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(=CCCN[C@@H](C)C(=O)O)C 269956a_100000743915_100011217483 [0,0,0,0,0,0|4,0,0]=4 4 B11R0.29 CC(=CCNCC(C)C(=O)O)C 269956a_100000749485_100000761012 [0,0,0,0,0,0|4,0,0]=4 5 B11R0.29 CC(=CCNCC(F)C(=O)O)C 269956a_100000084737_100000761012 [0,0,0,0,0,0|4,0,0]=4 6 B11R0.29 CC(=CCOC[C@H](N)C(=O)N)C 34a_100000729942_100000761012 [0,0,0,0,0,0|4,0,0]=4 7 B11R0.29 CC(=O)CCCN[C@@H](C)C(=O)O 269956a_100000743915_100011215641 [0,0,0,0,0,0|4,0,0]=4 8 B11R0.29 CC(=O)CCNCC(C)C(=O)O 269956a_100000749485_100000053229 [0,0,0,0,0,0|4,0,0]=4 9 B11R0.29 CC(=O)CCNCC(F)C(=O)O 269956a_100000084737_100000053229 [0,0,0,0,0,0|4,0,0]=4 10 B11R0.29 CC(=O)NCCNC(C)C(=O)C 2230a_100000209853_100009814033 [0,0,0,0,0,0|4,0,0]=4 11 B11R0.29 CC(=O)NCCNC(C)C(=O)N 2230a_100000209853_100000702099 [0,0,0,0,0,0|4,0,0]=4 12 B11R0.29 CC(=O)NCCNC(F)C(=O)N 2230a_100000209853_100009813875 [0,0,0,0,0,0|4,0,0]=4 13 B11R0.29 CC(=O)NCCN[C@@H](C)C(=O)O 269956a_100000743915_100000189650 [0,0,0,0,0,0|3,0,0]=3 14 B11R0.29 CC(=O)NCCN[C@H](C)C(=O)N 2230a_100000119354_100000189650 [0,0,0,0,0,0|4,0,0]=4 15 B11R0.29 CC(=O)NCCOC(C)C(=O)N 34a_100000158858_100000702099 [0,0,0,0,0,0|4,0,0]=4 16 B11R0.29 CC(=O)NCCOC(F)C(=O)N 34a_100000158858_100009813875 [0,0,0,0,0,0|4,0,0]=4 17 B11R0.29 CC(=O)NCCOC(F)C(=O)[O-] 34a_100000158858_100020610796 [0,0,0,0,0,0|3,0,1]=4 18 B11R0.29 CC(=O)NCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000189650 [0,0,0,0,0,0|3,0,1]=4 19 B11R0.29 CC(=O)NCCO[C@H](C)C(=O)N 7a_100000731257_100000189650 [0,0,0,0,0,0|4,0,0]=4 20 B11R0.29 CC(=O)NCCSC(C)C(=O)C 62a_100000189650_100009814033 [0,0,0,0,0,0|4,0,0]=4 21 B11R0.29 CC(=O)NCCSC(C)C(=O)C 62a_100009814033_100000189650 [0,0,0,0,0,0|4,0,0]=4 22 B11R0.29 CC(=O)NCCSC(C)C(=O)N 62a_100000189650_100000702099 [0,0,0,0,0,0|4,0,0]=4 23 B11R0.29 CC(=O)NCCSC(C)C(=O)N 62a_100000702099_100000189650 [0,0,0,0,0,0|4,0,0]=4 24 B11R0.29 CC(=O)NCCSC(F)C(=O)N 62a_100000189650_100009813875 [0,0,0,0,0,0|4,0,0]=4 25 B11R0.29 CC(=O)NCCSC(F)C(=O)N 62a_100009813875_100000189650 [0,0,0,0,0,0|4,0,0]=4 26 B11R0.29 CC(=O)NCCSC(F)C(=O)[O-] 62a_100000189650_100020610796 [0,0,0,0,0,0|3,0,1]=4 27 B11R0.29 CC(=O)NCCSC(F)C(=O)[O-] 62a_100020610796_100000189650 [0,0,0,0,0,0|3,0,1]=4 28 B11R0.29 