0 B11R0.29 C=C(C)CCNCC(C)C(=O)O 269956a_100000749485_100000730704 [0,0,0,0,0,0|4,0,0]=4 1 B11R0.29 C=C(C)CCNCC(F)C(=O)O 269956a_100000084737_100000730704 [0,0,0,0,0,0|4,0,0]=4 2 B11R0.29 C=C(C)CCOC[C@H](N)C(=O)N 34a_100000729942_100000730704 [0,0,0,0,0,0|4,0,0]=4 3 B11R0.29 CC(=O)C(C)COCCC(=O)N 34a_100000032740_100000731001 [0,0,0,0,0,0|4,0,0]=4 4 B11R0.29 CC(=O)C(C)COCCC(=O)N 7a_100000032740_100000744528 [0,0,0,0,0,0|4,0,0]=4 5 B11R0.29 CC(=O)C(C)OCCCC(=O)N 34a_100000212229_100102525003 [0,0,0,0,0,0|4,0,0]=4 6 B11R0.29 CC(=O)C(C)SCCCC(=O)N 62a_100009814033_100102525003 [0,0,0,0,0,0|4,0,0]=4 7 B11R0.29 CC(=O)C(C)SCCCC(=O)N 62a_100102525003_100009814033 [0,0,0,0,0,0|4,0,0]=4 8 B11R0.29 CC(=O)CCCN[C@@H](C)C(=O)O 269956a_100000743915_100011215641 [0,0,0,0,0,0|3,0,0]=3 9 B11R0.29 CC(=O)CCCN[C@H](C)C(=O)N 34a_100000119354_100000685027 [0,0,0,0,0,0|4,0,0]=4 10 B11R0.29 CC(=O)CCCOC(C)C(=O)C 34a_100000212229_100000685027 [0,0,0,0,0,0|4,0,0]=4 11 B11R0.29 CC(=O)CCCOC(C)C(=O)C 7a_100000759063_100000179758 [0,0,0,0,0,0|4,0,0]=4 12 B11R0.29 CC(=O)CCCOC(C)C(=O)N 34a_100000759063_100000702099 [0,0,0,0,0,0|4,0,0]=4 13 B11R0.29 CC(=O)CCCOC(C)C(=O)N 7a_100000759063_100000702099 [0,0,0,0,0,0|4,0,0]=4 14 B11R0.29 CC(=O)CCCOC(F)C(=O)N 34a_100000759063_100009813875 [0,0,0,0,0,0|4,0,0]=4 15 B11R0.29 CC(=O)CCCOC(F)C(=O)N 7a_100000759063_100009813875 [0,0,0,0,0,0|4,0,0]=4 16 B11R0.29 CC(=O)CCCOC(F)C(=O)[O-] 34a_100000759063_100020610796 [0,0,0,0,0,0|3,0,1]=4 17 B11R0.29 CC(=O)CCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100011215641 [0,0,0,0,0,0|3,0,1]=4 18 B11R0.29 CC(=O)CCCO[C@H](C)C(=O)N 34a_100000731257_100000685027 [0,0,0,0,0,0|4,0,0]=4 19 B11R0.29 CC(=O)CCCO[C@H](C)C(=O)N 7a_100000731257_100011215641 [0,0,0,0,0,0|4,0,0]=4 20 B11R0.29 CC(=O)CCCSC(C)C(=O)C 62a_100009814033_100011215641 [0,0,0,0,0,0|4,0,0]=4 21 B11R0.29 CC(=O)CCCSC(C)C(=O)C 62a_100011215641_100009814033 [0,0,0,0,0,0|4,0,0]=4 22 B11R0.29 CC(=O)CCCSC(C)C(=O)N 62a_100000702099_100011215641 [0,0,0,0,0,0|4,0,0]=4 23 B11R0.29 CC(=O)CCCSC(C)C(=O)N 62a_100011215641_100000702099 [0,0,0,0,0,0|4,0,0]=4 24 B11R0.29 CC(=O)CCCSC(F)C(=O)N 62a_100009813875_100011215641 [0,0,0,0,0,0|4,0,0]=4 25 B11R0.29 CC(=O)CCCSC(F)C(=O)N 62a_100011215641_100009813875 [0,0,0,0,0,0|4,0,0]=4 26 B11R0.29 CC(=O)CCCSC(F)C(=O)[O-] 62a_100011215641_100020610796 [0,0,0,0,0,0|3,0,1]=4 27 B11R0.29 CC(=O)CCCSC(F)C(=O)[O-] 62a_100020610796_100011215641 [0,0,0,0,0,0|3,0,1]=4 28 B11R0.29 CC(=O)CCNCC(C)C(=O)O 269956a_100000749485_100000053229 [0,0,0,0,0,0|3,0,0]=3 29 B11R0.29 CC(=O)CCNCC(F)C(=O)O 269956a_100000084737_100000053229 [0,0,0,0,0,0|3,0,0]=3 30 B11R0.29 CC(=O)CCOCC(C)C(=O)C 7a_100000032740_100000053229 [0,0,0,0,0,0|4,0,0]=4 31 B11R0.29 CC(=O)NCCN[C@@H](C)C(=O)O 269956a_100000743915_100000189650 [0,0,0,0,0,0|4,0,0]=4 32 B11R0.29 CC(=O)OCCN[C@@H](C)C(=O)O 269956a_100000743915_100009814007 [0,0,0,0,0,0|4,0,0]=4 33 B11R0.29 CC(=O)OCNCC(C)C(=O)O 269956a_100000749485_100000076356 [0,0,0,0,0,0|4,0,0]=4 34 B11R0.29 CC(=O)OCNCC(F)C(=O)O 269956a_100000084737_100000076356 [0,0,0,0,0,0|4,0,0]=4 35 B11R0.29 CC(=O)OCOC[C@H](N)C(=O)N 34a_100000729942_100009813279 [0,0,0,0,0,0|4,0,0]=4 36 B11R0.29 CC(CNCCC(=O)N)C(=O)O 269956a_100000749485_100000744528 [0,0,0,0,0,0|3,0,0]=3 37 B11R0.29 CC(NCCCC(=O)N)C(=O)N 34a_100000739312_100000702099 [0,0,0,0,0,0|4,0,0]=4 38 B11R0.29 CC(O)CCCN[C@@H](C)C(=O)O 269956a_100000743915_200000718107 [0,0,0,0,0,0|3,0,1]=4 39 B11R0.29 CC(O)CCNCC(C)C(=O)O 269956a_100000749485_100012276601 [0,0,0,0,0,0|3,0,1]=4 40 B11R0.29 CC(O)CCNCC(F)C(=O)O 269956a_100000084737_100012276601 [0,0,0,0,0,0|3,0,1]=4 41 B11R0.29 CC(O)CCOC[C@H](N)C(=O)N 34a_100000729942_100012276601 [0,0,0,0,0,0|3,0,1]=4 42 B11R0.29 CC(SCCCC(=O)N)C(=O)N 62a_100000702099_100102525003 [0,0,0,0,0,0|4,0,0]=4 43 B11R0.29 CC(SCCCC(=O)N)C(=O)N 62a_100102525003_100000702099 [0,0,0,0,0,0|4,0,0]=4 44 B11R0.29 C[C@@H](NCCCC(=O)N)C(=O)N 34a_100000119354_100102525003 [0,0,0,0,0,0|4,0,0]=4 45 B11R0.29 C[C@@H](OCCCC(=O)N)C(=O)N 34a_100000731257_100102525003 [0,0,0,0,0,0|4,0,0]=4 46 B11R0.29 C[C@@H](OCCCC(=O)N)C(=O)N 7a_100000731257_100102525003 [0,0,0,0,0,0|4,0,0]=4 47 B11R0.29 C[C@H](NCCCC(=O)N)C(=O)O 269956a_100000743915_100102525003 [0,0,0,0,0,0|3,0,0]=3 48 B11R0.29 C[C@H](NCCNC(=O)N)C(=O)O 269956a_100000743915_200000034859 [0,0,0,0,0,0|4,0,0]=4 49 B11R0.29 C[C@H](OCCCC(=O)N)C(=O)[O-] 7a_217856618621_100102525003 [0,0,0,0,0,0|3,0,1]=4 50 B11R0.29 NC(=O)CCCNC(F)C(=O)N 34a_100000739312_100009813875 [0,0,0,0,0,0|4,0,0]=4 51 B11R0.29 NC(=O)CCCNC(F)C(=O)[O-] 34a_100000739312_100020610796 [0,0,0,0,0,0|3,0,1]=4 52 B11R0.29 NC(=O)CCCSC(F)C(=O)N 62a_100009813875_100102525003 [0,0,0,0,0,0|4,0,0]=4 53 B11R0.29 NC(=O)CCCSC(F)C(=O)N 62a_100102525003_100009813875 [0,0,0,0,0,0|4,0,0]=4 54 B11R0.29 NC(=O)CCCSC(F)C(=O)[O-] 62a_100020610796_100102525003 [0,0,0,0,0,0|3,0,1]=4 55 B11R0.29 NC(=O)CCCSC(F)C(=O)[O-] 62a_100102525003_100020610796 [0,0,0,0,0,0|3,0,1]=4 56 B11R0.29 NC(=O)CCNCC(F)C(=O)O 269956a_100000084737_100000744528 [0,0,0,0,0,0|3,0,0]=3 57 B11R0.29 NC(=O)CCOC[C@H](N)C(=O)N 34a_100000729942_100000731001 [0,0,0,0,0,0|3,0,0]=3 58 B10R0.55 C=C[C@H](N)COCCC(=O)N 34a_100016989147_100000731001 [1,0,0,0,0,0|3,0,0]=4 59 B10R0.75 C=CCCCN[C@@H](C)C(=O)O 269956a_100000743915_100011713584 [1,0,0,0,0,0|3,0,0]=4 60 B10R0.75 C=CCCNCC(C)C(=O)O 269956a_100000749485_100000754431 [1,0,0,0,0,0|3,0,0]=4 61 B10R0.75 C=CCCNCC(F)C(=O)O 269956a_100000084737_100000754431 [1,0,0,0,0,0|3,0,0]=4 62 B10R0.75 C=CCCOC[C@H](N)C(=O)N 34a_100000729942_100000754431 [1,0,0,0,0,0|3,0,0]=4 63 B10R0.75 CC(=O)C(C)SCCCC=O 62a_100009814033_200011292268 [1,0,0,0,0,0|3,0,0]=4 64 B10R0.75 CC(=O)C(C)SCCCC=O 62a_200011292268_100009814033 [1,0,0,0,0,0|3,0,0]=4 65 B10R0.75 CC(CNCCCO)C(=O)O 269956a_100000749485_100011215043 [1,0,0,0,0,0|2,0,1]=4 66 B10R0.75 CC(SCCCC=O)C(=O)N 62a_100000702099_200011292268 [1,0,0,0,0,0|3,0,0]=4 67 B10R0.75 CC(SCCCC=O)C(=O)N 62a_200011292268_100000702099 [1,0,0,0,0,0|3,0,0]=4 68 B10R0.75 C[C@@H](NCCCC=O)C(=O)N 2230a_100000119354_200011292268 [1,0,0,0,0,0|3,0,0]=4 69 B10R0.75 C[C@@H](OCCCC=O)C(=O)N 7a_100000731257_200011292268 [1,0,0,0,0,0|3,0,0]=4 70 B10R0.75 C[C@H](NCCCC=O)C(=O)O 269956a_100000743915_200011292268 [1,0,0,0,0,0|2,0,0]=3 71 B10R0.75 C[C@H](NCCCCO)C(=O)O 