,0,0]=4 344 B10R0.97 C[C@@H](N)COCCCC(=O)N 34a_100000737577_100102525003 [2,0,0,0,0,0|2,0,0]=4 345 B12R0.44 CC(=O)CCC(C)CCCC(C)C 1458a_100000070787_100009816328 [1,1,0,0,0,0|2,0,0]=4 346 B12R0.44 CC(C)CCN(C)CCCC(=O)O 269956a_100000719178_100000210312 [1,1,0,0,0,0|2,0,0]=4 347 B12R0.44 CC(O)CCN(C)CCCC(=O)O 269956a_100000719178_100012276601 [1,1,0,0,0,0|2,0,0]=4 348 B12R0.184 CC(=O)CCCCOCC(C)CN 34a_100000744482_100009817362 [1,1,0,0,0,0|2,0,0]=4 349 B12R0.184 CC(C)CCCCCCC(=O)CF 1458a_100000040743_100015361967 [1,1,0,0,0,0|2,0,0]=4 350 B12R0.184 CC(C)CCCCCNC(=O)CO 240690a_100011290863_100000210174 [1,1,0,0,0,0|2,0,0]=4 351 B12R0.184 CC(C)CCCCCNC(=O)CO 527a_100011290863_100000210174 [1,1,0,0,0,0|2,0,0]=4 352 B12R0.184 CC(CN)OCCCCCC(=O)N 34a_100000210904_100009817443 [1,1,0,0,0,0|2,0,0]=4 353 B12R0.184 CCC(=O)CCCCCCC(C)C 1458a_100000040743_100000210202 [1,1,0,0,0,0|2,0,0]=4 354 B12R0.184 CNC(=O)CCCCCCC(C)C 11a_106832991635_100000040743 [1,1,0,0,0,0|2,0,0]=4 355 B12R0.184 CNC(=O)CCCCCCC(C)C 1626a_100102657272_100000040743 [1,1,0,0,0,0|2,0,0]=4 356 B12R0.184 CNC(=O)CCCCCCC(C)C 240690a_100102657272_100000040743 [1,1,0,0,0,0|2,0,0]=4 357 B12R0.184 CNC(=O)CCCCCCC(C)C 527a_100102657272_100000040743 [1,1,0,0,0,0|2,0,0]=4 358 B12R0.184 CNC(=O)CCCOCC[C@@H](C)N 34a_100000706166_100000741757 [1,1,0,0,0,0|2,0,0]=4 359 B12R0.184 COC(=O)CCCCCCC(=O)C 1458a_100000036694_200000210301 [1,1,0,0,0,0|1,0,1]=4 360 B12R0.184 COC(=O)CCCCCCC(=O)C 1458a_100000070787_100009815986 [1,1,0,0,0,0|1,0,1]=4 361 B12R0.184 COC(=O)CCCCCCC(=O)[13CH3] 1458a_100000036694_200025704644 [1,1,0,0,0,0|1,0,1]=4 362 B12R0.184 COC(=O)CCCCCCN(C)C 2230a_100102631434_100009815986 [1,1,0,0,0,0|2,0,0]=4 363 B12R0.184 COC(=O)CCCCCCN(C)C 269982a_100102631434_100009815986 [1,1,0,0,0,0|2,0,0]=4 364 B12R0.184 COC(=O)CCCCCNC(C)C 2230a_100138425928_100009816466 [1,1,0,0,0,0|2,0,0]=4 365 B12R0.184 COC(=O)CCCCCNC(C)C 34a_100138425928_100009816466 [1,1,0,0,0,0|2,0,0]=4 366 B12R0.184 COC(=O)CCCCCOC(C)C 34a_100000074720_100000210206 [1,1,0,0,0,0|2,0,0]=4 367 B12R0.184 COC(=O)CCCCCOC(C)C 34a_100000212225_100009816466 [1,1,0,0,0,0|2,0,0]=4 368 B12R0.184 COC(=O)CCCCCOC(C)C 7a_100000074720_100000210206 [1,1,0,0,0,0|2,0,0]=4 369 B12R0.184 COC(=O)CCCCCSC(C)C 62a_100000210206_100009816466 [1,1,0,0,0,0|2,0,0]=4 370 B12R0.184 COC(=O)CCCCCSC(C)C 62a_100009816466_100000210206 [1,1,0,0,0,0|2,0,0]=4 371 B12R0.184 COC(=O)CCCCNCC(C)C 2230a_100000210953_100000204269 [1,1,0,0,0,0|2,0,0]=4 372 B12R0.184 COC(=O)CCCCNCC(C)C 34a_100000210953_100000204269 [1,1,0,0,0,0|2,0,0]=4 373 B12R0.184 COC(=O)CCCCNCC(C)O 2230a_100000210904_100000204269 [1,1,0,0,0,0|2,0,0]=4 374 B12R0.184 COC(=O)CCCCNCC(C)O 34a_100000210904_100000204269 [1,1,0,0,0,0|2,0,0]=4 375 B12R0.184 COC(=O)CCCCOCC(C)Br 34a_100012180447_100000204269 [1,1,0,0,0,0|2,0,0]=4 376 B12R0.184 COC(=O)CCCCOCC(C)C 34a_100000059025_100000210624 [1,1,0,0,0,0|2,0,0]=4 377 B12R0.184 COC(=O)CCCCOCC(C)C 34a_100000210257_100000204269 [1,1,0,0,0,0|2,0,0]=4 378 B12R0.184 COC(=O)CCCCOCC(C)C 