0 B11R0.165 CC(C)(O)CC(=O)CCCCF 1458a_100000693243_100000729493 [0,0,0,0,0,0|4,0,0]=4 1 B11R0.165 CC(C)(O)CC(=O)CCCCO 1458a_100000693243_100000210776 [0,0,0,0,0,0|4,0,0]=4 2 B11R0.165 CCCCCC(=O)CC(C)(C)C 1458a_100000211214_100000210326 [0,0,0,0,0,0|4,0,0]=4 3 B11R0.165 CCCCCC(=O)CC(C)(C)O 1458a_100000693243_100000210326 [0,0,0,0,0,0|3,0,0]=3 4 B11R0.165 CCCCCC(=O)CC(F)(F)F 1458a_100000245130_100000210326 [0,0,0,0,0,0|4,0,0]=4 5 B11R0.165 CCCCCC(=O)CS(=O)(=O)C 1458a_100000744497_100000210326 [0,0,0,0,0,0|2,0,1]=3 6 B11R0.165 CCCCCC(=O)CS(=O)(=O)N 1458a_100000212188_100000741382 [0,0,0,0,0,0|2,0,1]=3 7 B11R0.165 CCCCCC(=O)CS(=O)(=O)[O-] 1458a_100000212188_100009817235 [0,0,0,0,0,0|1,0,2]=3 8 B11R0.165 CCCCCC(=O)C[N+](C)(C)C 1458a_100000033712_100000210326 [0,0,0,0,0,0|3,1,0]=4 9 B11R0.165 CCCCCC(=O)C[Si](C)(C)C 1458a_100000212188_100000233785 [0,0,0,0,0,0|4,0,0]=4 10 B11R0.165 CCCCCC(=O)C[Si](C)(C)C 1458a_100011218504_100000210326 [0,0,0,0,0,0|4,0,0]=4 11 B11R0.165 CCCCCC(=O)NS(=O)(=O)C 2740a_100000171171_100000212188 [0,0,0,0,0,0|3,0,1]=4 12 B11R0.165 CCCCNC(=O)CC(C)(C)O 527a_100000102301_100000693243 [0,0,0,0,0,0|4,0,0]=4 13 B11R0.165 CCCCNC(=O)CS(=O)(=O)C 11a_100000102301_100000744497 [0,0,0,0,0,0|3,0,1]=4 14 B11R0.165 CCCCNC(=O)CS(=O)(=O)C 240690a_100000102301_100000744497 [0,0,0,0,0,0|3,0,1]=4 15 B11R0.165 CCCCNC(=O)CS(=O)(=O)C 527a_100000102301_100000744497 [0,0,0,0,0,0|3,0,1]=4 16 B11R0.165 CCCOCC(=O)CS(=O)(=O)N 1458a_100000745993_100000741382 [0,0,0,0,0,0|3,0,1]=4 17 B11R0.165 CCCOCC(=O)CS(=O)(=O)[O-] 1458a_100000745993_100009817235 [0,0,0,0,0,0|2,0,2]=4 18 B11R0.165 CCCSCC(=O)CS(=O)(=O)N 1458a_100000217233_100000741382 [0,0,0,0,0,0|3,0,1]=4 19 B11R0.165 CCCSCC(=O)CS(=O)(=O)[O-] 1458a_100000217233_100009817235 [0,0,0,0,0,0|2,0,2]=4 20 B11R0.165 CCOCCC(=O)CC(C)(C)O 1458a_100000693243_100011215890 [0,0,0,0,0,0|4,0,0]=4 21 B11R0.165 CCOCCC(=O)CS(=O)(=O)C 1458a_100000744497_100011215890 [0,0,0,0,0,0|3,0,1]=4 22 B11R0.165 CCOCCC(=O)CS(=O)(=O)N 1458a_100000749530_100000741382 [0,0,0,0,0,0|3,0,1]=4 23 B11R0.165 CCOCCC(=O)CS(=O)(=O)[O-] 1458a_100000749530_100009817235 [0,0,0,0,0,0|2,0,2]=4 24 B11R0.165 CCSCCC(=O)CC(C)(C)O 1458a_100000693243_100000757381 [0,0,0,0,0,0|4,0,0]=4 25 B11R0.165 CCSCCC(=O)CS(=O)(=O)C 