269956a_100000743915_100000210776 [1,0,0,0,0,0|2,0,1]=4 72 B10R0.75 C[C@H](OCCCC=O)C(=O)[O-] 7a_217856618621_200011292268 [1,0,0,0,0,0|2,0,1]=4 73 B10R0.75 NC(=O)C(F)SCCCC=O 62a_100009813875_200011292268 [1,0,0,0,0,0|3,0,0]=4 74 B10R0.75 NC(=O)C(F)SCCCC=O 62a_200011292268_100009813875 [1,0,0,0,0,0|3,0,0]=4 75 B10R0.75 NC(=O)[C@@H](N)COCCCO 34a_100000729942_100000230001 [1,0,0,0,0,0|2,0,1]=4 76 B10R0.75 O=C(O)C(F)CNCCCO 269956a_100000084737_100011215043 [1,0,0,0,0,0|2,0,1]=4 77 B10R0.75 O=CCCCSC(F)C(=O)[O-] 62a_100020610796_200011292268 [1,0,0,0,0,0|2,0,1]=4 78 B10R0.75 O=CCCCSC(F)C(=O)[O-] 62a_200011292268_100020610796 [1,0,0,0,0,0|2,0,1]=4 79 B10R0.97 CC(=O)CCCCCB(O)O 1458a_100000070787_200009817188 [1,0,0,0,0,0|2,0,1]=4 80 B10R0.97 CC(=O)CCCCCC(=O)N 1458a_100000070787_100009817443 [1,0,0,0,0,0|2,0,0]=3 81 B10R0.97 CC(=O)CCCCC[N+](=O)[O-] 1458a_100000043470_200000210301 [1,0,0,0,0,0|2,0,1]=4 82 B10R0.97 CC(=O)CCCCOC(=O)C 1458a_100000070787_100000033659 [1,0,0,0,0,0|3,0,0]=4 83 B10R0.97 CC(=O)CCCCSC(=O)C 1458a_100000070787_200010402107 [1,0,0,0,0,0|3,0,0]=4 84 B10R0.97 CC(=O)CCCNCC(=O)O 269956a_100016091260_100011215641 [1,0,0,0,0,0|2,0,0]=3 85 B10R0.97 CC(=O)CCCOCC(=O)C 34a_100000211253_100000685027 [1,0,0,0,0,0|3,0,0]=4 86 B10R0.97 CC(=O)CCCOCC(=O)N 34a_100000759063_100000187820 [1,0,0,0,0,0|3,0,0]=4 87 B10R0.97 CC(=O)CCCOCC(=O)N 7a_100000759063_100000187820 [1,0,0,0,0,0|3,0,0]=4 88 B10R0.97 CC(=O)CCCOCC(=O)[O-] 34a_100000759063_100020667443 [1,0,0,0,0,0|2,0,1]=4 89 B10R0.97 CC(=O)CCCSCC(=O)N 62a_100000747473_100011215641 [1,0,0,0,0,0|3,0,0]=4 90 B10R0.97 CC(=O)CCCSCC(=O)N 62a_100011215641_100000747473 [1,0,0,0,0,0|3,0,0]=4 91 B10R0.97 CC(=O)CCCSCC(=O)[O-] 62a_100011215641_100020667443 [1,0,0,0,0,0|2,0,1]=4 92 B10R0.97 CC(=O)CCCSCC(=O)[O-] 62a_100020667443_100011215641 [1,0,0,0,0,0|2,0,1]=4 93 B10R0.97 CC(=O)CCNOCC(=O)O 269956a_100000106656_100000053229 [1,0,0,0,0,0|3,0,0]=4 94 B10R0.97 CC(=O)CCOCCC(=O)C 7a_100000759926_100000053229 [1,0,0,0,0,0|3,0,0]=4 95 B10R0.97 CC(=O)CCOCCC(=O)N 34a_100000759926_100000731001 [1,0,0,0,0,0|3,0,0]=4 96 B10R0.97 CC(=O)CCOCCC(=O)N 7a_100000757172_100000053229 [1,0,0,0,0,0|3,0,0]=4 97 B10R0.97 CC(=O)CCOCCC(=O)N 7a_100000759926_100000744528 [1,0,0,0,0,0|3,0,0]=4 98 B10R0.97 CC(=O)CCSCCC(=O)C 62a_100000053229_100000053229 [1,0,0,0,0,0|3,0,0]=4 99 B10R0.97 CC(=O)CCSCCC(=O)N 62a_100000053229_100000744528 [1,0,0,0,0,0|3,0,0]=4 100 B10R0.97 CC(=O)CCSCCC(=O)N 62a_100000744528_100000053229 [1,0,0,0,0,0|3,0,0]=4 101 B10R0.97 CC(=O)COCCCC(=O)N 34a_100000211253_100102525003 [1,0,0,0,0,0|3,0,0]=4 102 B10R0.97 CC(=O)NCCCCC(=O)N 11a_100000696515_100015343762 [1,0,0,0,0,0|3,0,0]=4 103 B10R0.97 CC(=O)NCCCCC(=O)N 1626a_100000696515_100015343762 [1,0,0,0,0,0|3,0,0]=4 104 B10R0.97 CC(=O)NCCCCC(=O)N 240690a_100000696515_100015343762 [1,0,0,0,0,0|3,0,0]=4 105 B10R0.97 CC(=O)NCCCCC(=O)N 527a_100000696515_100103153847 [1,0,0,0,0,0|3,0,0]=4 106 B10R0.97 CC(=O)NCCNCC(=O)O 269956a_100016091260_100000189650 [1,0,0,0,0,0|3,0,0]=4 107 B10R0.97 CC(=O)OCCNCC(=O)O 269956a_100016091260_100009814007 [1,0,0,0,0,0|3,0,0]=4 108 B10R0.97 CC(O)CCCNCC(=O)O 269956a_100016091260_200000718107 [1,0,0,0,0,0|2,0,1]=4 109 B10R0.97 NC(=O)CCCNCC(=O)N 34a_100000739312_100000187820 [1,0,0,0,0,0|3,0,0]=4 110 B10R0.97 NC(=O)CCCNCC(=O)O 269956a_100016091260_100102525003 [1,0,0,0,0,0|2,0,0]=3 111 B10R0.97 NC(=O)CCCNCC(=O)[O-] 34a_100000739312_100020667443 [1,0,0,0,0,0|2,0,1]=4 112 B10R0.97 NC(=O)CCCSCC(=O)N 62a_100000747473_100102525003 [1,0,0,0,0,0|3,0,0]=4 113 B10R0.97 NC(=O)CCCSCC(=O)N 62a_100102525003_100000747473 [1,0,0,0,0,0|3,0,0]=4 114 B10R0.97 NC(=O)CCCSCC(=O)[O-] 62a_100020667443_100102525003 [1,0,0,0,0,0|2,0,1]=4 115 B10R0.97 NC(=O)CCCSCC(=O)[O-] 62a_100102525003_100020667443 [1,0,0,0,0,0|2,0,1]=4 116 B10R0.97 NC(=O)CCNOCC(=O)O 269956a_100000106656_100000744528 [1,0,0,0,0,0|3,0,0]=4 117 B10R0.97 NC(=O)CCOCCC(=O)N 34a_100000757172_100000731001 [1,0,0,0,0,0|3,0,0]=4 118 B10R0.97 NC(=O)CCOCCC(=O)N 7a_100000757172_100000744528 [1,0,0,0,0,0|3,0,0]=4 119 B10R0.97 NC(=O)CCSCCC(=O)N 62a_100000744528_100000744528 [1,0,0,0,0,0|3,0,0]=4 120 B10R0.97 NC(=O)NCCNCC(=O)O 269956a_100016091260_200000034859 [1,0,0,0,0,0|3,0,0]=4 121 B10R0.97 [13CH3]C(=O)CCCCC[N+](=O)[O-] 1458a_100000043470_200025704644 [1,0,0,0,0,0|2,0,1]=4 122 B12R0.86 C=C(C)CCOC[C@@H](N)C(=O)OC 34a_100000003586_100000730704 [0,1,0,0,0,0|3,0,0]=4 123 B12R0.86 COC(=O)C(C)CCNCC(=O)N 2230a_100000711301_100000034942 [0,1,0,0,0,0|3,0,0]=4 124 B12R0.86 COC(=O)C(C)CCNCC(=O)O 269956a_100016091260_100000034942 [0,1,0,0,0,0|2,0,0]=3 125 B12R0.86 COC(=O)C(C)CCOCC(=O)C 34a_100000211253_100000034942 [0,1,0,0,0,0|3,0,0]=4 126 B12R0.86 COC(=O)C(C)CCSCC(=O)N 62a_100000034942_100000747473 [0,1,0,0,0,0|3,0,0]=4 127 B12R0.86 COC(=O)C(C)CCSCC(=O)N 62a_100000747473_100000034942 [0,1,0,0,0,0|3,0,0]=4 128 B12R0.86 COC(=O)C(C)CCSCC(=O)[O-] 62a_100000034942_100020667443 [0,1,0,0,0,0|2,0,1]=4 129 B12R0.86 COC(=O)C(C)CCSCC(=O)[O-] 62a_100020667443_100000034942 [0,1,0,0,0,0|2,0,1]=4 130 B12R0.86 COC(=O)C(C)COCCC(=O)C 34a_100000759926_100000698445 [0,1,0,0,0,0|3,0,0]=4 131 B12R0.86 COC(=O)C(C)COCCC(=O)C 7a_100000749362_100000053229 [0,1,0,0,0,0|3,0,0]=4 132 B12R0.86 COC(=O)C(C)COCCC(=O)N 34a_100000749362_100000731001 [0,1,0,0,0,0|3,0,0]=4 133 B12R0.86 COC(=O)C(C)COCCC(=O)N 34a_100000757172_100000698445 [0,1,0,0,0,0|3,0,0]=4 134 B12R0.86 COC(=O)C(C)COCCC(=O)N 7a_100000749362_100000744528 [0,1,0,0,0,0|3,0,0]=4 135 B12R0.86 COC(=O)C(C)CSCCC(=O)C 62a_100000053229_100000698445 [0,1,0,0,0,0|3,0,0]=4 136 B12R0.86 COC(=O)C(C)CSCCC(=O)C 62a_100000698445_100000053229 [0,1,0,0,0,0|3,0,0]=4 137 B12R0.86 COC(=O)C(C)CSCCC(=O)N 62a_100000698445_100000744528 [0,1,0,0,0,0|3,0,0]=4 138 B12R0.86 COC(=O)C(C)CSCCC(=O)N 62a_100000744528_100000698445 [0,1,0,0,0,0|3,0,0]=4 139 B12R0.86 COC(=O)C(C)NCCCC(=O)N 34a_100000739312_100000211248 [0,1,0,0,0,0|3,0,0]=4 140 B12R0.86 COC(=O)C(C)OCCCC(=O)C 34a_100000759063_100000211248 [0,1,0,0,0,0|3,0,0]=4 141 B12R0.86 COC(=O)C(C)OCCCC(=O)C 34a_100011215400_100000685027 [0,1,0,0,0,0|3,0,0]=4 142 B12R0.86 COC(=O)C(C)OCCCC(=O)C 7a_100000759063_100000211248 [0,1,0,0,0,0|3,0,0]=4 143 B12R0.86 COC(=O)C(C)OCCCC(=O)N 34a_100011215400_100102525003 [0,1,0,0,0,0|3,0,0]=4 144 B12R0.86 COC(=O)C(C)SCCCC(=O)C 