CC(=O)OCCN[C@@H](C)C(=O)O 269956a_100000743915_100009814007 [0,0,0,0,0,0|4,0,0]=4 29 B11R0.29 CC(=O)OCNCC(C)C(=O)O 269956a_100000749485_100000076356 [0,0,0,0,0,0|4,0,0]=4 30 B11R0.29 CC(=O)OCNCC(F)C(=O)O 269956a_100000084737_100000076356 [0,0,0,0,0,0|4,0,0]=4 31 B11R0.29 CC(=O)OCOC[C@H](N)C(=O)N 34a_100000729942_100009813279 [0,0,0,0,0,0|4,0,0]=4 32 B11R0.29 C[C@H](NCCNC(=O)N)C(=O)O 269956a_100000743915_200000034859 [0,0,0,0,0,0|3,0,1]=4 33 B10R0.75 C/C=C/CNCC(C)C(=O)O 269956a_100000749485_100102629194 [1,0,0,0,0,0|3,0,0]=4 34 B10R0.75 C/C=C/CNCC(F)C(=O)O 269956a_100000084737_100102629194 [1,0,0,0,0,0|3,0,0]=4 35 B10R0.75 C/C=C/COC[C@H](N)C(=O)N 34a_100000729942_100102629194 [1,0,0,0,0,0|3,0,0]=4 36 B10R0.75 CC=CCOC[C@H](N)C(=O)N 34a_100000729942_100000070051 [1,0,0,0,0,0|3,0,0]=4 37 B10R0.97 CC(=CCCNCC(=O)O)C 269956a_100016091260_100011217483 [1,0,0,0,0,0|3,0,0]=4 38 B10R0.97 CC(=O)CCCCCC(=O)N 1458a_100000070787_100009817443 [1,0,0,0,0,0|3,0,0]=4 39 B10R0.97 CC(=O)CCCCNC(C)C 34a_100138425928_100009817362 [1,0,0,0,0,0|2,0,1]=4 40 B10R0.97 CC(=O)CCCCOC(=O)C 1458a_100000070787_100000033659 [1,0,0,0,0,0|3,0,0]=4 41 B10R0.97 CC(=O)CCCCSC(=O)C 1458a_100000070787_200010402107 [1,0,0,0,0,0|3,0,0]=4 42 B10R0.97 CC(=O)CCCNCC(=O)O 269956a_100016091260_100011215641 [1,0,0,0,0,0|3,0,0]=4 43 B10R0.97 CC(=O)NCCCCC(=O)N 11a_100000696515_100015343762 [1,0,0,0,0,0|2,0,0]=3 44 B10R0.97 CC(=O)NCCCCC(=O)N 1626a_100000696515_100015343762 [1,0,0,0,0,0|2,0,0]=3 45 B10R0.97 CC(=O)NCCCCC(=O)N 240690a_100000696515_100015343762 [1,0,0,0,0,0|2,0,0]=3 46 B10R0.97 CC(=O)NCCCCC(=O)N 527a_100000696515_100103153847 [1,0,0,0,0,0|2,0,0]=3 47 B10R0.97 CC(=O)NCCCNC(=O)C 11a_100000736810_100015343762 [1,0,0,0,0,0|3,0,0]=4 48 B10R0.97 CC(=O)NCCCNC(=O)C 240690a_100000736810_100015343762 [1,0,0,0,0,0|3,0,0]=4 49 B10R0.97 CC(=O)NCCCNC(=O)C 527a_100000736810_100103153847 [1,0,0,0,0,0|3,0,0]=4 50 B10R0.97 CC(=O)NCCNCC(=O)N 2230a_100000209853_100000747473 [1,0,0,0,0,0|3,0,0]=4 51 B10R0.97 CC(=O)NCCNCC(=O)N 2230a_100000711301_100000189650 [1,0,0,0,0,0|3,0,0]=4 52 B10R0.97 CC(=O)NCCNCC(=O)O 269956a_100016091260_100000189650 [1,0,0,0,0,0|2,0,0]=3 53 B10R0.97 CC(=O)NCCOCC(=O)N 34a_100000158858_100000187820 [1,0,0,0,0,0|3,0,0]=4 54 B10R0.97 CC(=O)NCCOCC(=O)[O-] 34a_100000158858_100020667443 [1,0,0,0,0,0|2,0,1]=4 55 B10R0.97 CC(=O)NCCSCC(=O)N 62a_100000189650_100000747473 [1,0,0,0,0,0|3,0,0]=4 56 B10R0.97 CC(=O)NCCSCC(=O)N 62a_100000747473_100000189650 [1,0,0,0,0,0|3,0,0]=4 57 B10R0.97 CC(=O)NCCSCC(=O)[O-] 62a_100000189650_100020667443 [1,0,0,0,0,0|2,0,1]=4 58 B10R0.97 CC(=O)NCCSCC(=O)[O-] 62a_100020667443_100000189650 [1,0,0,0,0,0|2,0,1]=4 59 B10R0.97 CC(=O)OCCNCC(=O)O 269956a_100016091260_100009814007 [1,0,0,0,0,0|3,0,0]=4 60 B10R0.97 CC(C)NCCCCC(=O)N 34a_100000696515_100000210206 [1,0,0,0,0,0|2,0,1]=4 61 B10R0.97 CC(C)NCCOCC(=O)O 269956a_100000700818_100000210206 [1,0,0,0,0,0|2,0,1]=4 62 B10R0.97 NC(=O)NCCNCC(=O)O 269956a_100016091260_200000034859 [1,0,0,0,0,0|2,0,1]=4 63 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 64 B12R0.86 COC(=O)C(C)NCCNC(=O)C 2230a_100000209853_100000211248 [0,1,0,0,0,0|3,0,0]=4 65 B12R0.86 COC(=O)C(C)OCCNC(=O)C 34a_100000158858_100000211248 [0,1,0,0,0,0|3,0,0]=4 66 B12R0.86 COC(=O)C(C)SCCNC(=O)C 62a_100000189650_100000211248 [0,1,0,0,0,0|3,0,0]=4 67 B12R0.86 COC(=O)C(C)SCCNC(=O)C 62a_100000211248_100000189650 [0,1,0,0,0,0|3,0,0]=4 68 B12R0.86 COC(=O)[C@H](N)COCC=C(C)C 34a_100000003586_100000761012 [0,1,0,0,0,0|3,0,0]=4 69 B12R0.86 COC(=O)[C@H](N)COCOC(=O)C 34a_100000003586_100009813279 [0,1,0,0,0,0|3,0,0]=4 70 B12R0.238 C=C[C@H](NCCNC(=O)C)C(=O)O 269956a_100016992060_100000189650 [0,1,0,0,0,0|3,0,0]=4 71 B12R0.238 CC(=O)NCCNC(CO)C(=O)O 269956a_100000187304_100000189650 [0,1,0,0,0,0|3,0,0]=4 72 B12R0.238 CC(=O)NCSC[C@H](N[13CH3])C(=O)N 2230a_200025761755_200025704644 [0,1,0,0,0,0|3,0,0]=4 73 B12R0.238 CC[C@@H](NCCNC(=O)C)C(=O)O 269956a_100000747097_100000189650 [0,1,0,0,0,0|3,0,0]=4 74 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 75 B12R0.238 CN[C@@H](CCCCN(C)C)C(=O)O 269956a_200015235947_200000210301 [0,1,0,0,0,0|3,0,0]=4 76 B12R0.238 CN[C@@H](CSCNC(=O)C)C(=O)N 2230a_200025761755_200000210301 [0,1,0,0,0,0|3,0,0]=4 77 B12R0.686 CC(=O)NCCN(C)C(C)C(=O)O 269956a_100000749554_100000189650 [0,1,0,0,0,0|3,0,0]=4 78 B12R1.258 CC(=O)C1CCCN(C1)C(=O)C 1458a_100000194941_200000210301 [0,0,0,1,0,0|3,0,0]=4 79 B12R1.258 CC(=O)N1CCCC(C1)C(=O)N 11a_100000195536_100015343762 [0,0,0,1,0,0|3,0,0]=4 80 B12R1.258 CC(=O)N1CCCC(C1)C(=O)N 240690a_100000195536_100015343762 [0,0,0,1,0,0|3,0,0]=4 81 B12R1.258 CC(=O)N1CCCC(C1)C(=O)[13CH3] 1458a_100000194941_200025704644 [0,0,0,1,0,0|3,0,0]=4 82 B12R1.389 CC(C)N[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_100000210206 [0,0,0,1,0,0|2,0,1]=4 83 B12R1.1388 CC(=O)N1CCC[C@]1(C)C(=O)C 1458a_200009820353_200000210301 [0,0,0,1,0,0|3,0,0]=4 84 B12R1.1388 CC(=O)N1CCC[C@]1(C)C(=O)[13CH3] 1458a_200009820353_200025704644 [0,0,0,1,0,0|3,0,0]=4 85 B12R1.1388 CC(C)N1CCC[C@@]1(C)C(=O)O 269956a_100009816582_100000210206 [0,0,0,1,0,0|2,0,1]=4 86 B10R0.98 C=C(C)CCN[C@@H](C)C(=O)O 269956a_100000743915_100000730704 [0,0,0,0,1,0|3,0,0]=4 87 B10R0.98 C=C(C)CNCC(C)C(=O)O 269956a_100000749485_100000748629 [0,0,0,0,1,0|3,0,0]=4 88 B10R0.98 C=C(C)CNCC(F)C(=O)O 269956a_100000084737_100000748629 [0,0,0,0,1,0|3,0,0]=4 89 B10R0.98 C=C(C)COC[C@H](N)C(=O)N 34a_100000729942_100000748629 [0,0,0,0,1,0|3,0,0]=4 90 B10R0.98 CC(=O)CCN[C@@H](C)C(=O)O 269956a_100000743915_100000053229 [0,0,0,0,1,0|3,0,0]=4 91 B12R0.42 CC(=CCCNCC(C)C(=O)O)C 269956a_100000749485_100011217483 [0,0,0,0,0,1|3,0,0]=4 92 B12R0.42 CC(=CCCNCC(F)C(=O)O)C 269956a_100000084737_100011217483 [0,0,0,0,0,1|3,0,0]=4 93 B12R0.42 CC(=CCCOC[C@H](N)C(=O)N)C 34a_100000729942_100011217483 [0,0,0,0,0,1|3,0,0]=4 94 B12R0.42 CC(=O)CCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000735457 [0,0,0,0,0,1|3,0,0]=4 95 B12R0.42 CC(=O)CCCNCC(C)C(=O)O 269956a_100000749485_100011215641 [0,0,0,0,0,1|3,0,0]=4 96 B12R0.42 CC(=O)CCCNCC(F)C(=O)O 269956a_100000084737_100011215641 [0,0,0,0,0,1|3,0,0]=4 97 B12R0.42 CC(=O)CCCOC[C@H](N)C(=O)N 34a_100000729942_100000685027 [0,0,0,0,0,1|3,0,0]=4 98 B12R0.42 CC(=O)NCCCNC(C)C(=O)N 34a_100000736810_100000702099 [0,0,0,0,0,1|3,0,0]=4 99 B12R0.42 CC(=O)NCCCNC(F)C(=O)N 34a_100000736810_100009813875 [0,0,0,0,0,1|3,0,0]=4 100 B12R0.42 CC(=O)NCCCNC(F)C(=O)[O-] 34a_100000736810_100020610796 [0,0,0,0,0,1|2,0,1]=4 101 B12R0.42 CC(=O)NCCCOC(C)C(=O)N 34a_100000752032_100000702099 [0,0,0,0,0,1|3,0,0]=4 102 B12R0.42 CC(=O)NCCCOC(F)C(=O)N 34a_100000752032_100009813875 [0,0,0,0,0,1|3,0,0]=4 103 B12R0.42 CC(=O)NCCCOC(F)C(=O)[O-] 34a_100000752032_100020610796 [0,0,0,0,0,1|2,0,1]=4 104 B12R0.42 CC(=O)NCCNCC(C)C(=O)O 269956a_100000749485_100000189650 [0,0,0,0,0,1|2,0,0]=3 105 B12R0.42 CC(=O)NCCNCC(F)C(=O)O 