1458a_100000744497_100000757381 [0,0,0,0,0,0|3,0,1]=4 26 B11R0.165 CCSCCC(=O)CS(=O)(=O)N 1458a_100000230768_100000741382 [0,0,0,0,0,0|3,0,1]=4 27 B11R0.165 CCSCCC(=O)CS(=O)(=O)[O-] 1458a_100000230768_100009817235 [0,0,0,0,0,0|2,0,2]=4 28 B11R0.165 COCCCC(=O)CC(C)(C)O 1458a_100000693243_100000740836 [0,0,0,0,0,0|4,0,0]=4 29 B11R0.165 COCCCC(=O)CS(=O)(=O)C 1458a_100000744497_100000740836 [0,0,0,0,0,0|3,0,1]=4 30 B11R0.165 COCCCC(=O)CS(=O)(=O)N 1458a_100000741012_100000741382 [0,0,0,0,0,0|3,0,1]=4 31 B11R0.165 COCCCC(=O)CS(=O)(=O)[O-] 1458a_100000741012_100009817235 [0,0,0,0,0,0|2,0,2]=4 32 B11R0.165 CS(=O)(=O)CC(=O)CCCCF 1458a_100000744497_100000729493 [0,0,0,0,0,0|3,0,1]=4 33 B11R0.165 CS(=O)(=O)CC(=O)CCCCO 1458a_100000744497_100000210776 [0,0,0,0,0,0|3,0,1]=4 34 B11R0.165 CSCCCC(=O)CS(=O)(=O)N 1458a_100000173376_100000741382 [0,0,0,0,0,0|3,0,1]=4 35 B11R0.165 CSCCCC(=O)CS(=O)(=O)[O-] 1458a_100000173376_100009817235 [0,0,0,0,0,0|2,0,2]=4 36 B11R0.165 NS(=O)(=O)CC(=O)CCCCO 1458a_100000695505_100000741382 [0,0,0,0,0,0|3,0,1]=4 37 B11R0.165 O=C(CCCCO)CS(=O)(=O)[O-] 1458a_100000695505_100009817235 [0,0,0,0,0,0|2,0,2]=4 38 B10R0.6 C=C(C)CC(=O)CCCCC 1458a_100000212188_100000748629 [1,0,0,0,0,0|3,0,0]=4 39 B10R0.6 C=C(F)CC(=O)CCCCC 1458a_100000212188_100009893438 [1,0,0,0,0,0|3,0,0]=4 40 B10R0.6 CC(O)CC(=O)CCCCO 1458a_100000695505_100011218427 [1,0,0,0,0,0|3,0,0]=4 41 B10R0.6 CCCCCC(=O)CC(=O)C 1458a_100000070787_200012276598 [1,0,0,0,0,0|2,0,0]=3 42 B10R0.6 CCCCCC(=O)CC(=O)N 1458a_100000212188_100000187820 [1,0,0,0,0,0|2,0,0]=3 43 B10R0.6 CCCCCC(=O)CC(=O)N 1458a_100134613110_100000210326 [1,0,0,0,0,0|2,0,0]=3 44 B10R0.6 CCCCCC(=O)CC(=O)[O-] 1458a_100000212188_100020667443 [1,0,0,0,0,0|1,0,1]=3 45 B10R0.6 CCCCCC(=O)CC(C)C 1458a_100000210554_100000210326 [1,0,0,0,0,0|3,0,0]=4 46 B10R0.6 CCCCCC(=O)CC(C)C 1458a_100000212188_100000210624 [1,0,0,0,0,0|3,0,0]=4 47 B10R0.6 CCCCCC(=O)CC(C)O 1458a_100000212188_100011218427 [1,0,0,0,0,0|2,0,0]=3 48 B10R0.6 CCCCCC(=O)CC(F)F 1458a_100000212188_100011934356 [1,0,0,0,0,0|3,0,0]=4 49 B10R0.6 CCCCCC(=O)CN(C)C 1458a_100000750896_100000210326 [1,0,0,0,0,0|2,1,0]=4 50 B10R0.6 CCCCCC(=O)CN(C)C 2230a_100102631434_200012276598 [1,0,0,0,0,0|2,1,0]=4 51 B10R0.6 CCCCCC(=O)CN(C)C 