62a_100000211248_100011215641 [0,1,0,0,0,0|3,0,0]=4 145 B12R0.86 COC(=O)C(C)SCCCC(=O)C 62a_100011215641_100000211248 [0,1,0,0,0,0|3,0,0]=4 146 B12R0.86 COC(=O)C(C)SCCCC(=O)N 62a_100000211248_100102525003 [0,1,0,0,0,0|3,0,0]=4 147 B12R0.86 COC(=O)C(C)SCCCC(=O)N 62a_100102525003_100000211248 [0,1,0,0,0,0|3,0,0]=4 148 B12R0.86 COC(=O)C(F)COCCC(=O)N 34a_200009849844_100000731001 [0,1,0,0,0,0|3,0,0]=4 149 B12R0.86 COC(=O)[C@H](N)COCCC(=O)N 34a_100000003586_100000731001 [0,1,0,0,0,0|2,0,0]=3 150 B12R0.86 COC(=O)[C@H](N)COCCC(C)O 34a_100000003586_100012276601 [0,1,0,0,0,0|2,0,1]=4 151 B12R0.86 COC(=O)[C@H](N)COCOC(=O)C 34a_100000003586_100009813279 [0,1,0,0,0,0|3,0,0]=4 152 B12R0.86 NNC(=O)C(N)COCCC(=O)N 34a_100016989258_100000731001 [0,1,0,0,0,0|3,0,0]=4 153 B12R0.186 CNC(=O)CCCN[C@@H](C)C(=O)O 269956a_100000743915_100000741757 [0,1,0,0,0,0|3,0,0]=4 154 B12R0.186 CNC(=O)CCNCC(C)C(=O)O 269956a_100000749485_100000737683 [0,1,0,0,0,0|3,0,0]=4 155 B12R0.186 CNC(=O)CCNCC(F)C(=O)O 269956a_100000084737_100000737683 [0,1,0,0,0,0|3,0,0]=4 156 B12R0.186 CNC(=O)CCOC[C@H](N)C(=O)N 34a_100000729942_100012179268 [0,1,0,0,0,0|3,0,0]=4 157 B12R0.186 COC(=O)CCCN[C@@H](C)C(=O)O 269956a_100000743915_100011218270 [0,1,0,0,0,0|2,0,0]=3 158 B12R0.186 COC(=O)CCCN[C@H](C)C(=O)N 2230a_100000119354_100011218270 [0,1,0,0,0,0|3,0,0]=4 159 B12R0.186 COC(=O)CCCN[C@H](C)C(=O)N 34a_100000119354_100000742333 [0,1,0,0,0,0|3,0,0]=4 160 B12R0.186 COC(=O)CCCOC(C)C(=O)C 34a_100000212229_100000742333 [0,1,0,0,0,0|3,0,0]=4 161 B12R0.186 COC(=O)CCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100011218270 [0,1,0,0,0,0|2,0,1]=4 162 B12R0.186 COC(=O)CCCO[C@H](C)C(=O)N 34a_100000731257_100000742333 [0,1,0,0,0,0|3,0,0]=4 163 B12R0.186 COC(=O)CCCO[C@H](C)C(=O)N 7a_100000731257_100011218270 [0,1,0,0,0,0|3,0,0]=4 164 B12R0.186 COC(=O)CCCSC(C)C(=O)C 62a_100009814033_100011218270 [0,1,0,0,0,0|3,0,0]=4 165 B12R0.186 COC(=O)CCCSC(C)C(=O)C 62a_100011218270_100009814033 [0,1,0,0,0,0|3,0,0]=4 166 B12R0.186 COC(=O)CCCSC(C)C(=O)N 62a_100000702099_100011218270 [0,1,0,0,0,0|3,0,0]=4 167 B12R0.186 COC(=O)CCCSC(C)C(=O)N 62a_100011218270_100000702099 [0,1,0,0,0,0|3,0,0]=4 168 B12R0.186 COC(=O)CCCSC(F)C(=O)N 62a_100009813875_100011218270 [0,1,0,0,0,0|3,0,0]=4 169 B12R0.186 COC(=O)CCCSC(F)C(=O)N 62a_100011218270_100009813875 [0,1,0,0,0,0|3,0,0]=4 170 B12R0.186 COC(=O)CCCSC(F)C(=O)[O-] 62a_100011218270_100020610796 [0,1,0,0,0,0|2,0,1]=4 171 B12R0.186 COC(=O)CCCSC(F)C(=O)[O-] 62a_100020610796_100011218270 [0,1,0,0,0,0|2,0,1]=4 172 B12R0.186 COC(=O)CCNCC(C)C(=O)O 269956a_100000749485_100000204255 [0,1,0,0,0,0|2,0,0]=3 173 B12R0.186 COC(=O)CCNCC(F)C(=O)O 269956a_100000084737_100000204255 [0,1,0,0,0,0|2,0,0]=3 174 B12R0.186 COC(=O)CCOCC(C)C(=O)C 34a_100000032740_100000742370 [0,1,0,0,0,0|3,0,0]=4 175 B12R0.186 COC(=O)CCOCC(C)C(=O)C 7a_100000032740_100000204255 [0,1,0,0,0,0|3,0,0]=4 176 B12R0.186 COC(=O)CCOC[C@H](N)C(=O)N 34a_100000729942_100000742370 [0,1,0,0,0,0|2,0,0]=3 177 B12R0.238 C=C[C@H](NCCCC(=O)C)C(=O)O 269956a_100016992060_100011215641 [0,1,0,0,0,0|3,0,0]=4 178 B12R0.238 C=C[C@H](NCCCC(=O)N)C(=O)O 269956a_100016992060_100102525003 [0,1,0,0,0,0|3,0,0]=4 179 B12R0.238 CC(=O)CCCNC(CO)C(=O)O 269956a_100000187304_100011215641 [0,1,0,0,0,0|3,0,0]=4 180 B12R0.238 CC[C@@H](NCCCC(=O)C)C(=O)O 269956a_100000747097_100011215641 [0,1,0,0,0,0|3,0,0]=4 181 B12R0.238 CC[C@@H](NCCCC(=O)N)C(=O)O 269956a_100000747097_100102525003 [0,1,0,0,0,0|3,0,0]=4 182 B12R0.238 CN(C)CCCC[C@H](N[13CH3])C(=O)O 269956a_200015235947_200025704644 [0,1,0,0,0,0|3,0,0]=4 183 B12R0.238 CN[C@@H](CCCCN(C)C)C(=O)O 269956a_200015235947_200000210301 [0,1,0,0,0,0|3,0,0]=4 184 B12R0.238 NC(=O)CCCNC(CO)C(=O)O 269956a_100000187304_100102525003 [0,1,0,0,0,0|3,0,0]=4 185 B12R0.686 CC(=O)C(C)N(C)CCCC(=O)O 269956a_100000719178_100009814033 [0,1,0,0,0,0|3,0,0]=4 186 B12R0.686 CC(=O)CCCN(C)C(C)C(=O)O 269956a_100000749554_100011215641 [0,1,0,0,0,0|3,0,0]=4 187 B12R0.686 CC(C(=O)O)N(C)CCCC(=O)N 269956a_100000749554_100102525003 [0,1,0,0,0,0|3,0,0]=4 188 B12R0.686 C[C@@H](OCCC(=O)N)[C@H](N)C(=O)N 34a_100000003557_100000731001 [0,1,0,0,0,0|3,0,0]=4 189 B12R0.687 CC(=O)C(C)NCC(O)CC(=O)O 269956a_100011218706_100009814033 [0,1,0,0,0,0|3,0,0]=4 190 B12R0.692 CC(=O)CCNCC(C)(C)C(=O)O 269956a_100000693527_100000053229 [0,1,0,0,0,0|3,0,0]=4 191 B12R0.692 CC(=O)CCNCC(F)(F)C(=O)O 269956a_100000734215_100000053229 [0,1,0,0,0,0|3,0,0]=4 192 B12R0.692 CC(C)(CNCCC(=O)N)C(=O)O 269956a_100000693527_100000744528 [0,1,0,0,0,0|3,0,0]=4 193 B12R0.692 NC(=O)CCNCC(F)(F)C(=O)O 269956a_100000734215_100000744528 [0,1,0,0,0,0|3,0,0]=4 194 B12R1.229 O=C(O)CNCCC1CCC1=O 269956a_100016091260_200016118888 [0,0,0,1,0,0|3,0,0]=4 195 B12R1.1039 CC(CNC1CC(=O)C1)C(=O)O 269956a_100000749485_100009894365 [0,0,0,1,0,0|3,0,0]=4 196 B12R1.1039 C[C@H](NCC1CC(=O)C1)C(=O)O 269956a_100000743915_100009874392 [0,0,0,1,0,0|3,0,0]=4 197 B12R1.1039 O=C1CC(C1)NCC(F)C(=O)O 269956a_100000084737_100009894365 [0,0,0,1,0,0|3,0,0]=4 198 B12R1.1344 NC(=O)CN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100000187820 [0,0,0,1,0,0|3,0,0]=4 199 B12R1.1344 O=C([O-])CN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100020667443 [0,0,0,1,0,0|2,0,1]=4 200 B12R1.1382 CC(=O)C(C)N1CCC1C(=O)O 269956a_100000021838_100009814033 [0,0,0,1,0,0|3,0,0]=4 201 B10R0.98 CC(=O)CCN[C@@H](C)C(=O)O 269956a_100000743915_100000053229 [0,0,0,0,1,0|3,0,0]=4 202 B10R0.98 CC(CNCC(=O)N)C(=O)O 269956a_100000749485_100000187820 [0,0,0,0,1,0|3,0,0]=4 203 B10R0.98 CC(CNCC(=O)[O-])C(=O)O 269956a_100000749485_100020667443 [0,0,0,0,1,0|2,0,1]=4 204 B10R0.98 C[C@H](NCCC(=O)N)C(=O)O 269956a_100000743915_100000744528 [0,0,0,0,1,0|3,0,0]=4 205 B10R0.98 NC(=O)CNCC(F)C(=O)O 269956a_100000084737_100000187820 [0,0,0,0,1,0|3,0,0]=4 206 B10R0.98 NC(=O)COC[C@H](N)C(=O)N 34a_100000729942_100000187820 [0,0,0,0,1,0|3,0,0]=4 207 B10R0.98 NC(=O)[C@@H](N)COCC(=O)[O-] 34a_100000729942_100020667443 [0,0,0,0,1,0|2,0,1]=4 208 B10R0.98 O=C([O-])CNCC(F)C(=O)O 269956a_100000084737_100020667443 [0,0,0,0,1,0|2,0,1]=4 209 B12R0.42 CC(=O)C(C)COCCCC(=O)N 34a_100000032740_100102525003 [0,0,0,0,0,1|3,0,0]=4 210 B12R0.42 CC(=O)C(C)COCCCC(=O)N 7a_100000032740_100102525003 [0,0,0,0,0,1|3,0,0]=4 211 B12R0.42 CC(=O)C(C)NCCOCC(=O)O 269956a_100000700818_100009814033 [0,0,0,0,0,1|3,0,0]=4 212 B12R0.42 CC(=O)C(C)OCCCCC(=O)N 7a_100012022536_100000179758 [0,0,0,0,0,1|3,0,0]=4 213 B12R0.42 CC(=O)CCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000735457 [0,0,0,0,0,1|2,0,0]=3 214 B12R0.42 CC(=O)CCCCN[C@H](C)C(=O)N 34a_100000119354_100009817362 [0,0,0,0,0,1|3,0,0]=4 215 B12R0.42 CC(=O)CCCCOC(C)C(=O)C 34a_100000212229_100009817362 [0,0,0,0,0,1|3,0,0]=4 216 B12R0.42 CC(=O)CCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000735457 [0,0,0,0,0,1|2,0,1]=4 217 B12R0.42 CC(=O)CCCCO[C@H](C)C(=O)N 34a_100000731257_100009817362 [0,0,0,0,0,1|3,0,0]=4 218 B12R0.42 CC(=O)CCCCO[C@H](C)C(=O)N 7a_100000731257_100000735457 [0,0,0,0,0,1|3,0,0]=4 219 B12R0.42 CC(=O)CCCCSC(C)C(=O)C 62a_100000735457_100009814033 [0,0,0,0,0,1|3,0,0]=4 220 B12R0.42 CC(=O)CCCCSC(C)C(=O)C 62a_100009814033_100000735457 [0,0,0,0,0,1|3,0,0]=4 221 B12R0.42 CC(=O)CCCCSC(C)C(=O)N 62a_100000702099_100000735457 [0,0,0,0,0,1|3,0,0]=4 222 B12R0.42 CC(=O)CCCCSC(C)C(=O)N 62a_100000735457_100000702099 [0,0,0,0,0,1|3,0,0]=4 223 B12R0.42 CC(=O)CCCCSC(F)C(=O)N 62a_100000735457_100009813875 [0,0,0,0,0,1|3,0,0]=4 224 B12R0.42 CC(=O)CCCCSC(F)C(=O)N 62a_100009813875_100000735457 [0,0,0,0,0,1|3,0,0]=4 225 B12R0.42 CC(=O)CCCCSC(F)C(=O)[O-] 62a_100000735457_100020610796 [0,0,0,0,0,1|2,0,1]=4 226 B12R0.42 CC(=O)CCCCSC(F)C(=O)[O-] 62a_100020610796_100000735457 [0,0,0,0,0,1|2,0,1]=4 227 B12R0.42 CC(=O)CCCNCC(C)C(=O)O 269956a_100000749485_100011215641 [0,0,0,0,0,1|2,0,0]=3 228 B12R0.42 CC(=O)CCCNCC(F)C(=O)O 269956a_100000084737_100011215641 [0,0,0,0,0,1|2,0,0]=3 229 B12R0.42 CC(=O)CCCOCC(C)C(=O)C 34a_100000032740_100000685027 [0,0,0,0,0,1|3,0,0]=4 230 B12R0.42 CC(=O)CCCOCC(C)C(=O)C 7a_100000032740_100011215641 [0,0,0,0,0,1|3,0,0]=4 231 B12R0.42 CC(=O)CCCOC[C@H](N)C(=O)N 34a_100000729942_100000685027 [0,0,0,0,0,1|2,0,0]=3 232 B12R0.42 CC(=O)NCCNCC(C)C(=O)O 269956a_100000749485_100000189650 [0,0,0,0,0,1|3,0,0]=4 233 B12R0.42 CC(=O)NCCNCC(F)C(=O)O 269956a_100000084737_100000189650 [0,0,0,0,0,1|3,0,0]=4 234 B12R0.42 CC(=O)OCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000042594 [0,0,0,0,0,1|3,0,0]=4 235 B12R0.42 CC(=O)OCCNCC(C)C(=O)O 269956a_100000749485_100009814007 [0,0,0,0,0,1|3,0,0]=4 236 B12R0.42 CC(=O)OCCNCC(F)C(=O)O 269956a_100000084737_100009814007 [0,0,0,0,0,1|3,0,0]=4 237 B12R0.42 CC(=O)OCCOC[C@H](N)C(=O)N 34a_100000729942_100009814007 [0,0,0,0,0,1|3,0,0]=4 238 B12R0.42 CC(=O)SCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000038929 [0,0,0,0,0,1|3,0,0]=4 239 B12R0.42 CC(CNCCCC(=O)N)C(=O)O 269956a_100000749485_100102525003 [0,0,0,0,0,1|2,0,0]=3 240 B12R0.42 CC(CNCCNC(=O)N)C(=O)O 269956a_100000749485_200000034859 [0,0,0,0,0,1|3,0,0]=4 241 B12R0.42 CC(NCCCCC(=O)N)C(=O)N 34a_100000696515_100000702099 [0,0,0,0,0,1|3,0,0]=4 242 B12R0.42 CC(O)CCCNCC(C)C(=O)O 269956a_100000749485_200000718107 [0,0,0,0,0,1|2,0,1]=4 243 B12R0.42 CC(O)CCCNCC(F)C(=O)O 269956a_100000084737_200000718107 [0,0,0,0,0,1|2,0,1]=4 244 B12R0.42 CC(O)CCCOC[C@H](N)C(=O)N 34a_100000729942_200000718107 [0,0,0,0,0,1|2,0,1]=4 245 B12R0.42 CC(OCCCCC(=O)N)C(=O)N 34a_100012022536_100000702099 [0,0,0,0,0,1|3,0,0]=4 246 B12R0.42 CC(OCCCCC(=O)N)C(=O)N 7a_100012022536_100000702099 [0,0,0,0,0,1|3,0,0]=4 247 B12R0.42 C[C@H](NCCCCB(O)O)C(=O)O 269956a_100000743915_200009817182 [0,0,0,0,0,1|2,0,1]=4 248 B12R0.42 C[C@H](NCCOCC(=O)N)C(=O)O 269956a_100000743915_100000076697 [0,0,0,0,0,1|3,0,0]=4 249 B12R0.42 NC(=O)CCCCNC(F)C(=O)N 34a_100000696515_100009813875 [0,0,0,0,0,1|3,0,0]=4 250 B12R0.42 NC(=O)CCCCNC(F)C(=O)[O-] 34a_100000696515_100020610796 [0,0,0,0,0,1|2,0,1]=4 251 B12R0.42 NC(=O)CCCCOC(F)C(=O)N 34a_100012022536_100009813875 [0,0,0,0,0,1|3,0,0]=4 252 B12R0.42 NC(=O)CCCCOC(F)C(=O)N 7a_100012022536_100009813875 [0,0,0,0,0,1|3,0,0]=4 253 B12R0.42 NC(=O)CCCCOC(F)C(=O)[O-] 34a_100012022536_100020610796 [0,0,0,0,0,1|2,0,1]=4 254 B12R0.42 NC(=O)CCCNCC(F)C(=O)O 269956a_100000084737_100102525003 [0,0,0,0,0,1|2,0,0]=3 255 B12R0.42 NC(=O)CCCOC[C@H](N)C(=O)N 34a_100000729942_100102525003 [0,0,0,0,0,1|2,0,0]=3 256 B12R0.42 NC(=O)NCCNCC(F)C(=O)O 269956a_100000084737_200000034859 [0,0,0,0,0,1|3,0,0]=4 257 B12R0.42 NC(=O)OCCOC[C@H](N)C(=O)N 34a_100000729942_200011214921 [0,0,0,0,0,1|3,0,0]=4 258 B12R0.270 CC(=O)CCCCN(C)CC(=O)O 269956a_100000746989_100000735457 [0,0,0,0,0,1|3,0,0]=4 259 B12R0.270 CC(=O)CCNCC(O)CC(=O)O 269956a_100011218706_100000053229 [0,0,0,0,0,1|3,0,0]=4 260 B12R0.270 NC(=O)CCNCC(O)CC(=O)O 269956a_100011218706_100000744528 [0,0,0,0,0,1|3,0,0]=4 261 B9R0.2 C=CCCCCCC(=O)C 1458a_100000070787_100000700193 [2,0,0,0,0,0|2,0,0]=4 262 B9R0.2 C=CCCCCCC(=O)C 1458a_100011934241_200000210301 [2,0,0,0,0,0|2,0,0]=4 263 B9R0.2 C=CCCCCCC(=O)[13CH3] 1458a_100011934241_200025704644 [2,0,0,0,0,0|2,0,0]=4 264 B9R0.2 C=CCCCNCC(=O)O 269956a_100016091260_100011713584 [2,0,0,0,0,0|2,0,0]=4 265 B9R0.2 CC(=O)CCCCCCO 1458a_100000070787_100000766143 [2,0,0,0,0,0|1,0,1]=4 266 B9R0.2 CC(=O)CCCCCCO 1458a_100011996774_200000210301 [2,0,0,0,0,0|1,0,1]=4 267 B9R0.2 CC(=O)CCCOCC=O 34a_100000759063_200009817547 [2,0,0,0,0,0|2,0,0]=4 268 B9R0.2 CC(=O)CCCOCC=O 7a_100000759063_200015260668 [2,0,0,0,0,0|2,0,0]=4 269 B9R0.2 CC(=O)CCCSCC=O 62a_100011215641_200015260668 [2,0,0,0,0,0|2,0,0]=4 270 B9R0.2 CC(=O)CCCSCC=O 62a_200015260668_100011215641 [2,0,0,0,0,0|2,0,0]=4 271 B9R0.2 NC(=O)CCCNCC=O 34a_100000739312_200009817547 [2,0,0,0,0,0|2,0,0]=4 272 B9R0.2 NC(=O)CCCSCC=O 62a_100102525003_200015260668 [2,0,0,0,0,0|2,0,0]=4 273 B9R0.2 NC(=O)CCCSCC=O 62a_200015260668_100102525003 [2,0,0,0,0,0|2,0,0]=4 274 B9R0.2 NC(=O)CNCCCC=O 2230a_100000711301_200011292268 [2,0,0,0,0,0|2,0,0]=4 275 B9R0.2 NC(=O)CSCCCC=O 62a_100000747473_200011292268 [2,0,0,0,0,0|2,0,0]=4 276 B9R0.2 NC(=O)CSCCCC=O 62a_200011292268_100000747473 [2,0,0,0,0,0|2,0,0]=4 277 B9R0.2 O=C(O)CNCCCCO 269956a_100016091260_100000210776 [2,0,0,0,0,0|1,0,1]=4 278 B9R0.2 O=CCCCNCC(=O)O 269956a_100016091260_200011292268 [2,0,0,0,0,0|1,0,0]=3 279 B9R0.2 O=CCCCSCC(=O)[O-] 62a_100020667443_200011292268 [2,0,0,0,0,0|1,0,1]=4 280 B9R0.2 O=CCCCSCC(=O)[O-] 62a_200011292268_100020667443 [2,0,0,0,0,0|1,0,1]=4 281 B9R0.2 [13CH3]C(=O)CCCCCCO 1458a_100011996774_200025704644 [2,0,0,0,0,0|1,0,1]=4 282 B9R0.55 CC(O)CCNCC(=O)O 269956a_100016091260_100012276601 [2,0,0,0,0,0|2,0,0]=4 283 B9R0.55 NC(=O)CCNCC(=O)O 269956a_100016091260_100000744528 [2,0,0,0,0,0|1,0,1]=4 284 B9R0.47 CC(CNCC=O)C(=O)O 269956a_100000749485_200015260668 [2,0,0,0,0,0|2,0,0]=4 285 B9R0.47 CC(CNCCO)C(=O)O 269956a_100000749485_100000211926 [2,0,0,0,0,0|2,0,0]=4 286 B9R0.47 C[C@H](NCCCO)C(=O)O 269956a_100000743915_100011215043 [2,0,0,0,0,0|2,0,0]=4 287 B9R0.47 NC(=O)[C@@H](N)COCC=O 34a_100000729942_200009817547 [2,0,0,0,0,0|2,0,0]=4 288 B9R0.47 NC(=O)[C@@H](N)COCCO 34a_100000729942_100000211926 [2,0,0,0,0,0|2,0,0]=4 289 B9R0.47 O=C(O)C(F)CNCCO 269956a_100000084737_100000211926 [2,0,0,0,0,0|2,0,0]=4 290 B9R0.47 O=CCNCC(F)C(=O)O 269956a_100000084737_200015260668 [2,0,0,0,0,0|2,0,0]=4 291 B11R0.106 C=C[C@H](N)COCCC(=O)OC 34a_100016989147_100000742370 [1,1,0,0,0,0|2,0,0]=4 292 B11R0.42 C=CCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100011215482 [1,1,0,0,0,0|2,0,0]=4 293 B11R0.42 C=CCCCNCC(C)C(=O)O 269956a_100000749485_100011713584 [1,1,0,0,0,0|2,0,0]=4 294 B11R0.42 C=CCCCNCC(F)C(=O)O 269956a_100000084737_100011713584 [1,1,0,0,0,0|2,0,0]=4 295 B11R0.42 C=CCCCOC[C@H](N)C(=O)N 34a_100000729942_100000757094 [1,1,0,0,0,0|2,0,0]=4 296 B11R0.42 CC(=O)C(C)COCCCC=O 7a_100000032740_200011292268 [1,1,0,0,0,0|2,0,0]=4 297 B11R0.42 CC(=O)C(C)SCCCCC=O 62a_100000139335_100009814033 [1,1,0,0,0,0|2,0,0]=4 298 B11R0.42 CC(=O)C(C)SCCCCC=O 62a_100009814033_100000139335 [1,1,0,0,0,0|2,0,0]=4 299 B11R0.42 CC(CNCCCC=O)C(=O)O 269956a_100000749485_200011292268 [1,1,0,0,0,0|1,0,0]=3 300 B11R0.42 CC(CNCCCCO)C(=O)O 269956a_100000749485_100000210776 [1,1,0,0,0,0|1,0,1]=4 301 B11R0.42 CC(SCCCCC=O)C(=O)N 62a_100000139335_100000702099 [1,1,0,0,0,0|2,0,0]=4 302 B11R0.42 CC(SCCCCC=O)C(=O)N 62a_100000702099_100000139335 [1,1,0,0,0,0|2,0,0]=4 303 B11R0.42 C[C@@H](NCCCCC=O)C(=O)N 2230a_100000119354_100000139335 [1,1,0,0,0,0|2,0,0]=4 304 B11R0.42 C[C@@H](OCCCCC=O)C(=O)N 7a_100000731257_100000139335 [1,1,0,0,0,0|2,0,0]=4 305 B11R0.42 C[C@H](NCCCCC=O)C(=O)O 269956a_100000743915_100000139335 [1,1,0,0,0,0|1,0,0]=3 306 B11R0.42 C[C@H](NCCCCCO)C(=O)O 269956a_100000743915_100000746330 [1,1,0,0,0,0|1,0,1]=4 307 B11R0.42 C[C@H](OCCCCC=O)C(=O)[O-] 7a_217856618621_100000139335 [1,1,0,0,0,0|1,0,1]=4 308 B11R0.42 NC(=O)C(F)SCCCCC=O 62a_100000139335_100009813875 [1,1,0,0,0,0|2,0,0]=4 309 B11R0.42 NC(=O)C(F)SCCCCC=O 62a_100009813875_100000139335 [1,1,0,0,0,0|2,0,0]=4 310 B11R0.42 NC(=O)[C@@H](N)COCCCCO 34a_100000729942_100011216708 [1,1,0,0,0,0|1,0,1]=4 311 B11R0.42 O=C(O)C(F)CNCCCCO 269956a_100000084737_100000210776 [1,1,0,0,0,0|1,0,1]=4 312 B11R0.42 O=CCCCCSC(F)C(=O)[O-] 62a_100000139335_100020610796 [1,1,0,0,0,0|1,0,1]=4 313 B11R0.42 O=CCCCCSC(F)C(=O)[O-] 62a_100020610796_100000139335 [1,1,0,0,0,0|1,0,1]=4 314 B11R0.42 O=CCCCNCC(F)C(=O)O 269956a_100000084737_200011292268 [1,1,0,0,0,0|1,0,0]=3 315 B11R0.76 C=C[C@H](NCCCC=O)C(=O)O 269956a_100016992060_200011292268 [1,1,0,0,0,0|2,0,0]=4 316 B11R0.76 CC[C@@H](NCCCC=O)C(=O)O 269956a_100000747097_200011292268 [1,1,0,0,0,0|2,0,0]=4 317 B11R0.76 O=CCCCNC(CO)C(=O)O 269956a_100000187304_200011292268 [1,1,0,0,0,0|2,0,0]=4 318 B11R0.139 CC(C(=O)O)N(C)CCCC=O 269956a_100000749554_200011292268 [1,1,0,0,0,0|2,0,0]=4 319 B11R0.142 C=CCCOC[C@@H](N)C(=O)OC 34a_100000003586_100000754431 [1,1,0,0,0,0|2,0,0]=4 320 B11R0.142 COC(=O)C(C)CCSCC=O 62a_100000034942_200015260668 [1,1,0,0,0,0|2,0,0]=4 321 B11R0.142 COC(=O)C(C)CCSCC=O 62a_200015260668_100000034942 [1,1,0,0,0,0|2,0,0]=4 322 B11R0.142 COC(=O)C(C)SCCCC=O 62a_100000211248_200011292268 [1,1,0,0,0,0|2,0,0]=4 323 B11R0.142 COC(=O)C(C)SCCCC=O 62a_200011292268_100000211248 [1,1,0,0,0,0|2,0,0]=4 324 B11R0.142 COC(=O)[C@H](N)COCCCO 34a_100000003586_100000230001 [1,1,0,0,0,0|1,0,1]=4 325 B11R0.6 CC(=O)CCCN(C)CC(=O)O 269956a_100000746989_100011215641 [1,1,0,0,0,0|2,0,0]=4 326 B11R0.6 CN(CCCC(=O)N)CC(=O)O 269956a_100000746989_100102525003 [1,1,0,0,0,0|2,0,0]=4 327 B11R0.6 CN(CCCC(=O)O)CC(=O)N 269956a_100000719178_100000187820 [1,1,0,0,0,0|2,0,0]=4 328 B11R0.6 CN(CCCC(=O)O)CC(=O)[O-] 269956a_100000719178_100020667443 [1,1,0,0,0,0|1,0,1]=4 329 B11R0.6 NC(=O)CNCC(O)CC(=O)O 269956a_100011218706_100000187820 [1,1,0,0,0,0|2,0,0]=4 330 B11R0.6 O=C([O-])CNCC(O)CC(=O)O 269956a_100011218706_100020667443 [1,1,0,0,0,0|1,0,1]=4 331 B11R0.111 C#CC(=O)CCCCCC(=O)N 1458a_100000211873_100009817443 [1,1,0,0,0,0|2,0,0]=4 332 B11R0.111 C=CC(=O)CCCCCC(=O)N 1458a_100000185746_100009817443 [1,1,0,0,0,0|2,0,0]=4 333 B11R0.111 CC(=O)OCCCCC(=O)CO 1458a_100000210174_100000033659 [1,1,0,0,0,0|2,0,0]=4 334 B11R0.111 CC(=O)SCCCCC(=O)CO 1458a_100000210174_200010402107 [1,1,0,0,0,0|2,0,0]=4 335 B11R0.111 CCC(=O)CCCCCC(=O)N 1458a_100000210414_100009817443 [1,1,0,0,0,0|2,0,0]=4 336 B11R0.111 CNC(=O)CCCNCC(=O)O 269956a_100016091260_100000741757 [1,1,0,0,0,0|2,0,0]=4 337 B11R0.111 COC(=O)CCCCCC(=O)C 1458a_100000070787_100009816466 [1,1,0,0,0,0|1,0,0]=3 338 B11R0.111 COC(=O)CCCCCC(=O)C 1458a_100009848860_200000210301 [1,1,0,0,0,0|1,0,0]=3 339 B11R0.111 COC(=O)CCCCCC(=O)[13CH3] 1458a_100009848860_200025704644 [1,1,0,0,0,0|1,0,0]=3 340 B11R0.111 COC(=O)CCCCNC(=O)C 188690a_100000746077_100015343762 [1,1,0,0,0,0|2,0,0]=4 341 B11R0.111 COC(=O)CCCNCC(=O)N 2230a_100000711301_100011218270 [1,1,0,0,0,0|2,0,0]=4 342 B11R0.111 COC(=O)CCCNCC(=O)O 269956a_100016091260_100011218270 [1,1,0,0,0,0|1,0,0]=3 343 B11R0.111 COC(=O)CCCOCC(=O)C 34a_100000211253_100000742333 [1,1,0,0,0,0|2,0,0]=4 344 B11R0.111 COC(=O)CCCSCC(=O)N 62a_100000747473_100011218270 [1,1,0,0,0,0|2,0,0]=4 345 B11R0.111 COC(=O)CCCSCC(=O)N 62a_100011218270_100000747473 [1,1,0,0,0,0|2,0,0]=4 346 B11R0.111 COC(=O)CCCSCC(=O)[O-] 62a_100011218270_100020667443 [1,1,0,0,0,0|1,0,1]=4 347 B11R0.111 COC(=O)CCCSCC(=O)[O-] 62a_100020667443_100011218270 [1,1,0,0,0,0|1,0,1]=4 348 B11R0.111 COC(=O)CCNOCC(=O)O 269956a_100000106656_100000204255 [1,1,0,0,0,0|2,0,0]=4 349 B11R0.111 COC(=O)CCOCCC(=O)C 34a_100000759926_100000742370 [1,1,0,0,0,0|2,0,0]=4 350 B11R0.111 COC(=O)CCOCCC(=O)C 7a_100000759926_100000204255 [1,1,0,0,0,0|2,0,0]=4 351 B11R0.111 COC(=O)CCOCCC(=O)N 34a_100000757172_100000742370 [1,1,0,0,0,0|2,0,0]=4 352 B11R0.111 COC(=O)CCOCCC(=O)N 7a_100000757172_100000204255 [1,1,0,0,0,0|2,0,0]=4 353 B11R0.111 COC(=O)CCSCCC(=O)C 62a_100000053229_100000204255 [1,1,0,0,0,0|2,0,0]=4 354 