7a_100000059025_100000210760 [1,1,0,0,0,0|2,0,0]=4 379 B12R0.184 COC(=O)CCCCOCC(C)F 34a_100015925927_100000204269 [1,1,0,0,0,0|2,0,0]=4 380 B12R0.184 COC(=O)CCCCOCC(C)O 34a_100000059025_100011218427 [1,1,0,0,0,0|2,0,0]=4 381 B12R0.184 COC(=O)CCCCOCC(C)O 7a_100000059025_100011218427 [1,1,0,0,0,0|2,0,0]=4 382 B12R0.184 COC(=O)CCCCOC[C@@H](C)Cl 34a_100016084084_100000204269 [1,1,0,0,0,0|2,0,0]=4 383 B12R0.184 COC(=O)CCCCOC[C@@H](C)N 34a_100000737577_100000204269 [1,1,0,0,0,0|1,0,0]=3 384 B12R0.184 COC(=O)CCCCOC[C@@H](C)O 34a_100000059025_100009817552 [1,1,0,0,0,0|2,0,0]=4 385 B12R0.184 COC(=O)CCCCOC[C@@H](C)O 7a_100000059025_100009817552 [1,1,0,0,0,0|2,0,0]=4 386 B12R0.184 COC(=O)CCCCSCC(C)C 62a_100000204269_100000210760 [1,1,0,0,0,0|2,0,0]=4 387 B12R0.184 COC(=O)CCCCSCC(C)C 62a_100000210624_100000204269 [1,1,0,0,0,0|2,0,0]=4 388 B12R0.184 COC(=O)CCCCSCC(C)O 62a_100000204269_100011218427 [1,1,0,0,0,0|2,0,0]=4 389 B12R0.184 COC(=O)CCCCSCC(C)O 62a_100011218427_100000204269 [1,1,0,0,0,0|2,0,0]=4 390 B12R0.184 COC(=O)CCCCSC[C@@H](C)O 62a_100000204269_100009817552 [1,1,0,0,0,0|2,0,0]=4 391 B12R0.184 COC(=O)CCCCSC[C@@H](C)O 62a_100009817552_100000204269 [1,1,0,0,0,0|2,0,0]=4 392 B12R0.184 COC(=O)CCCNCCC(C)O 2230a_200000755665_100011218270 [1,1,0,0,0,0|2,0,0]=4 393 B12R0.184 COC(=O)CCCOCCC(C)Br 34a_100009893172_100000742333 [1,1,0,0,0,0|2,0,0]=4 394 B12R0.184 COC(=O)CCCOCCC(C)C 34a_100000210254_100000742333 [1,1,0,0,0,0|2,0,0]=4 395 B12R0.184 COC(=O)CCCOCCC(C)C 7a_100000210254_100011218270 [1,1,0,0,0,0|2,0,0]=4 396 B12R0.184 COC(=O)CCCOCC[C@@H](C)N 34a_100000706166_100000742333 [1,1,0,0,0,0|1,0,0]=3 397 B12R0.184 COC(=O)CCCSCCC(C)C 62a_100000210312_100011218270 [1,1,0,0,0,0|2,0,0]=4 398 B12R0.184 COC(=O)CCCSCCC(C)C 62a_100011218270_100000210312 [1,1,0,0,0,0|2,0,0]=4 399 B12R0.184 COC(=O)CCCSCCC(C)O 62a_100011218270_100012276601 [1,1,0,0,0,0|2,0,0]=4 400 B12R0.184 COC(=O)CCCSCCC(C)O 62a_100012276601_100011218270 [1,1,0,0,0,0|2,0,0]=4 401 B12R0.184 COC(=O)CCNCCCC(C)C 2230a_200000737386_100000204255 [1,1,0,0,0,0|2,0,0]=4 402 B12R0.184 COC(=O)CCNCCCC(C)C 34a_200000737386_100000742370 [1,1,0,0,0,0|2,0,0]=4 403 B12R0.184 COC(=O)CCOCCCC(C)C 34a_100000210774_100000742370 [1,1,0,0,0,0|2,0,0]=4 404 B12R0.184 COC(=O)CCOCCCC(C)C 7a_100000210774_100000204255 [1,1,0,0,0,0|2,0,0]=4 405 B12R0.184 COC(=O)CCSCCCC(C)C 62a_100000204255_100011214892 [1,1,0,0,0,0|2,0,0]=4 406 B12R0.184 COC(=O)CCSCCCC(C)C 62a_100011214892_100000204255 [1,1,0,0,0,0|2,0,0]=4 407 B12R0.184 COC(=O)CCSCCCC(C)O 62a_100000204255_200000718107 [1,1,0,0,0,0|2,0,0]=4 408 B12R0.184 COC(=O)CCSCCCC(C)O 62a_200000718107_100000204255 [1,1,0,0,0,0|2,0,0]=4 409 B12R0.184 COC(=O)COCCCCC(C)C 34a_100011214890_100000747449 [1,1,0,0,0,0|2,0,0]=4 410 B12R0.184 COC(=O)COCCCCC(C)C 7a_100011214890_100000747449 [1,1,0,0,0,0|2,0,0]=4 411 B12R0.184 COC(=O)COCCOC[C@@H](C)N 34a_100000737577_100000090808 [1,1,0,0,0,0|2,0,0]=4 412 B12R0.184 COC(=O)CSCCCCC(C)C 62a_100000747449_100011216152 [1,1,0,0,0,0|2,0,0]=4 413 B12R0.184 