269982a_100102631434_200012276598 [1,0,0,0,0,0|2,1,0]=4 52 B10R0.6 CCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210326 [1,0,0,0,0,0|2,0,0]=3 53 B10R0.6 CCCCCC(=O)C[N+](=O)[O-] 1458a_100000212188_100000761209 [1,0,0,0,0,0|0,1,1]=3 54 B10R0.6 CCCCCC(=O)C[S+](C)C 1458a_200159257847_100000210326 [1,0,0,0,0,0|3,0,0]=4 55 B10R0.6 CCCCCN(C)CC(=O)O 269956a_100000746989_100000210326 [1,0,0,0,0,0|3,0,0]=4 56 B10R0.6 CCCCNC(=O)CC(=O)C 1458a_100000070787_100000182744 [1,0,0,0,0,0|3,0,0]=4 57 B10R0.6 CCCCNC(=O)CC(=O)N 240690a_100000102301_100134613110 [1,0,0,0,0,0|3,0,0]=4 58 B10R0.6 CCCCNC(=O)CC(=O)N 527a_100000102301_100134613110 [1,0,0,0,0,0|3,0,0]=4 59 B10R0.6 CCCCNC(=O)C[C@@H](C)O 240690a_100000102301_100011933948 [1,0,0,0,0,0|3,0,0]=4 60 B10R0.6 CCCCOC(=O)CC(=O)C 1458a_100000070787_100000211628 [1,0,0,0,0,0|3,0,0]=4 61 B10R0.6 CCCOCC(=O)CC(=O)N 1458a_100000745993_100000187820 [1,0,0,0,0,0|3,0,0]=4 62 B10R0.6 CCCOCC(=O)CC(=O)[O-] 1458a_100000745993_100020667443 [1,0,0,0,0,0|2,0,1]=4 63 B10R0.6 CCCOCC(=O)CC(C)O 1458a_100000745993_100011218427 [1,0,0,0,0,0|3,0,0]=4 64 B10R0.6 CCCOCC(=O)C[N+](=O)[O-] 1458a_100000745993_100000761209 [1,0,0,0,0,0|1,1,1]=4 65 B10R0.6 CCCSCC(=O)CC(=O)N 1458a_100000217233_100000187820 [1,0,0,0,0,0|3,0,0]=4 66 B10R0.6 CCCSCC(=O)CC(=O)[O-] 1458a_100000217233_100020667443 [1,0,0,0,0,0|2,0,1]=4 67 B10R0.6 CCCSCC(=O)CC(C)O 1458a_100000217233_100011218427 [1,0,0,0,0,0|3,0,0]=4 68 B10R0.6 CCCSCC(=O)C[N+](=O)[O-] 1458a_100000217233_100000761209 [1,0,0,0,0,0|1,1,1]=4 69 B10R0.6 CCOCCC(=O)CC(=O)N 1458a_100000749530_100000187820 [1,0,0,0,0,0|3,0,0]=4 70 B10R0.6 CCOCCC(=O)CC(=O)N 1458a_100134613110_100011215890 [1,0,0,0,0,0|3,0,0]=4 71 B10R0.6 CCOCCC(=O)CC(=O)[O-] 1458a_100000749530_100020667443 [1,0,0,0,0,0|2,0,1]=4 72 B10R0.6 CCOCCC(=O)CC(C)O 1458a_100000749530_100011218427 [1,0,0,0,0,0|3,0,0]=4 73 B10R0.6 CCOCCC(=O)C[C@@H](C)O 1458a_100011933948_100011215890 [1,0,0,0,0,0|3,0,0]=4 74 B10R0.6 CCOCCC(=O)C[N+](=O)[O-] 1458a_100000749530_100000761209 [1,0,0,0,0,0|1,1,1]=4 75 B10R0.6 CCSCCC(=O)CC(=O)N 1458a_100000230768_100000187820 [1,0,0,0,0,0|3,0,0]=4 76 B10R0.6 CCSCCC(=O)CC(=O)N 1458a_100134613110_100000757381 [1,0,0,0,0,0|3,0,0]=4 77 B10R0.6 CCSCCC(=O)CC(=O)[O-] 1458a_100000230768_100020667443 [1,0,0,0,0,0|2,0,1]=4 