B11R0.111 COC(=O)CCSCCC(=O)C 62a_100000204255_100000053229 [1,1,0,0,0,0|2,0,0]=4 355 B11R0.111 COC(=O)CCSCCC(=O)N 62a_100000204255_100000744528 [1,1,0,0,0,0|2,0,0]=4 356 B11R0.111 COC(=O)CCSCCC(=O)N 62a_100000744528_100000204255 [1,1,0,0,0,0|2,0,0]=4 357 B11R0.111 COC(=O)CNCCCC(=O)N 34a_100000739312_100000747449 [1,1,0,0,0,0|2,0,0]=4 358 B11R0.111 COC(=O)COCCCC(=O)C 34a_100000759063_100000747449 [1,1,0,0,0,0|2,0,0]=4 359 B11R0.111 COC(=O)COCCCC(=O)C 7a_100000759063_100000747449 [1,1,0,0,0,0|2,0,0]=4 360 B11R0.111 COC(=O)CSCCCC(=O)C 62a_100000747449_100011215641 [1,1,0,0,0,0|2,0,0]=4 361 B11R0.111 COC(=O)CSCCCC(=O)C 62a_100011215641_100000747449 [1,1,0,0,0,0|2,0,0]=4 362 B11R0.111 COC(=O)CSCCCC(=O)N 62a_100000747449_100102525003 [1,1,0,0,0,0|2,0,0]=4 363 B11R0.111 COC(=O)CSCCCC(=O)N 62a_100102525003_100000747449 [1,1,0,0,0,0|2,0,0]=4 364 B11R0.111 NC(=O)CCCCCC(=O)CO 1458a_100000210174_100009817443 [1,1,0,0,0,0|1,0,0]=3 365 B11R0.111 NC(=O)CCCCNC(=O)CO 240690a_100000696515_100000210174 [1,1,0,0,0,0|2,0,0]=4 366 B11R0.111 NC(=O)CCCCNC(=O)CO 527a_100000696515_100000210174 [1,1,0,0,0,0|2,0,0]=4 367 B11R0.111 O=C(CO)CCCCCB(O)O 1458a_100000210174_200009817188 [1,1,0,0,0,0|1,0,1]=4 368 B13R0.50 CC(=O)CCCCN(C)C(C)C(=O)O 269956a_100000749554_100000735457 [0,1,0,0,0,1|2,0,0]=4 369 B13R0.50 CC(=O)CCCO[C@H](C)[C@H](N)C(=O)N 34a_100000003557_100000685027 [0,1,0,0,0,1|2,0,0]=4 370 B13R0.50 C[C@@H](OCCCC(=O)N)[C@H](N)C(=O)N 34a_100000003557_100102525003 [0,1,0,0,0,1|2,0,0]=4 371 B13R0.101 CC(=O)CCCOCC(N)C(=O)NN 34a_100016989258_100000685027 [0,1,0,0,0,1|2,0,0]=4 372 B13R0.101 COC(=O)C(C)CCNOCC(=O)O 269956a_100000106656_100000034942 [0,1,0,0,0,1|2,0,0]=4 373 B13R0.101 COC(=O)C(C)CCOCCC(=O)C 34a_100000759926_100000034942 [0,1,0,0,0,1|2,0,0]=4 374 B13R0.101 COC(=O)C(C)CCOCCC(=O)C 7a_100000759926_100000034942 [0,1,0,0,0,1|2,0,0]=4 375 B13R0.101 COC(=O)C(C)CCOCCC(=O)N 34a_100000757172_100000034942 [0,1,0,0,0,1|2,0,0]=4 376 B13R0.101 COC(=O)C(C)CCOCCC(=O)N 7a_100000757172_100000034942 [0,1,0,0,0,1|2,0,0]=4 377 B13R0.101 COC(=O)C(C)CCSCCC(=O)C 62a_100000034942_100000053229 [0,1,0,0,0,1|2,0,0]=4 378 B13R0.101 COC(=O)C(C)CCSCCC(=O)C 62a_100000053229_100000034942 [0,1,0,0,0,1|2,0,0]=4 379 B13R0.101 COC(=O)C(C)CCSCCC(=O)N 62a_100000034942_100000744528 [0,1,0,0,0,1|2,0,0]=4 380 B13R0.101 COC(=O)C(C)CCSCCC(=O)N 62a_100000744528_100000034942 [0,1,0,0,0,1|2,0,0]=4 381 B13R0.101 COC(=O)C(C)CNCCCC(=O)N 34a_100000739312_100000698445 [0,1,0,0,0,1|2,0,0]=4 382 B13R0.101 COC(=O)C(C)COCCCC(=O)C 34a_100000749362_100000685027 [0,1,0,0,0,1|2,0,0]=4 383 B13R0.101 COC(=O)C(C)COCCCC(=O)C 34a_100000759063_100000698445 [0,1,0,0,0,1|2,0,0]=4 384 B13R0.101 COC(=O)C(C)COCCCC(=O)C 7a_100000749362_100011215641 [0,1,0,0,0,1|2,0,0]=4 385 B13R0.101 COC(=O)C(C)COCCCC(=O)N 34a_100000749362_100102525003 [0,1,0,0,0,1|2,0,0]=4 386 B13R0.101 COC(=O)C(C)COCCCC(=O)N 7a_100000749362_100102525003 [0,1,0,0,0,1|2,0,0]=4 387 B13R0.101 COC(=O)C(C)CSCCCC(=O)C 62a_100000698445_100011215641 [0,1,0,0,0,1|2,0,0]=4 388 B13R0.101 COC(=O)C(C)CSCCCC(=O)C 62a_100011215641_100000698445 [0,1,0,0,0,1|2,0,0]=4 389 B13R0.101 COC(=O)C(C)CSCCCC(=O)N 62a_100000698445_100102525003 [0,1,0,0,0,1|2,0,0]=4 390 B13R0.101 COC(=O)C(C)CSCCCC(=O)N 62a_100102525003_100000698445 [0,1,0,0,0,1|2,0,0]=4 391 B13R0.101 COC(=O)C(C)NCCCCC(=O)N 34a_100000696515_100000211248 [0,1,0,0,0,1|2,0,0]=4 392 B13R0.101 COC(=O)C(C)OCCCCC(=O)C 34a_100011215400_100009817362 [0,1,0,0,0,1|2,0,0]=4 393 B13R0.101 COC(=O)C(C)OCCCCC(=O)N 34a_100012022536_100000211248 [0,1,0,0,0,1|2,0,0]=4 394 B13R0.101 COC(=O)C(C)OCCCCC(=O)N 7a_100012022536_100000211248 [0,1,0,0,0,1|2,0,0]=4 395 B13R0.101 COC(=O)C(C)SCCCCC(=O)C 62a_100000211248_100000735457 [0,1,0,0,0,1|2,0,0]=4 396 B13R0.101 COC(=O)C(C)SCCCCC(=O)C 62a_100000735457_100000211248 [0,1,0,0,0,1|2,0,0]=4 397 B13R0.101 COC(=O)C(F)COCCCC(=O)C 34a_200009849844_100000685027 [0,1,0,0,0,1|2,0,0]=4 398 B13R0.101 COC(=O)C(F)COCCCC(=O)N 34a_200009849844_100102525003 [0,1,0,0,0,1|2,0,0]=4 399 B13R0.101 COC(=O)[C@H](N)COCCCC(=O)C 34a_100000003586_100000685027 [0,1,0,0,0,1|1,0,0]=3 400 B13R0.101 COC(=O)[C@H](N)COCCCC(=O)N 34a_100000003586_100102525003 [0,1,0,0,0,1|1,0,0]=3 401 B13R0.101 COC(=O)[C@H](N)COCCCC(C)O 34a_100000003586_200000718107 [0,1,0,0,0,1|1,0,1]=4 402 B13R0.101 COC(=O)[C@H](N)COCCOC(=O)C 34a_100000003586_100009814007 [0,1,0,0,0,1|2,0,0]=4 403 B13R0.101 COC(=O)[C@H](N)COCCOC(=O)N 34a_100000003586_200011214921 [0,1,0,0,0,1|2,0,0]=4 404 B13R0.101 NNC(=O)C(N)COCCCC(=O)N 34a_100016989258_100102525003 [0,1,0,0,0,1|2,0,0]=4 405 B13R0.204 CNC(=O)CCCNCC(C)C(=O)O 269956a_100000749485_100000741757 [0,1,0,0,0,1|2,0,0]=4 406 B13R0.204 CNC(=O)CCCNCC(F)C(=O)O 269956a_100000084737_100000741757 [0,1,0,0,0,1|2,0,0]=4 407 B13R0.204 CNC(=O)CCCOC[C@H](N)C(=O)N 34a_100000729942_100000741757 [0,1,0,0,0,1|2,0,0]=4 408 B13R0.204 COC(=O)CCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000204269 [0,1,0,0,0,1|1,0,0]=3 409 B13R0.204 COC(=O)CCCCN[C@H](C)C(=O)N 2230a_100000119354_100000204269 [0,1,0,0,0,1|2,0,0]=4 410 B13R0.204 COC(=O)CCCCN[C@H](C)C(=O)N 34a_100000119354_100000204269 [0,1,0,0,0,1|2,0,0]=4 411 B13R0.204 COC(=O)CCCCOC(C)C(=O)C 34a_100000212229_100000204269 [0,1,0,0,0,1|2,0,0]=4 412 B13R0.204 COC(=O)CCCCOC(C)C(=O)C 7a_100000059025_100000179758 [0,1,0,0,0,1|2,0,0]=4 413 B13R0.204 COC(=O)CCCCOC(C)C(=O)N 34a_100000059025_100000702099 [0,1,0,0,0,1|2,0,0]=4 414 B13R0.204 COC(=O)CCCCOC(C)C(=O)N 7a_100000059025_100000702099 [0,1,0,0,0,1|2,0,0]=4 415 B13R0.204 COC(=O)CCCCOC(F)C(=O)N 34a_100000059025_100009813875 [0,1,0,0,0,1|2,0,0]=4 416 B13R0.204 COC(=O)CCCCOC(F)C(=O)N 7a_100000059025_100009813875 [0,1,0,0,0,1|2,0,0]=4 417 B13R0.204 COC(=O)CCCCOC(F)C(=O)[O-] 34a_100000059025_100020610796 [0,1,0,0,0,1|1,0,1]=4 418 B13R0.204 COC(=O)CCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000204269 [0,1,0,0,0,1|1,0,1]=4 419 B13R0.204 COC(=O)CCCCO[C@H](C)C(=O)N 34a_100000731257_100000204269 [0,1,0,0,0,1|2,0,0]=4 420 B13R0.204 COC(=O)CCCCO[C@H](C)C(=O)N 7a_100000731257_100000204269 [0,1,0,0,0,1|2,0,0]=4 421 B13R0.204 COC(=O)CCCCSC(C)C(=O)C 62a_100000204269_100009814033 [0,1,0,0,0,1|2,0,0]=4 422 B13R0.204 COC(=O)CCCCSC(C)C(=O)C 62a_100009814033_100000204269 [0,1,0,0,0,1|2,0,0]=4 423 B13R0.204 COC(=O)CCCCSC(C)C(=O)N 