COC(=O)CSCCCCC(C)C 62a_100011216152_100000747449 [1,1,0,0,0,0|2,0,0]=4 414 B12R0.184 C[C@@H](CN)CCCOCCC(=O)N 34a_100160569302_100000731001 [1,1,0,0,0,0|2,0,0]=4 415 B12R0.270 CC(C)CCCCN(C)CC(=O)O 269956a_100000746989_100011216152 [1,1,0,0,0,0|2,0,0]=4 416 B12R0.270 CC(C)CCNCC(O)CC(=O)O 269956a_100011218706_100000210312 [1,1,0,0,0,0|2,0,0]=4 417 B12R0.270 CC(O)CCNCC(O)CC(=O)O 269956a_100011218706_100012276601 [1,1,0,0,0,0|2,0,0]=4 418 B12R0.251 C=CCCCCOC[C@H](N)C(C)C 34a_100011830312_100011215482 [1,1,0,0,0,0|2,0,0]=4 419 B12R0.251 C=CCCCOCCC(N)C(C)C 34a_100161115045_100000757094 [1,1,0,0,0,0|2,0,0]=4 420 B12R0.251 CC(C)C(C)NCCCCCC=O 2230a_100000211541_100000139337 [1,1,0,0,0,0|2,0,0]=4 421 B12R0.251 CC(C)C(C)OCCCCCC=O 7a_100000748068_100000139337 [1,1,0,0,0,0|2,0,0]=4 422 B12R0.251 CC(C)C(N)CCOCCCCO 34a_100161115045_100011216708 [1,1,0,0,0,0|1,0,1]=4 423 B12R0.251 CC(C)C(O)CNCCCCC=O 2230a_100000759067_100000139335 [1,1,0,0,0,0|2,0,0]=4 424 B12R0.251 CC(C)[C@@H](N)COCCCCCO 34a_100011830312_100000746330 [1,1,0,0,0,0|1,0,1]=4 425 B12R0.35 CC(=O)CCCCOC(CN)CN 34a_100000031598_100009817362 [1,1,0,0,0,0|2,0,0]=4 426 B12R0.183 CCC(=O)CCCCCC(=O)OC 1458a_100000210414_100009816466 [1,1,0,0,0,0|1,0,1]=4 427 B12R0.183 CCC(=O)CCCCCC(=O)OC 1458a_100009848860_100000210202 [1,1,0,0,0,0|1,0,1]=4 428 B12R0.183 CCC(C)CCCOCC(=O)OC 7a_100011216074_100000747449 [1,1,0,0,0,0|2,0,0]=4 429 B12R0.183 CCC(C)CCNCCC(=O)OC 2230a_100020591266_100000204255 [1,1,0,0,0,0|2,0,0]=4 430 B12R0.183 CCC(C)CCOCCC(=O)OC 7a_100011215188_100000204255 [1,1,0,0,0,0|2,0,0]=4 431 B12R0.183 CCC(C)CNCCCC(=O)OC 2230a_100020588543_100011218270 [1,1,0,0,0,0|2,0,0]=4 432 B12R0.183 CCC(C)CSCCCC(=O)OC 62a_100000748023_100011218270 [1,1,0,0,0,0|2,0,0]=4 433 B12R0.183 CCC(C)CSCCCC(=O)OC 62a_100011218270_100000748023 [1,1,0,0,0,0|2,0,0]=4 434 B12R0.183 CCC(C)NCCCCC(=O)OC 2230a_100000209981_100000204269 [1,1,0,0,0,0|2,0,0]=4 435 B12R0.183 CCC(C)OCCCCC(=O)OC 34a_100000059025_100011215416 [1,1,0,0,0,0|2,0,0]=4 436 B12R0.183 CCC(C)OCCCCC(=O)OC 7a_100000059025_100000758301 [1,1,0,0,0,0|2,0,0]=4 437 B12R0.183 CCC(C)OCCCCC(=O)OC 7a_100000210228_100000204269 [1,1,0,0,0,0|2,0,0]=4 438 B12R0.183 CCC(C)SCCCCC(=O)OC 62a_100000204269_100000758301 [1,1,0,0,0,0|2,0,0]=4 439 B12R0.183 CCC(C)SCCCCC(=O)OC 62a_100000758301_100000204269 [1,1,0,0,0,0|2,0,0]=4 440 B12R0.183 CCC(O)CNCCCC(=O)OC 2230a_100011218483_100011218270 [1,1,0,0,0,0|2,0,0]=4 441 B12R0.183 CCC(O)CSCCCC(=O)OC 62a_100011218270_100011218378 [1,1,0,0,0,0|2,0,0]=4 442 B12R0.183 CCC(O)CSCCCC(=O)OC 62a_100011218378_100011218270 [1,1,0,0,0,0|2,0,0]=4 443 B12R0.183 CCN(C)CCCCCC(=O)OC 2230a_100000225621_100009816466 [1,1,0,0,0,0|2,0,0]=4 444 B12R0.183 CCN(C)CCCCCC(=O)OC 269982a_100000225621_100009816466 [1,1,0,0,0,0|2,0,0]=4 445 B12R0.183 CC[C@H](C)COCCCC(=O)OC 7a_100009816381_100011218270 [1,1,0,0,0,0|2,0,0]=4 446 B12R0.183 CC[C@H](C)CSCCCC(=O)OC 62a_100009816398_100011218270 [1,1,0,0,0,0|2,0,0]=4 447 B12R0.183 CC[C@H](C)CSCCCC(=O)OC 62a_100011218270_100009816398 [1,1,0,0,0,0|2,0,0]=4 448 B12R0.183 COC(=O)CCCCOC(C)CN 34a_100000210904_100000204269 [1,1,0,0,0,0|2,0,0]=4 449 B12R0.183 COC(=O)CCCOCC(C)CN 34a_100000744482_100000742333 [1,1,0,0,0,0|2,0,0]=4 450 B12R0.183 COC(=O)CCCOC[C@H](F)CN 34a_100015665980_100000742333 [1,1,0,0,0,0|2,0,0]=4 451 B12R0.183 COC(=O)COCCC[C@@H](C)CN 34a_100160569302_100000747449 [1,1,0,0,0,0|2,0,0]=4 452 B12R0.240 CCC(C)CN(C)CCCC(=O)O 269956a_100000719178_100000748023 [1,1,0,0,0,0|2,0,0]=4 453 B12R0.240 CCC(O)CN(C)CCCC(=O)O 269956a_100000719178_100011218378 [1,1,0,0,0,0|2,0,0]=4 454 B12R0.240 CC[C@H](C)CN(C)CCCC(=O)O 269956a_100000719178_100009816398 [1,1,0,0,0,0|2,0,0]=4 455 B12R0.241 CCC(C)CNCC(O)CC(=O)O 269956a_100011218706_100000748023 [1,1,0,0,0,0|2,0,0]=4 456 B12R0.241 CCC(O)CNCC(O)CC(=O)O 269956a_100011218706_100011218378 [1,1,0,0,0,0|2,0,0]=4 457 B12R0.241 CC[C@H](C)CNCC(O)CC(=O)O 269956a_100011218706_100009816398 [1,1,0,0,0,0|2,0,0]=4 458 B12R0.277 CCC[C@H](N)CCOCCC(=O)N 34a_100015193777_100000731001 [1,1,0,0,0,0|2,0,0]=4 459 B12R0.277 CCC[C@H](N)COCCCC(=O)C 34a_100000732646_100000685027 [1,1,0,0,0,0|2,0,0]=4 460 B12R0.277 CCC[C@H](N)COCCCC(=O)N 34a_100000732646_100102525003 [1,1,0,0,0,0|2,0,0]=4 461 B12R0.277 COCC(N)COCCCC(=O)C 34a_100000724102_100000685027 [1,1,0,0,0,0|2,0,0]=4 462 B12R0.277 COCC(N)COCCCC(=O)N 34a_100000724102_100102525003 [1,1,0,0,0,0|2,0,0]=4 463 B14R0.309 COC(=O)CCCOC[C@@H](N)CC(C)C 34a_100011830311_100000742333 [0,1,0,0,0,1|2,0,0]=4 464 B14R0.309 COC(=O)CCOCC[C@@H](N)CC(C)C 34a_100161151251_100000742370 [0,1,0,0,0,1|2,0,0]=4 465 B14R0.534 CNC(=O)CCCOCCC(N)C(C)C 34a_100161115045_100000741757 [0,1,0,0,0,1|2,0,0]=4 466 B14R0.534 COC(=O)CCCCCNC(C)C(C)C 2230a_100000211541_100009816466 [0,1,0,0,0,1|2,0,0]=4 467 B14R0.534 COC(=O)CCCCCOC(C)C(C)C 7a_100000748068_100009816466 [0,1,0,0,0,1|2,0,0]=4 468 B14R0.534 COC(=O)CCCCNCC(O)C(C)C 2230a_100000759067_100000204269 [0,1,0,0,0,1|2,0,0]=4 469 B14R0.534 COC(=O)CCCCNCC(O)C(C)C 34a_100000759067_100000204269 [0,1,0,0,0,1|2,0,0]=4 470 B14R0.534 COC(=O)CCCCOC[C@H](N)C(=O)N 34a_100000729942_100000204269 [0,1,0,0,0,1|1,0,1]=4 471 B14R0.534 COC(=O)CCCCOC[C@H](N)C(C)C 34a_100011830312_100000204269 [0,1,0,0,0,1|1,0,0]=3 472 B14R0.534 COC(=O)CCCOCCC(N)C(C)C 34a_100161115045_100000742333 [0,1,0,0,0,1|1,0,0]=3 473 B14R0.534 COC(=O)COCCOC[C@H](N)C(C)C 34a_100011830312_100000090808 [0,1,0,0,0,1|2,0,0]=4 474 B14R0.2311 CC(=O)CCCCOCC(CN)C(C)C 34a_100000692819_100009817362 [0,1,0,0,0,1|2,0,0]=4 475 B14R0.2311 CC(C)C(CN)OCCCCCC(=O)N 34a_100000759067_100009817443 [0,1,0,0,0,1|2,0,0]=4 476 B14R0.99 COC(=O)CC(C)OCCC(N)C(C)C 34a_100161115045_100009817358 [0,2,0,0,0,0|2,0,0]=4 477 B14R0.99 COC(=O)C[C@@H](O)COC[C@H](N)C(C)C 34a_100011830312_100000754131 [0,2,0,0,0,0|2,0,0]=4 478 B14R0.133 COC(=O)C(C)CCOC[C@H](N)C(C)C 34a_100011830312_100000034942 [0,2,0,0,0,0|2,0,0]=4 479 B14R0.133 COC(=O)C(C)COCCC(N)C(C)C 34a_100161115045_100000698445 [0,2,0,0,0,0|2,0,0]=4 480 B14R0.35 CCOC(=O)CCCOC[C@H](N)C(C)C 34a_100011830312_100009991533 [0,2,0,0,0,0|2,0,0]=4 481 B14R0.35 CCOC(=O)CCOCCC(N)C(C)C 34a_100161115045_100000765890 [0,2,0,0,0,0|2,0,0]=4 482 B14R0.193 COC(=O)CCCCOC(CN)C(C)C 34a_100000759067_100000204269 [0,2,0,0,0,0|2,0,0]=4 483 B14R0.193 COC(=O)CCCOCC(CN)C(C)C 34a_100000692819_100000742333 [0,2,0,0,0,0|2,0,0]=4 484 B12R1.105 C[C@@H](N)CCOC1COC(=O)O1 34a_100000706166_100000032252 [1,0,0,1,0,0|2,0,0]=4 485 B12R1.105 C[C@@H](N)COCC1CNC(=O)O1 34a_100000737577_100000181169 [1,0,0,1,0,0|2,0,0]=4 486 B12R1.105 C[C@@H](N)COCC1COC(=O)O1 34a_100000737577_100000073702 [1,0,0,1,0,0|2,0,0]=4 487 B12R1.261 CC(C)N1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210206 [1,0,0,1,0,0|2,0,0]=4 488 B12R1.392 CC(C)CN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210760 [1,0,0,1,0,0|2,0,0]=4 489 B12R1.392 CC(O)CN1CCC[C@H]1C(=O)O 269956a_100000743916_100011218427 [1,0,0,1,0,0|2,0,0]=4 490 B12R1.392 C[C@@H](O)CN1CCC[C@H]1C(=O)O 269956a_100000743916_100009817552 [1,0,0,1,0,0|2,0,0]=4 491 B12R1.1804 CC(C)CCN1CCC1C(=O)O 269956a_100000021838_100000210312 [1,0,0,1,0,0|2,0,0]=4 492 B12R1.1804 CC(O)CCN1CCC1C(=O)O 269956a_100000021838_100012276601 [1,0,0,1,0,0|2,0,0]=4 493 B12R1.231 CC(C)[C@@H](N)COC1CCC1=O 34a_100011830312_100009892977 [1,0,0,1,0,0|2,0,0]=4 494 B12R1.21 CC1CCC(CC1)NCC(=O)O 269956a_100016091260_200011216234 [1,0,0,1,0,0|2,0,0]=4 495 B12R1.21 NC(=O)CO[C@H]1CC[C@H](CC1)N 34a_100020628982_100000187820 [1,0,0,1,0,0|2,0,0]=4 496 B12R1.21 N[C@H]1CC[C@H](CC1)OCC(=O)[O-] 34a_100020628982_100020667443 [1,0,0,1,0,0|1,0,1]=4 497 B12R1.59 CCC1CCC(C1)CCC(=O)C 1458a_200009887184_200000210301 [1,0,0,1,0,0|2,0,0]=4 498 B12R1.59 CCC1CCC(C1)CCC(=O)[13CH3] 1458a_200009887184_200025704644 [1,0,0,1,0,0|2,0,0]=4 499 B12R1.368 CCC(C)N1CCC[C@H]1C(=O)O 269956a_100000743916_100000758301 [1,0,0,1,0,0|2,0,0]=4 500 B12R1.438 CCN1CCCC(C1)CC(=O)O 269956a_100015207179_100000210202 [1,0,0,1,0,0|2,0,0]=4 501 B12R1.1668 CCC(C)CN1CCC1C(=O)O 269956a_100000021838_100000748023 [1,0,0,1,0,0|2,0,0]=4 502 B12R1.1668 CCC(O)CN1CCC1C(=O)O 269956a_100000021838_100011218378 [1,0,0,1,0,0|2,0,0]=4 503 B12R1.1668 CC[C@H](C)CN1CCC1C(=O)O 269956a_100000021838_100009816398 [1,0,0,1,0,0|2,0,0]=4 504 B14R1.130 CC(C)C(N)CCOC1COC(=O)O1 34a_100161115045_100000032252 [0,0,0,1,0,1|2,0,0]=4 505 B14R1.130 CC(C)[C@@H](N)COCC1CNC(=O)O1 34a_100011830312_100000181169 [0,0,0,1,0,1|2,0,0]=4 506 B14R1.130 CC(C)[C@@H](N)COCC1COC(=O)O1 34a_100011830312_100000073702 [0,0,0,1,0,1|2,0,0]=4 507 B14R1.6452 CC(=O)CCCCOC[C@H](N)C1CC1 34a_100020623730_100009817362 [0,0,0,1,0,1|2,0,0]=4 508 B14R1.1129 COC(=O)CCCOC[C@H](N)C1CC1 34a_100020623730_100000742333 [0,1,0,1,0,0|2,0,0]=4 509 B12R0.268 CC(=O)CCCCOCCC(C)Br 34a_100009893172_100009817362 [1,0,0,0,0,1|2,0,0]=4 510 B12R0.268 CC(=O)CCCCOCCC(C)C 34a_100000210254_100009817362 [1,0,0,0,0,1|2,0,0]=4 511 B12R0.268 CC(=O)CCCCOCCC(C)C 7a_100000210254_100000735457 [1,0,0,0,0,1|2,0,0]=4 512 B12R0.268 CC(=O)CCCCOCC[C@@H](C)N 34a_100000706166_100009817362 [1,0,0,0,0,1|1,0,0]=3 513 B12R0.268 CC(=O)CCCCSCCC(C)C 