78 B10R0.6 CCSCCC(=O)CC(C)O 1458a_100000230768_100011218427 [1,0,0,0,0,0|3,0,0]=4 79 B10R0.6 CCSCCC(=O)C[C@@H](C)O 1458a_100011933948_100000757381 [1,0,0,0,0,0|3,0,0]=4 80 B10R0.6 CCSCCC(=O)C[N+](=O)[O-] 1458a_100000230768_100000761209 [1,0,0,0,0,0|1,1,1]=4 81 B10R0.6 COCCCC(=O)CC(=O)N 1458a_100000741012_100000187820 [1,0,0,0,0,0|3,0,0]=4 82 B10R0.6 COCCCC(=O)CC(=O)N 1458a_100134613110_100000740836 [1,0,0,0,0,0|3,0,0]=4 83 B10R0.6 COCCCC(=O)CC(=O)[O-] 1458a_100000741012_100020667443 [1,0,0,0,0,0|2,0,1]=4 84 B10R0.6 COCCCC(=O)CC(C)O 1458a_100000741012_100011218427 [1,0,0,0,0,0|3,0,0]=4 85 B10R0.6 COCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000740836 [1,0,0,0,0,0|3,0,0]=4 86 B10R0.6 COCCCC(=O)C[N+](=O)[O-] 1458a_100000741012_100000761209 [1,0,0,0,0,0|1,1,1]=4 87 B10R0.6 CSCCCC(=O)CC(=O)N 1458a_100000173376_100000187820 [1,0,0,0,0,0|3,0,0]=4 88 B10R0.6 CSCCCC(=O)CC(=O)[O-] 1458a_100000173376_100020667443 [1,0,0,0,0,0|2,0,1]=4 89 B10R0.6 CSCCCC(=O)CC(C)O 1458a_100000173376_100011218427 [1,0,0,0,0,0|3,0,0]=4 90 B10R0.6 CSCCCC(=O)C[N+](=O)[O-] 1458a_100000173376_100000761209 [1,0,0,0,0,0|1,1,1]=4 91 B10R0.6 C[C@@H](O)CC(=O)CCCCF 1458a_100011933948_100000729493 [1,0,0,0,0,0|3,0,0]=4 92 B10R0.6 C[C@@H](O)CC(=O)CCCCO 1458a_100011933948_100000210776 [1,0,0,0,0,0|3,0,0]=4 93 B10R0.6 NC(=O)CC(=O)CCCCF 1458a_100134613110_100000729493 [1,0,0,0,0,0|3,0,0]=4 94 B10R0.6 NC(=O)CC(=O)CCCCO 1458a_100000695505_100000187820 [1,0,0,0,0,0|3,0,0]=4 95 B10R0.6 NC(=O)CC(=O)CCCCO 1458a_100134613110_100000210776 [1,0,0,0,0,0|3,0,0]=4 96 B10R0.6 O=C(CCCCO)C[N+](=O)[O-] 1458a_100000695505_100000761209 [1,0,0,0,0,0|1,1,1]=4 97 B10R0.6 O=C([O-])CC(=O)CCCCO 1458a_100000695505_100020667443 [1,0,0,0,0,0|2,0,1]=4 98 B10R0.28 CCCCC(=O)CC(C)(C)O 1458a_100000693243_100000210211 [1,0,0,0,0,0|3,0,0]=4 99 B10R0.28 CCCCC(=O)CS(=O)(=O)C 1458a_100000744497_100000210211 [1,0,0,0,0,0|2,0,1]=4 100 B10R0.28 CCCCC(=O)CS(=O)(=O)N 1458a_100000210183_100000741382 [1,0,0,0,0,0|2,0,1]=4 101 B10R0.28 CCCCC(=O)CS(=O)(=O)[O-] 1458a_100000210183_100009817235 [1,0,0,0,0,0|1,0,2]=4 102 B12R0.78 CCCC(C)CC(=O)CC(C)(C)O 1458a_100000693243_100011216630 [0,1,0,0,0,0|3,0,0]=4 103 B12R0.78 CCCC(C)CC(=O)CS(=O)(=O)C 1458a_100000744497_100011216630 [0,1,0,0,0,0|2,0,1]=4 