62a_100000204269_100000702099 [0,1,0,0,0,1|2,0,0]=4 424 B13R0.204 COC(=O)CCCCSC(C)C(=O)N 62a_100000702099_100000204269 [0,1,0,0,0,1|2,0,0]=4 425 B13R0.204 COC(=O)CCCCSC(F)C(=O)N 62a_100000204269_100009813875 [0,1,0,0,0,1|2,0,0]=4 426 B13R0.204 COC(=O)CCCCSC(F)C(=O)N 62a_100009813875_100000204269 [0,1,0,0,0,1|2,0,0]=4 427 B13R0.204 COC(=O)CCCCSC(F)C(=O)[O-] 62a_100000204269_100020610796 [0,1,0,0,0,1|1,0,1]=4 428 B13R0.204 COC(=O)CCCCSC(F)C(=O)[O-] 62a_100020610796_100000204269 [0,1,0,0,0,1|1,0,1]=4 429 B13R0.204 COC(=O)CCCNCC(C)C(=O)O 269956a_100000749485_100011218270 [0,1,0,0,0,1|1,0,0]=3 430 B13R0.204 COC(=O)CCCNCC(F)C(=O)O 269956a_100000084737_100011218270 [0,1,0,0,0,1|1,0,0]=3 431 B13R0.204 COC(=O)CCCOCC(C)C(=O)C 34a_100000032740_100000742333 [0,1,0,0,0,1|2,0,0]=4 432 B13R0.204 COC(=O)CCCOCC(C)C(=O)C 7a_100000032740_100011218270 [0,1,0,0,0,1|2,0,0]=4 433 B13R0.204 COC(=O)CCCOC[C@H](N)C(=O)N 34a_100000729942_100000742333 [0,1,0,0,0,1|1,0,0]=3 434 B13R0.364 C=C[C@H](NCCCCC(=O)C)C(=O)O 269956a_100016992060_100000735457 [0,1,0,0,0,1|2,0,0]=4 435 B13R0.364 CC(=O)CCCCNC(CO)C(=O)O 269956a_100000187304_100000735457 [0,1,0,0,0,1|2,0,0]=4 436 B13R0.364 CC[C@@H](NCCCCC(=O)C)C(=O)O 269956a_100000747097_100000735457 [0,1,0,0,0,1|2,0,0]=4 437 B13R0.1406 CC(=O)CCCNCC(C)(C)C(=O)O 269956a_100000693527_100011215641 [0,1,0,0,0,1|2,0,0]=4 438 B13R0.1406 CC(=O)CCCNCC(F)(F)C(=O)O 269956a_100000734215_100011215641 [0,1,0,0,0,1|2,0,0]=4 439 B13R0.1406 CC(C)(CNCCCC(=O)N)C(=O)O 269956a_100000693527_100102525003 [0,1,0,0,0,1|2,0,0]=4 440 B13R0.1406 NC(=O)CCCNCC(F)(F)C(=O)O 269956a_100000734215_100102525003 [0,1,0,0,0,1|2,0,0]=4 441 B13R0.198 COC(=O)CCCCN(C)CC(=O)O 269956a_100000746989_100000204269 [0,1,0,0,0,1|2,0,0]=4 442 B13R0.198 COC(=O)CCNCC(O)CC(=O)O 269956a_100011218706_100000204255 [0,1,0,0,0,1|2,0,0]=4 443 B13R0.98 COC(=O)C(C)CCN(C)CC(=O)O 269956a_100000746989_100000034942 [0,2,0,0,0,0|2,0,0]=4 444 B13R0.100 COC(=O)C(C)CCN[C@@H](C)C(=O)O 269956a_100000743915_100000034942 [0,2,0,0,0,0|2,0,0]=4 445 B13R0.100 COC(=O)C(C)COC[C@H](N)C(=O)N 34a_100000729942_100000698445 [0,2,0,0,0,0|2,0,0]=4 446 B13R0.250 CNC(=O)CCOC[C@@H](N)C(=O)OC 34a_100000003586_100012179268 [0,2,0,0,0,0|2,0,0]=4 447 B13R0.250 COC(=O)CCCOC(C)C(=O)OC 34a_100011215400_100000742333 [0,2,0,0,0,0|2,0,0]=4 448 B13R0.250 COC(=O)CCCSC(C)C(=O)OC 62a_100000211248_100011218270 [0,2,0,0,0,0|2,0,0]=4 449 B13R0.250 COC(=O)CCCSC(C)C(=O)OC 62a_100011218270_100000211248 [0,2,0,0,0,0|2,0,0]=4 450 B13R0.250 COC(=O)CCOCC(C)C(=O)OC 34a_100000749362_100000742370 [0,2,0,0,0,0|2,0,0]=4 451 B13R0.250 COC(=O)CCOCC(C)C(=O)OC 7a_100000749362_100000204255 [0,2,0,0,0,0|2,0,0]=4 452 B13R0.250 COC(=O)CCOCC(F)C(=O)OC 34a_200009849844_100000742370 [0,2,0,0,0,0|2,0,0]=4 453 B13R0.250 COC(=O)CCOCC(N)C(=O)NN 34a_100016989258_100000742370 [0,2,0,0,0,0|2,0,0]=4 454 B13R0.250 COC(=O)CCOC[C@@H](N)C(=O)OC 34a_100000003586_100000742370 [0,2,0,0,0,0|1,0,0]=3 455 B13R0.250 COC(=O)CCSCC(C)C(=O)OC 62a_100000204255_100000698445 [0,2,0,0,0,0|2,0,0]=4 456 B13R0.250 COC(=O)CCSCC(C)C(=O)OC 62a_100000698445_100000204255 [0,2,0,0,0,0|2,0,0]=4 457 B13R0.250 COC(=O)CSCCC(C)C(=O)OC 62a_100000034942_100000747449 [0,2,0,0,0,0|2,0,0]=4 458 B13R0.250 COC(=O)CSCCC(C)C(=O)OC 62a_100000747449_100000034942 [0,2,0,0,0,0|2,0,0]=4 459 B13R0.255 COC(=O)[C@@H](N)[C@@H](C)OCCC(=O)N 34a_100000004424_100000731001 [0,2,0,0,0,0|2,0,0]=4 460 B13R0.925 COC(=O)C(CN)OCCCC(=O)C 34a_100000695228_100000685027 [0,2,0,0,0,0|2,0,0]=4 461 B13R0.925 COC(=O)C(CN)OCCCC(=O)N 34a_100000695228_100102525003 [0,2,0,0,0,0|2,0,0]=4 462 B13R0.91 CCOC(=O)CCCN[C@@H](C)C(=O)O 269956a_100000743915_100009991533 [0,2,0,0,0,0|2,0,0]=4 463 B13R0.91 CCOC(=O)CCNCC(C)C(=O)O 269956a_100000749485_100000765890 [0,2,0,0,0,0|2,0,0]=4 464 B13R0.91 CCOC(=O)CCNCC(F)C(=O)O 269956a_100000084737_100000765890 [0,2,0,0,0,0|2,0,0]=4 465 B13R0.91 CCOC(=O)CCOC[C@H](N)C(=O)N 34a_100000729942_100000765890 [0,2,0,0,0,0|2,0,0]=4 466 B13R0.164 COC(=O)CCNCC(C)(C)C(=O)O 269956a_100000693527_100000204255 [0,2,0,0,0,0|2,0,0]=4 467 B13R0.164 COC(=O)CCNCC(F)(F)C(=O)O 269956a_100000734215_100000204255 [0,2,0,0,0,0|2,0,0]=4 468 B13R0.248 COC(=O)CCCN(C)C(C)C(=O)O 269956a_100000749554_100011218270 [0,2,0,0,0,0|2,0,0]=4 469 B13R0.248 COC(=O)CCO[C@H](C)[C@H](N)C(=O)N 34a_100000003557_100000742370 [0,2,0,0,0,0|2,0,0]=4 470 B13R0.249 COC(=O)CC(C)NCC(C)C(=O)O 269956a_100000749485_100009817358 [0,2,0,0,0,0|2,0,0]=4 471 B13R0.249 COC(=O)CC(C)NCC(F)C(=O)O 269956a_100000084737_100009817358 [0,2,0,0,0,0|2,0,0]=4 472 B13R0.249 COC(=O)CC(C)OC[C@H](N)C(=O)N 34a_100000729942_100009817358 [0,2,0,0,0,0|2,0,0]=4 473 B13R0.249 COC(=O)C[C@@H](O)CN[C@@H](C)C(=O)O 269956a_100000743915_100000754131 [0,2,0,0,0,0|2,0,0]=4 474 B13R0.1247 C=C[C@H](NCCCC(=O)OC)C(=O)O 269956a_100016992060_100011218270 [0,2,0,0,0,0|2,0,0]=4 475 B13R0.1247 CC[C@@H](NCCCC(=O)OC)C(=O)O 269956a_100000747097_100011218270 [0,2,0,0,0,0|2,0,0]=4 476 B13R0.1247 COC(=O)CCCNC(CO)C(=O)O 269956a_100000187304_100011218270 [0,2,0,0,0,0|2,0,0]=4 477 B11R1.142 C[C@H](NC1CCC1=O)C(=O)O 269956a_100000743915_100009892977 [1,0,0,1,0,0|2,0,0]=4 478 B11R1.211 O=CCN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_200015260668 [1,0,0,1,0,0|2,0,0]=4 479 B11R1.154 O=C(O)CNCC1CC(=O)C1 269956a_100016091260_100009874392 [1,0,0,1,0,0|2,0,0]=4 480 B11R1.708 NC(=O)CN1CCC1C(=O)O 269956a_100000021838_100000187820 [1,0,0,1,0,0|2,0,0]=4 481 B11R1.708 O=C([O-])CN1CCC1C(=O)O 269956a_100000021838_100020667443 [1,0,0,1,0,0|1,0,1]=4 482 B13R1.294 CC(CNCC1CC(=O)C1)C(=O)O 269956a_100000749485_100009874392 [0,0,0,1,0,1|2,0,0]=4 483 B13R1.294 O=C1CC(C1)CNCC(F)C(=O)O 269956a_100000084737_100009874392 [0,0,0,1,0,1|2,0,0]=4 484 B13R1.350 CC(=O)C(C)N1CCC[C@H]1C(=O)O 269956a_100000743916_100009814033 [0,0,0,1,0,1|2,0,0]=4 485 B13R1.1985 NC(=O)CN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_100000187820 [0,0,0,1,0,1|2,0,0]=4 486 B13R1.1985 O=C([O-])CN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_100020667443 [0,0,0,1,0,1|1,0,1]=4 487 B13R1.1989 CC(=O)CCN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100000053229 [0,0,0,1,0,1|2,0,0]=4 488 B13R1.1989 NC(=O)CCN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100000744528 [0,0,0,1,0,1|2,0,0]=4 489 B13R1.2025 C[C@]1(CCCN1CC(=O)N)C(=O)O 