62a_100000210312_100000735457 [1,0,0,0,0,1|2,0,0]=4 514 B12R0.268 CC(=O)CCCCSCCC(C)C 62a_100000735457_100000210312 [1,0,0,0,0,1|2,0,0]=4 515 B12R0.268 CC(=O)CCCCSCCC(C)O 62a_100000735457_100012276601 [1,0,0,0,0,1|2,0,0]=4 516 B12R0.268 CC(=O)CCCCSCCC(C)O 62a_100012276601_100000735457 [1,0,0,0,0,1|2,0,0]=4 517 B12R0.268 CC(=O)CCCNCCCC(C)C 34a_200000737386_100000685027 [1,0,0,0,0,1|2,0,0]=4 518 B12R0.268 CC(=O)CCCOCCCC(C)C 34a_100000210774_100000685027 [1,0,0,0,0,1|2,0,0]=4 519 B12R0.268 CC(=O)CCCOCCCC(C)C 34a_100000759063_100011214892 [1,0,0,0,0,1|2,0,0]=4 520 B12R0.268 CC(=O)CCCOCCCC(C)C 7a_100000210774_100011215641 [1,0,0,0,0,1|2,0,0]=4 521 B12R0.268 CC(=O)CCCOCCCC(C)C 7a_100000759063_100011214892 [1,0,0,0,0,1|2,0,0]=4 522 B12R0.268 CC(=O)CCCOCCCC(C)O 34a_100000759063_200000718107 [1,0,0,0,0,1|2,0,0]=4 523 B12R0.268 CC(=O)CCCOCCCC(C)O 7a_100000759063_200000718107 [1,0,0,0,0,1|2,0,0]=4 524 B12R0.268 CC(=O)CCCSCCCC(C)C 62a_100011214892_100011215641 [1,0,0,0,0,1|2,0,0]=4 525 B12R0.268 CC(=O)CCCSCCCC(C)C 62a_100011215641_100011214892 [1,0,0,0,0,1|2,0,0]=4 526 B12R0.268 CC(=O)CCCSCCCC(C)O 62a_100011215641_200000718107 [1,0,0,0,0,1|2,0,0]=4 527 B12R0.268 CC(=O)CCCSCCCC(C)O 62a_200000718107_100011215641 [1,0,0,0,0,1|2,0,0]=4 528 B12R0.268 CC(=O)CCOCCCCC(C)C 34a_100000759926_100011216152 [1,0,0,0,0,1|2,0,0]=4 529 B12R0.268 CC(=O)CCOCCCCC(C)C 7a_100000759926_100011216152 [1,0,0,0,0,1|2,0,0]=4 530 B12R0.268 CC(=O)CCOCCCCC(C)C 7a_100011214890_100000053229 [1,0,0,0,0,1|2,0,0]=4 531 B12R0.268 CC(=O)CCSCCCCC(C)C 62a_100000053229_100011216152 [1,0,0,0,0,1|2,0,0]=4 532 B12R0.268 CC(=O)CCSCCCCC(C)C 62a_100011216152_100000053229 [1,0,0,0,0,1|2,0,0]=4 533 B12R0.268 CC(=O)COCCCCCC(C)C 34a_100000211253_100000210682 [1,0,0,0,0,1|2,0,0]=4 534 B12R0.268 CC(=O)NCCCCCCC(C)C 11a_100000211014_100015343762 [1,0,0,0,0,1|2,0,0]=4 535 B12R0.268 CC(=O)NCCCCCCC(C)C 1626a_100000211014_100015343762 [1,0,0,0,0,1|2,0,0]=4 536 B12R0.268 CC(=O)NCCCCCCC(C)C 240690a_100000211014_100015343762 [1,0,0,0,0,1|2,0,0]=4 537 B12R0.268 CC(=O)NCCCCCCC(C)C 527a_100000211014_100103153847 [1,0,0,0,0,1|2,0,0]=4 538 B12R0.268 CC(=O)OCCCCOC[C@@H](C)N 34a_100000737577_100000033659 [1,0,0,0,0,1|2,0,0]=4 539 B12R0.268 CC(=O)OCCCOCC[C@@H](C)N 34a_100000706166_100000042594 [1,0,0,0,0,1|2,0,0]=4 540 B12R0.268 CC(=O)SCCCCOC[C@@H](C)N 34a_100000737577_200010402107 [1,0,0,0,0,1|2,0,0]=4 541 B12R0.268 CC(=O)SCCCOCC[C@@H](C)N 34a_100000706166_100000038929 [1,0,0,0,0,1|2,0,0]=4 542 B12R0.268 CC(Br)COCCCCCC(=O)N 34a_100012180447_100009817443 [1,0,0,0,0,1|2,0,0]=4 543 B12R0.268 CC(C)CCCCCNCC(=O)N 2230a_100000711301_100000210682 [1,0,0,0,0,1|2,0,0]=4 544 B12R0.268 CC(C)CCCCCNCC(=O)N 2230a_100011290863_100000747473 [1,0,0,0,0,1|2,0,0]=4 545 B12R0.268 CC(C)CCCCCNCC(=O)N 34a_100011290863_100000187820 [1,0,0,0,0,1|2,0,0]=4 546 B12R0.268 CC(C)CCCCCNCC(=O)O 269956a_100016091260_100000210682 [1,0,0,0,0,1|1,0,0]=3 547 B12R0.268 CC(C)CCCCCNCC(=O)[O-] 34a_100011290863_100020667443 [1,0,0,0,0,1|1,0,1]=4 548 B12R0.268 