269956a_100000084737_100000189650 [0,0,0,0,0,1|2,0,0]=3 106 B12R0.42 CC(=O)NCCOCC(C)C(=O)C 7a_100000032740_100000189650 [0,0,0,0,0,1|3,0,0]=4 107 B12R0.42 CC(=O)OCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000042594 [0,0,0,0,0,1|3,0,0]=4 108 B12R0.42 CC(=O)OCCNCC(C)C(=O)O 269956a_100000749485_100009814007 [0,0,0,0,0,1|3,0,0]=4 109 B12R0.42 CC(=O)OCCNCC(F)C(=O)O 269956a_100000084737_100009814007 [0,0,0,0,0,1|3,0,0]=4 110 B12R0.42 CC(=O)OCCOC[C@H](N)C(=O)N 34a_100000729942_100009814007 [0,0,0,0,0,1|3,0,0]=4 111 B12R0.42 CC(=O)SCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000038929 [0,0,0,0,0,1|3,0,0]=4 112 B12R0.42 CC(=S)OCCCN[C@@H](C)C(=O)O 269956a_100000743915_200135323944 [0,0,0,0,0,1|3,0,0]=4 113 B12R0.42 CC(CNCCNC(=O)N)C(=O)O 269956a_100000749485_200000034859 [0,0,0,0,0,1|2,0,1]=4 114 B12R0.42 NC(=O)NCCNCC(F)C(=O)O 269956a_100000084737_200000034859 [0,0,0,0,0,1|2,0,1]=4 115 B9R0.2 C=CCCCCNC(=O)C 11a_100000703577_100015343762 [2,0,0,0,0,0|2,0,0]=4 116 B9R0.2 C=CCCCCNC(=O)C 1626a_100000703577_100015343762 [2,0,0,0,0,0|2,0,0]=4 117 B9R0.2 C=CCCCCNC(=O)C 240690a_100000703577_100015343762 [2,0,0,0,0,0|2,0,0]=4 118 B9R0.2 C=CCCCCNC(=O)C 527a_100000703577_100103153847 [2,0,0,0,0,0|2,0,0]=4 119 B9R0.2 CC(=O)NCCCCCO 240690a_100000762737_100015343762 [2,0,0,0,0,0|1,0,1]=4 120 B9R0.2 CC(=O)NCCNCC=O 2230a_100000209853_200015260668 [2,0,0,0,0,0|2,0,0]=4 121 B9R0.2 CC(=O)NCCOCC=O 34a_100000158858_200009817547 [2,0,0,0,0,0|2,0,0]=4 122 B9R0.2 CC(=O)NCCSCC=O 62a_100000189650_200015260668 [2,0,0,0,0,0|2,0,0]=4 123 B9R0.2 CC(=O)NCCSCC=O 62a_200015260668_100000189650 [2,0,0,0,0,0|2,0,0]=4 124 B9R0.2 CC(C)NCCCCC=O 2230a_100138425928_100000139335 [2,0,0,0,0,0|1,0,1]=4 125 B9R0.2 CCNCCCCC(=O)N 34a_100000696515_100000210202 [2,0,0,0,0,0|1,0,1]=4 126 B9R0.2 CCNCCOCC(=O)O 269956a_100000700818_100000210202 [2,0,0,0,0,0|1,0,1]=4 127 B9R0.55 CC(=O)NCCCC(=O)N 240690a_100000739312_100015343762 [2,0,0,0,0,0|1,0,1]=4 128 B9R0.55 CC(=O)NCCCC(=O)N 527a_100000739312_100103153847 [2,0,0,0,0,0|1,0,1]=4 129 B11R0.142 C/C=C/COC[C@@H](N)C(=O)OC 34a_100000003586_100102629194 [1,1,0,0,0,0|2,0,0]=4 130 B11R0.142 CC=CCOC[C@@H](N)C(=O)OC 34a_100000003586_100000070051 [1,1,0,0,0,0|2,0,0]=4 131 B11R0.6 CC(=O)NCCN(C)CC(=O)O 269956a_100000746989_100000189650 [1,1,0,0,0,0|2,0,0]=4 132 B11R0.111 CC(=O)NCCCNC(=O)CO 240690a_100000736810_100000210174 [1,1,0,0,0,0|2,0,0]=4 133 B11R0.111 CC(=O)NCCCNC(=O)CO 527a_100000736810_100000210174 [1,1,0,0,0,0|2,0,0]=4 134 B11R0.111 CC(=O)OCCCCC(=O)CO 1458a_100000210174_100000033659 [1,1,0,0,0,0|2,0,0]=4 135 B11R0.111 CC(=O)SCCCCC(=O)CO 1458a_100000210174_200010402107 [1,1,0,0,0,0|2,0,0]=4 136 B11R0.111 CCC(=O)NCCCCC(=O)N 11a_100000696515_100000210414 [1,1,0,0,0,0|2,0,0]=4 137 B11R0.111 CCC(=O)NCCCCC(=O)N 1626a_100000696515_100000210414 [1,1,0,0,0,0|2,0,0]=4 138 B11R0.111 CCC(=O)NCCCCC(=O)N 240690a_100000696515_100000210414 [1,1,0,0,0,0|2,0,0]=4 139 B11R0.111 CCC(=O)NCCCCC(=O)N 527a_100000696515_100000210414 [1,1,0,0,0,0|2,0,0]=4 140 B11R0.111 CNC(=O)NCCCCC(=O)N 273464a_100000696515_100102657272 [1,1,0,0,0,0|2,0,0]=4 141 B11R0.111 CNC(=O)NCCCCC(=O)N 273464a_100102657272_100000696515 [1,1,0,0,0,0|2,0,0]=4 142 B11R0.111 CNC(=O)NCCCCC(=O)N 512a_100000696515_100102657272 [1,1,0,0,0,0|2,0,0]=4 143 B11R0.111 CNC(=O)NCCCCC(=O)N 512a_106832991638_100000696515 [1,1,0,0,0,0|2,0,0]=4 144 B11R0.111 COC(=O)CCCCCC(=O)C 1458a_100000070787_100009816466 [1,1,0,0,0,0|2,0,0]=4 145 B11R0.111 COC(=O)CCCCCC(=O)C 1458a_100009848860_200000210301 [1,1,0,0,0,0|2,0,0]=4 146 B11R0.111 COC(=O)CCCCCC(=O)[13CH3] 1458a_100009848860_200025704644 [1,1,0,0,0,0|2,0,0]=4 147 B11R0.111 COC(=O)CCCCNC(=O)C 188690a_100000746077_100015343762 [1,1,0,0,0,0|1,0,0]=3 148 B11R0.111 COC(=O)CCCCNC(C)C 2230a_100138425928_100000204269 [1,1,0,0,0,0|1,0,1]=4 149 B11R0.111 COC(=O)CCCCNC(C)C 34a_100138425928_100000204269 [1,1,0,0,0,0|1,0,1]=4 150 B11R0.111 COC(=O)CNCCNC(=O)C 2230a_100000209853_100000747449 [1,1,0,0,0,0|2,0,0]=4 151 B11R0.111 COC(=O)COCCNC(=O)C 34a_100000158858_100000747449 [1,1,0,0,0,0|2,0,0]=4 152 B11R0.111 COC(=O)CSCCNC(=O)C 62a_100000189650_100000747449 [1,1,0,0,0,0|2,0,0]=4 153 B11R0.111 COC(=O)CSCCNC(=O)C 62a_100000747449_100000189650 [1,1,0,0,0,0|2,0,0]=4 154 B11R0.111 NC(=O)CCCCNC(=O)CO 240690a_100000696515_100000210174 [1,1,0,0,0,0|2,0,0]=4 155 B11R0.111 NC(=O)CCCCNC(=O)CO 527a_100000696515_100000210174 [1,1,0,0,0,0|2,0,0]=4 156 B13R0.101 COC(=O)C(C)COCCNC(=O)C 34a_100000158858_100000698445 [0,1,0,0,0,1|2,0,0]=4 157 B13R0.101 COC(=O)C(C)COCCNC(=O)C 7a_100000749362_100000189650 [0,1,0,0,0,1|2,0,0]=4 158 B13R0.101 COC(=O)C(C)CSCCNC(=O)C 62a_100000189650_100000698445 [0,1,0,0,0,1|2,0,0]=4 159 B13R0.101 COC(=O)C(C)CSCCNC(=O)C 62a_100000698445_100000189650 [0,1,0,0,0,1|2,0,0]=4 160 B13R0.101 COC(=O)C(C)NCCCNC(=O)C 34a_100000736810_100000211248 [0,1,0,0,0,1|2,0,0]=4 161 B13R0.101 COC(=O)C(C)OCCCNC(=O)C 34a_100000752032_100000211248 [0,1,0,0,0,1|2,0,0]=4 162 B13R0.101 COC(=O)[C@H](N)COCCC=C(C)C 34a_100000003586_100011217483 [0,1,0,0,0,1|2,0,0]=4 163 B13R0.101 COC(=O)[C@H](N)COCCCC(=O)C 34a_100000003586_100000685027 [0,1,0,0,0,1|2,0,0]=4 164 B13R0.101 COC(=O)[C@H](N)COCCOC(=O)C 34a_100000003586_100009814007 [0,1,0,0,0,1|2,0,0]=4 165 B13R0.1406 CC(=O)NCCNCC(C)(C)C(=O)O 269956a_100000693527_100000189650 [0,1,0,0,0,1|2,0,0]=4 166 B13R0.1406 CC(=O)NCCNCC(F)(F)C(=O)O 269956a_100000734215_100000189650 [0,1,0,0,0,1|2,0,0]=4 167 B11R1.124 CCN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_100000210202 [1,0,0,1,0,0|1,0,1]=4 168 B11R1.421 CCN1CCC[C@@]1(C)C(=O)O 269956a_100009816582_100000210202 [1,0,0,1,0,0|1,0,1]=4 169 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)N 11a_100000003125_100015343762 [1,0,0,1,0,0|2,0,0]=4 170 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)N 240690a_100000003125_100015343762 [1,0,0,1,0,0|2,0,0]=4 171 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)N 527a_100000003125_100103153847 [1,0,0,1,0,0|2,0,0]=4 172 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)[13CH3] 1458a_100011416801_200025704644 [1,0,0,1,0,0|2,0,0]=4 173 B11R1.178 CC(=O)[C@@H]1CCCN1C(=O)C 1458a_100011416801_200000210301 [1,0,0,1,0,0|2,0,0]=4 174 B11R1.178 CC(C)N1CCC[C@H]1C(=O)O 269956a_100000743916_100000210206 [1,0,0,1,0,0|1,0,1]=4 175 B13R1.1985 C=C(C)CN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_100000748629 [0,0,0,1,0,1|2,0,0]=4 176 B13R1.2025 C=C(C)CN1CCC[C@@]1(C)C(=O)O 269956a_100009816582_100000748629 [0,0,0,1,0,1|2,0,0]=4 177 B13R1.533 COC(=O)[C@@H]1CC[C@@H](C1)NC(=O)C 188690a_100016994426_100015343762 [0,1,0,1,0,0|2,0,0]=4 178 B13R1.543 COC(=O)[C@H]1CCCN(C1)C(=O)C 240690a_100016988859_100015343762 [0,1,0,1,0,0|2,0,0]=4 179 B13R1.1824 COC(=O)[C@@]1(CCCN1C(=O)C)C 11a_100000719487_100015343762 [0,1,0,1,0,0|2,0,0]=4 180 B13R1.1824 COC(=O)[C@@]1(CCCN1C(=O)C)C 240690a_100000719487_100015343762 [0,1,0,1,0,0|2,0,0]=4 181 B11R0.30 C=C(C)CNCCCCC(=O)N 34a_100000696515_100000748629 [1,0,0,0,0,1|2,0,0]=4 182 B11R0.30 C=C(C)CNCCOCC(=O)O 269956a_100000700818_100000748629 [1,0,0,0,0,1|2,0,0]=4 183 B11R0.30 CC(=O)CCCCCNC(=O)C 1458a_100000183861_200000210301 [1,0,0,0,0,1|2,0,0]=4 184 B11R0.30 CC(=O)CCCCNCC(=O)O 269956a_100016091260_100000735457 [1,0,0,0,0,1|2,0,0]=4 185 B11R0.30 CC(=O)CCOCCNC(=O)C 7a_100000759926_100000189650 [1,0,0,0,0,1|2,0,0]=4 186 B11R0.30 CC(=O)CCSCCNC(=O)C 62a_100000053229_100000189650 [1,0,0,0,0,1|2,0,0]=4 187 B11R0.30 CC(=O)CCSCCNC(=O)C 62a_100000189650_100000053229 [1,0,0,0,0,1|2,0,0]=4 188 B11R0.30 CC(=O)NCCCCCC(=O)[13CH3] 1458a_100000183861_200025704644 [1,0,0,0,0,1|2,0,0]=4 189 B11R0.30 CC(=O)NCCCCNC(=O)C 11a_200011368371_100015343762 [1,0,0,0,0,1|2,0,0]=4 190 B11R0.30 CC(=O)NCCCCNC(=O)C 1626a_200011368371_100015343762 [1,0,0,0,0,1|2,0,0]=4 191 B11R0.30 CC(=O)NCCCCNC(=O)C 240690a_200011368371_100015343762 [1,0,0,0,0,1|2,0,0]=4 192 B11R0.30 CC(=O)NCCCCNC(=O)C 527a_200011368371_100103153847 [1,0,0,0,0,1|2,0,0]=4 193 B11R0.30 CC(=O)NCCCNCC(=O)N 34a_100000736810_100000187820 [1,0,0,0,0,1|2,0,0]=4 194 B11R0.30 CC(=O)NCCCNCC(=O)[O-] 34a_100000736810_100020667443 [1,0,0,0,0,1|1,0,1]=4 195 B11R0.30 CC(=O)NCCCOCC(=O)N 34a_100000752032_100000187820 [1,0,0,0,0,1|2,0,0]=4 196 B11R0.30 CC(=O)NCCCOCC(=O)[O-] 34a_100000752032_100020667443 [1,0,0,0,0,1|1,0,1]=4 197 B11R0.30 CC(=O)NCCNCCC(=O)N 2230a_100000209853_100000744528 [1,0,0,0,0,1|2,0,0]=4 198 B11R0.30 CC(=O)NCCNOCC(=O)O 269956a_100000106656_100000189650 [1,0,0,0,0,1|2,0,0]=4 199 B11R0.30 CC(=O)NCCOCCC(=O)N 34a_100000158858_100000731001 [1,0,0,0,0,1|2,0,0]=4 200 B11R0.30 CC(=O)NCCOCCC(=O)N 7a_100000757172_100000189650 [1,0,0,0,0,1|2,0,0]=4 201 B11R0.30 CC(=O)NCCSCCC(=O)N 62a_100000189650_100000744528 [1,0,0,0,0,1|2,0,0]=4 202 B11R0.30 CC(=O)NCCSCCC(=O)N 62a_100000744528_100000189650 [1,0,0,0,0,1|2,0,0]=4 203 B11R0.30 CC(=O)OCCCNCC(=O)O 269956a_100016091260_100000042594 [1,0,0,0,0,1|2,0,0]=4 204 B11R0.30 CC(=O)SCCCNCC(=O)O 269956a_100016091260_100000038929 [1,0,0,0,0,1|2,0,0]=4 205 B11R0.30 CC(=S)OCCCNCC(=O)O 269956a_100016091260_200135323944 [1,0,0,0,0,1|2,0,0]=4 206 B13R0.178 CC(=O)NCCNCC(O)CC(=O)O 269956a_100011218706_100000189650 [0,0,0,0,0,2|2,0,0]=4