269956a_100009816582_100000187820 [0,0,0,1,0,1|2,0,0]=4 490 B13R1.2025 C[C@]1(CCCN1CC(=O)[O-])C(=O)O 269956a_100009816582_100020667443 [0,0,0,1,0,1|1,0,1]=4 491 B13R1.3425 C[C@H](NCC1CNC(=O)O1)C(=O)O 269956a_100000743915_100000181169 [0,0,0,1,0,1|2,0,0]=4 492 B13R1.3425 C[C@H](NC[C@@H]1CCC(=O)N1)C(=O)O 269956a_100000743915_100015189358 [0,0,0,1,0,1|2,0,0]=4 493 B13R1.3425 NC(=O)[C@@H](N)COC1COC(=O)O1 34a_100000729942_100000032252 [0,0,0,1,0,1|2,0,0]=4 494 B13R1.533 COC(=O)[C@@H]1CC[C@@H](C1)CC(=O)C 1458a_100000070787_200159312670 [0,1,0,1,0,0|2,0,0]=4 495 B13R1.543 COC(=O)C1CCCC(C1)C(=O)C 1458a_100011331962_200000210301 [0,1,0,1,0,0|2,0,0]=4 496 B13R1.543 COC(=O)C1CCCC(C1)C(=O)[13CH3] 1458a_100011331962_200025704644 [0,1,0,1,0,0|2,0,0]=4 497 B13R1.1693 COC(=O)C1CC(C1)NCC(=O)O 269956a_100016091260_100009897219 [0,1,0,1,0,0|2,0,0]=4 498 B13R1.1712 COC(=O)CN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100000747449 [0,1,0,1,0,0|2,0,0]=4 499 B11R0.2 CN(CCCCC=O)CC(=O)O 269956a_100000746989_100000139335 [1,0,0,0,0,1|2,0,0]=4 500 B11R0.30 CC(=O)CCCCCNC(=O)C 1458a_100000183861_200000210301 [1,0,0,0,0,1|2,0,0]=4 501 B11R0.30 CC(=O)CCCCCOC(=O)C 1458a_100000070787_100000033007 [1,0,0,0,0,1|2,0,0]=4 502 B11R0.30 CC(=O)CCCCNCC(=O)O 269956a_100016091260_100000735457 [1,0,0,0,0,1|1,0,0]=3 503 B11R0.30 CC(=O)CCCCOCC(=O)C 34a_100000211253_100009817362 [1,0,0,0,0,1|2,0,0]=4 504 B11R0.30 CC(=O)CCCCSCC(=O)N 62a_100000735457_100000747473 [1,0,0,0,0,1|2,0,0]=4 505 B11R0.30 CC(=O)CCCCSCC(=O)N 62a_100000747473_100000735457 [1,0,0,0,0,1|2,0,0]=4 506 B11R0.30 CC(=O)CCCCSCC(=O)[O-] 62a_100000735457_100020667443 [1,0,0,0,0,1|1,0,1]=4 507 B11R0.30 CC(=O)CCCCSCC(=O)[O-] 62a_100020667443_100000735457 [1,0,0,0,0,1|1,0,1]=4 508 B11R0.30 CC(=O)CCCNOCC(=O)O 269956a_100000106656_100011215641 [1,0,0,0,0,1|2,0,0]=4 509 B11R0.30 CC(=O)CCCOCCC(=O)C 34a_100000759926_100000685027 [1,0,0,0,0,1|2,0,0]=4 510 B11R0.30 CC(=O)CCCOCCC(=O)C 7a_100000759063_100000053229 [1,0,0,0,0,1|2,0,0]=4 511 B11R0.30 CC(=O)CCCOCCC(=O)C 7a_100000759926_100011215641 [1,0,0,0,0,1|2,0,0]=4 512 B11R0.30 CC(=O)CCCOCCC(=O)N 34a_100000757172_100000685027 [1,0,0,0,0,1|2,0,0]=4 513 B11R0.30 CC(=O)CCCOCCC(=O)N 34a_100000759063_100000731001 [1,0,0,0,0,1|2,0,0]=4 514 B11R0.30 CC(=O)CCCOCCC(=O)N 7a_100000757172_100011215641 [1,0,0,0,0,1|2,0,0]=4 515 B11R0.30 CC(=O)CCCOCCC(=O)N 7a_100000759063_100000744528 [1,0,0,0,0,1|2,0,0]=4 516 B11R0.30 CC(=O)CCCSCCC(=O)C 62a_100000053229_100011215641 [1,0,0,0,0,1|2,0,0]=4 517 B11R0.30 CC(=O)CCCSCCC(=O)C 62a_100011215641_100000053229 [1,0,0,0,0,1|2,0,0]=4 518 B11R0.30 CC(=O)CCCSCCC(=O)N 62a_100000744528_100011215641 [1,0,0,0,0,1|2,0,0]=4 519 B11R0.30 CC(=O)CCCSCCC(=O)N 62a_100011215641_100000744528 [1,0,0,0,0,1|2,0,0]=4 520 B11R0.30 CC(=O)CCOCCCC(=O)N 34a_100000759926_100102525003 [1,0,0,0,0,1|2,0,0]=4 521 B11R0.30 CC(=O)CCOCCCC(=O)N 7a_100000759926_100102525003 [1,0,0,0,0,1|2,0,0]=4 522 B11R0.30 CC(=O)CCSCCCC(=O)N 62a_100000053229_100102525003 [1,0,0,0,0,1|2,0,0]=4 523 B11R0.30 CC(=O)CCSCCCC(=O)N 62a_100102525003_100000053229 [1,0,0,0,0,1|2,0,0]=4 524 B11R0.30 CC(=O)NCCCCCC(=O)[13CH3] 1458a_100000183861_200025704644 [1,0,0,0,0,1|2,0,0]=4 525 B11R0.30 CC(=O)OCCCNCC(=O)O 269956a_100016091260_100000042594 [1,0,0,0,0,1|2,0,0]=4 526 B11R0.30 CC(=O)SCCCNCC(=O)O 269956a_100016091260_100000038929 [1,0,0,0,0,1|2,0,0]=4 527 B11R0.30 NC(=O)CCCCNCC(=O)N 34a_100000696515_100000187820 [1,0,0,0,0,1|2,0,0]=4 528 B11R0.30 NC(=O)CCCCNCC(=O)[O-] 34a_100000696515_100020667443 [1,0,0,0,0,1|1,0,1]=4 529 B11R0.30 NC(=O)CCCCOCC(=O)N 34a_100012022536_100000187820 [1,0,0,0,0,1|2,0,0]=4 530 B11R0.30 NC(=O)CCCCOCC(=O)N 7a_100012022536_100000187820 [1,0,0,0,0,1|2,0,0]=4 531 B11R0.30 NC(=O)CCCCOCC(=O)[O-] 34a_100012022536_100020667443 [1,0,0,0,0,1|1,0,1]=4 532 B11R0.30 NC(=O)CCCNCCC(=O)N 34a_100000739312_100000731001 [1,0,0,0,0,1|2,0,0]=4 533 B11R0.30 NC(=O)CCCNOCC(=O)O 269956a_100000106656_100102525003 [1,0,0,0,0,1|2,0,0]=4 534 B11R0.30 NC(=O)CCCOCCC(=O)N 34a_100000757172_100102525003 [1,0,0,0,0,1|2,0,0]=4 535 B11R0.30 NC(=O)CCCOCCC(=O)N 7a_100000757172_100102525003 [1,0,0,0,0,1|2,0,0]=4 536 B11R0.30 NC(=O)CCCSCCC(=O)N 62a_100000744528_100102525003 [1,0,0,0,0,1|2,0,0]=4 537 B11R0.30 NC(=O)CCCSCCC(=O)N 62a_100102525003_100000744528 [1,0,0,0,0,1|2,0,0]=4 538 B11R0.30 NC(=O)CNCCOCC(=O)O 269956a_100000700818_100000187820 [1,0,0,0,0,1|2,0,0]=4 539 B11R0.30 NC(=O)COCCNCC(=O)O 269956a_100016091260_100000076697 [1,0,0,0,0,1|2,0,0]=4 540 B11R0.30 O=C(O)CNCCCCB(O)O 269956a_100016091260_200009817182 [1,0,0,0,0,1|1,0,1]=4 541 B11R0.30 O=C([O-])CNCCOCC(=O)O 269956a_100000700818_100020667443 [1,0,0,0,0,1|1,0,1]=4 542 B13R0.178 CC(=O)CCCNCC(O)CC(=O)O 269956a_100011218706_100011215641 [0,0,0,0,0,2|2,0,0]=4 543 B13R0.178 NC(=O)CCCNCC(O)CC(=O)O 269956a_100011218706_100102525003 [0,0,0,0,0,2|2,0,0]=4 544 B13R0.180 CC(=O)CCCCNCC(C)C(=O)O 269956a_100000749485_100000735457 [0,0,0,0,0,2|2,0,0]=4 545 B13R0.180 CC(=O)CCCCNCC(F)C(=O)O 269956a_100000084737_100000735457 [0,0,0,0,0,2|2,0,0]=4 546 B13R0.180 CC(=O)CCCCOC[C@H](N)C(=O)N 34a_100000729942_100009817362 [0,0,0,0,0,2|2,0,0]=4 547 B13R0.180 CC(=O)OCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000033659 [0,0,0,0,0,2|2,0,0]=4 548 B13R0.180 CC(=O)OCCCNCC(C)C(=O)O 269956a_100000749485_100000042594 [0,0,0,0,0,2|2,0,0]=4 549 B13R0.180 CC(=O)OCCCNCC(F)C(=O)O 269956a_100000084737_100000042594 [0,0,0,0,0,2|2,0,0]=4 550 B13R0.180 CC(=O)OCCCOC[C@H](N)C(=O)N 34a_100000729942_100000042594 [0,0,0,0,0,2|2,0,0]=4 551 B13R0.180 CC(=O)SCCCCN[C@@H](C)C(=O)O 269956a_100000743915_200010402107 [0,0,0,0,0,2|2,0,0]=4 552 B13R0.180 CC(=O)SCCCNCC(C)C(=O)O 269956a_100000749485_100000038929 [0,0,0,0,0,2|2,0,0]=4 553 B13R0.180 CC(=O)SCCCNCC(F)C(=O)O 269956a_100000084737_100000038929 [0,0,0,0,0,2|2,0,0]=4 554 B13R0.180 CC(=O)SCCCOC[C@H](N)C(=O)N 34a_100000729942_100000038929 [0,0,0,0,0,2|2,0,0]=4 555 B13R0.180 CC(CNCCOCC(=O)N)C(=O)O 269956a_100000749485_100000076697 [0,0,0,0,0,2|2,0,0]=4 556 B13R0.180 C[C@H](NCCCCCC(=O)N)C(=O)O 269956a_100000743915_100009817443 [0,0,0,0,0,2|2,0,0]=4 557 B13R0.180 NC(=O)COCCNCC(F)C(=O)O 269956a_100000084737_100000076697 [0,0,0,0,0,2|2,0,0]=4 558 B13R0.180 NC(=O)COCCOC[C@H](N)C(=O)N 34a_100000729942_100000076697 [0,0,0,0,0,2|2,0,0]=4