CC(C)CCCCCOCC(=O)N 34a_100011995859_100000187820 [1,0,0,0,0,1|2,0,0]=4 549 B12R0.268 CC(C)CCCCCOCC(=O)N 7a_100011995859_100000187820 [1,0,0,0,0,1|2,0,0]=4 550 B12R0.268 CC(C)CCCCCOCC(=O)[O-] 34a_100011995859_100020667443 [1,0,0,0,0,1|1,0,1]=4 551 B12R0.268 CC(C)CCCCCSCC(=O)N 62a_100000210682_100000747473 [1,0,0,0,0,1|2,0,0]=4 552 B12R0.268 CC(C)CCCCCSCC(=O)N 62a_100000747473_100000210682 [1,0,0,0,0,1|2,0,0]=4 553 B12R0.268 CC(C)CCCCCSCC(=O)[O-] 62a_100000210682_100020667443 [1,0,0,0,0,1|1,0,1]=4 554 B12R0.268 CC(C)CCCCCSCC(=O)[O-] 62a_100020667443_100000210682 [1,0,0,0,0,1|1,0,1]=4 555 B12R0.268 CC(C)CCCCNOCC(=O)O 269956a_100000106656_100011216152 [1,0,0,0,0,1|2,0,0]=4 556 B12R0.268 CC(C)CCCCOCCC(=O)N 34a_100000757172_100011216152 [1,0,0,0,0,1|2,0,0]=4 557 B12R0.268 CC(C)CCCCOCCC(=O)N 34a_100011214890_100000731001 [1,0,0,0,0,1|2,0,0]=4 558 B12R0.268 CC(C)CCCCOCCC(=O)N 7a_100000757172_100011216152 [1,0,0,0,0,1|2,0,0]=4 559 B12R0.268 CC(C)CCCCOCCC(=O)N 7a_100011214890_100000744528 [1,0,0,0,0,1|2,0,0]=4 560 B12R0.268 CC(C)CCCCSCCC(=O)N 62a_100000744528_100011216152 [1,0,0,0,0,1|2,0,0]=4 561 B12R0.268 CC(C)CCCCSCCC(=O)N 62a_100011216152_100000744528 [1,0,0,0,0,1|2,0,0]=4 562 B12R0.268 CC(C)CCCNCCCC(=O)N 34a_100000739312_100011214892 [1,0,0,0,0,1|2,0,0]=4 563 B12R0.268 CC(C)CCCNCCCC(=O)N 34a_200000737386_100102525003 [1,0,0,0,0,1|2,0,0]=4 564 B12R0.268 CC(C)CCCOCCCC(=O)N 34a_100000210774_100102525003 [1,0,0,0,0,1|2,0,0]=4 565 B12R0.268 CC(C)CCCOCCCC(=O)N 7a_100000210774_100102525003 [1,0,0,0,0,1|2,0,0]=4 566 B12R0.268 CC(C)CCCSCCCC(=O)N 62a_100011214892_100102525003 [1,0,0,0,0,1|2,0,0]=4 567 B12R0.268 CC(C)CCCSCCCC(=O)N 62a_100102525003_100011214892 [1,0,0,0,0,1|2,0,0]=4 568 B12R0.268 CC(C)CCNCCCCC(=O)N 269862a_100000696515_100000185833 [1,0,0,0,0,1|2,0,0]=4 569 B12R0.268 CC(C)CCNCCCCC(=O)N 34a_100000696515_100000210312 [1,0,0,0,0,1|2,0,0]=4 570 B12R0.268 CC(C)CCNCCOCC(=O)O 269956a_100000700818_100000210312 [1,0,0,0,0,1|2,0,0]=4 571 B12R0.268 CC(C)CCOCCCCC(=O)N 34a_100012022536_100000210312 [1,0,0,0,0,1|2,0,0]=4 572 B12R0.268 CC(C)CCOCCCCC(=O)N 7a_100012022536_100000210626 [1,0,0,0,0,1|2,0,0]=4 573 B12R0.268 CC(C)CNCCCCCC(=O)N 2230a_100000210953_100009817443 [1,0,0,0,0,1|2,0,0]=4 574 B12R0.268 CC(C)CNCCCCCC(=O)N 34a_100000210953_100009817443 [1,0,0,0,0,1|2,0,0]=4 575 B12R0.268 CC(C)COCCCCCC(=O)N 34a_100000123541_100000210624 [1,0,0,0,0,1|2,0,0]=4 576 B12R0.268 CC(C)COCCCCCC(=O)N 34a_100000210257_100009817443 [1,0,0,0,0,1|2,0,0]=4 577 B12R0.268 CC(C)COCCCCCC(=O)N 7a_100000123541_100000210760 [1,0,0,0,0,1|2,0,0]=4 578 B12R0.268 CC(C)COCCCCCC(=O)[O-] 7a_100102619762_100000210760 [1,0,0,0,0,1|1,0,1]=4 579 B12R0.268 CC(C)CSCCCCCC(=O)N 62a_100000210624_100009817443 [1,0,0,0,0,1|2,0,0]=4 580 B12R0.268 CC(C)CSCCCCCC(=O)N 62a_100009817443_100000210760 [1,0,0,0,0,1|2,0,0]=4 581 B12R0.268 CC(F)COCCCCCC(=O)N 34a_100015925927_100009817443 [1,0,0,0,0,1|2,0,0]=4 582 B12R0.268 CC(O)CCCNCCCC(=O)N 34a_100000739312_200000718107 [1,0,0,0,0,1|2,0,0]=4 583 B12R0.268 CC(O)CCCSCCCC(=O)N 62a_100102525003_200000718107 [1,0,0,0,0,1|2,0,0]=4 584 B12R0.268 CC(O)CCCSCCCC(=O)N 62a_200000718107_100102525003 [1,0,0,0,0,1|2,0,0]=4 585 B12R0.268 CC(O)CCNCCCCC(=O)N 34a_100000696515_100012276601 [1,0,0,0,0,1|2,0,0]=4 586 B12R0.268 CC(O)CCNCCOCC(=O)O 269956a_100000700818_100012276601 [1,0,0,0,0,1|2,0,0]=4 587 B12R0.268 CC(O)CCOCCCCC(=O)N 34a_100012022536_100012276601 [1,0,0,0,0,1|2,0,0]=4 588 B12R0.268 CC(O)CCOCCCCC(=O)N 7a_100012022536_100012276601 [1,0,0,0,0,1|2,0,0]=4 589 B12R0.268 CC(O)CNCCCCCC(=O)N 2230a_100000210904_100009817443 [1,0,0,0,0,1|2,0,0]=4 590 B12R0.268 CC(O)CNCCCCCC(=O)N 34a_100000210904_100009817443 [1,0,0,0,0,1|2,0,0]=4 591 B12R0.268 CC(O)COCCCCCC(=O)N 34a_100000123541_100011218427 [1,0,0,0,0,1|2,0,0]=4 592 B12R0.268 CC(O)COCCCCCC(=O)N 7a_100000123541_100011218427 [1,0,0,0,0,1|2,0,0]=4 593 B12R0.268 CC(O)COCCCCCC(=O)[O-] 7a_100102619762_100011218427 [1,0,0,0,0,1|1,0,1]=4 594 B12R0.268 CC(O)CSCCCCCC(=O)N 62a_100009817443_100011218427 [1,0,0,0,0,1|2,0,0]=4 595 B12R0.268 CC(O)CSCCCCCC(=O)N 62a_100011218427_100009817443 [1,0,0,0,0,1|2,0,0]=4 596 B12R0.268 C[C@@H](Cl)COCCCCCC(=O)N 34a_100016084084_100009817443 [1,0,0,0,0,1|2,0,0]=4 597 B12R0.268 C[C@@H](N)CCOCCCCB(O)O 34a_100000706166_200009817182 [1,0,0,0,0,1|1,0,1]=4 598 B12R0.268 C[C@@H](N)CCOCCOCC(=O)N 34a_100000706166_100000076697 [1,0,0,0,0,1|2,0,0]=4 599 B12R0.268 C[C@@H](N)COCCCCCB(O)O 34a_100000737577_200009817188 [1,0,0,0,0,1|1,0,1]=4 600 B12R0.268 C[C@@H](N)COCCCCCC(=O)N 34a_100000737577_100009817443 [1,0,0,0,0,1|1,0,0]=3 601 B12R0.268 C[C@@H](O)COCCCCCC(=O)N 34a_100000123541_100009817552 [1,0,0,0,0,1|2,0,0]=4 602 B12R0.268 C[C@@H](O)COCCCCCC(=O)N 7a_100000123541_100009817552 [1,0,0,0,0,1|2,0,0]=4 603 B12R0.268 C[C@@H](O)COCCCCCC(=O)[O-] 7a_100102619762_100009817552 [1,0,0,0,0,1|1,0,1]=4 604 B12R0.268 C[C@@H](O)CSCCCCCC(=O)N 62a_100009817443_100009817552 [1,0,0,0,0,1|2,0,0]=4 605 B12R0.268 C[C@@H](O)CSCCCCCC(=O)N 62a_100009817552_100009817443 [1,0,0,0,0,1|2,0,0]=4 606 B12R0.268 NC(=O)CCCCCNCC(=O)O 269956a_100016091260_100009817443 [1,0,0,0,0,1|1,0,1]=4 607 B14R0.427 CC(=O)CCCCOC[C@@H](N)CC(C)C 34a_100011830311_100009817362 [0,0,0,0,0,2|2,0,0]=4 608 B14R0.427 CC(=O)CCCOCC[C@@H](N)CC(C)C 34a_100161151251_100000685027 [0,0,0,0,0,2|2,0,0]=4 609 B14R0.427 CC(C)C[C@H](N)CCOCCCC(=O)N 34a_100161151251_100102525003 [0,0,0,0,0,2|2,0,0]=4 610 B14R0.549 CC(=O)CCCCOCCC(N)C(C)C 34a_100161115045_100009817362 [0,0,0,0,0,2|2,0,0]=4 611 B14R0.549 CC(=O)OCCCCOC[C@H](N)C(C)C 34a_100011830312_100000033659 [0,0,0,0,0,2|2,0,0]=4 612 B14R0.549 CC(=O)OCCCOCCC(N)C(C)C 34a_100161115045_100000042594 [0,0,0,0,0,2|2,0,0]=4 613 B14R0.549 CC(=O)SCCCCOC[C@H](N)C(C)C 34a_100011830312_200010402107 [0,0,0,0,0,2|2,0,0]=4 614 B14R0.549 CC(=O)SCCCOCCC(N)C(C)C 34a_100161115045_100000038929 [0,0,0,0,0,2|2,0,0]=4 615 B14R0.549 CC(C)C(N)CCOCCOCC(=O)N 34a_100161115045_100000076697 [0,0,0,0,0,2|2,0,0]=4 616 B14R0.549 CC(C)[C@@H](N)COCCCCCC(=O)N 34a_100011830312_100009817443 [0,0,0,0,0,2|2,0,0]=4