104 B12R0.78 CCCC(C)CC(=O)CS(=O)(=O)N 1458a_100000748435_100000741382 [0,1,0,0,0,0|2,0,1]=4 105 B12R0.78 CCCC(C)CC(=O)CS(=O)(=O)[O-] 1458a_100000748435_100009817235 [0,1,0,0,0,0|1,0,2]=4 106 B12R0.125 CC(C)(O)CC(=O)CCCCCF 1458a_100000693243_100000729378 [0,1,0,0,0,0|3,0,0]=4 107 B12R0.125 CC(C)(O)CC(=O)CCCCCO 1458a_100000693243_100000746330 [0,1,0,0,0,0|3,0,0]=4 108 B12R0.125 CCCCCCC(=O)CC(C)(C)O 1458a_100000693243_100000210757 [0,1,0,0,0,0|3,0,0]=4 109 B12R0.125 CCCCCCC(=O)CS(=O)(=O)C 1458a_100000744497_100000210757 [0,1,0,0,0,0|2,0,1]=4 110 B12R0.125 CCCCCCC(=O)CS(=O)(=O)N 1458a_100102632555_100000741382 [0,1,0,0,0,0|2,0,1]=4 111 B12R0.125 CCCCCCC(=O)CS(=O)(=O)[O-] 1458a_100102632555_100009817235 [0,1,0,0,0,0|1,0,2]=4 112 B12R0.125 CCCCCNC(=O)CC(C)(C)O 527a_100000209983_100000693243 [0,1,0,0,0,0|3,0,0]=4 113 B12R0.125 CCCCCNC(=O)CS(=O)(=O)C 11a_100000209983_100000744497 [0,1,0,0,0,0|2,0,1]=4 114 B12R0.125 CCCCCNC(=O)CS(=O)(=O)C 240690a_100000209983_100000744497 [0,1,0,0,0,0|2,0,1]=4 115 B12R0.125 CCCCCNC(=O)CS(=O)(=O)C 527a_100000209983_100000744497 [0,1,0,0,0,0|2,0,1]=4 116 B12R0.125 CCCCOCC(=O)CC(C)(C)O 1458a_100000693243_100011995733 [0,1,0,0,0,0|3,0,0]=4 117 B12R0.125 CCCCOCC(=O)CS(=O)(=O)C 1458a_100000744497_100011995733 [0,1,0,0,0,0|2,0,1]=4 118 B12R0.125 CCCCOCC(=O)CS(=O)(=O)N 1458a_100000757543_100000741382 [0,1,0,0,0,0|2,0,1]=4 119 B12R0.125 CCCCOCC(=O)CS(=O)(=O)[O-] 1458a_100000757543_100009817235 [0,1,0,0,0,0|1,0,2]=4 120 B12R0.125 CCCCSCC(=O)CS(=O)(=O)N 1458a_100000191162_100000741382 [0,1,0,0,0,0|2,0,1]=4 121 B12R0.125 CCCCSCC(=O)CS(=O)(=O)[O-] 1458a_100000191162_100009817235 [0,1,0,0,0,0|1,0,2]=4 122 B12R0.125 CCCOCCC(=O)CC(C)(C)O 1458a_100000693243_100011215938 [0,1,0,0,0,0|3,0,0]=4 123 B12R0.125 CCCOCCC(=O)CS(=O)(=O)C 1458a_100000744497_100011215938 [0,1,0,0,0,0|2,0,1]=4 124 B12R0.125 CCOCCCC(=O)CC(C)(C)O 1458a_100000693243_100012232248 [0,1,0,0,0,0|3,0,0]=4 125 B12R0.125 CCOCCCC(=O)CS(=O)(=O)C 1458a_100000744497_100012232248 [0,1,0,0,0,0|2,0,1]=4 126 B12R0.125 COCCCCC(=O)CC(C)(C)O 1458a_100000693243_100000755781 [0,1,0,0,0,0|3,0,0]=4 127 B12R0.125 COCCCCC(=O)CS(=O)(=O)C 1458a_100000744497_100000755781 [0,1,0,0,0,0|2,0,1]=4 128 B12R0.125 CS(=O)(=O)CC(=O)CCCCCF 1458a_100000744497_100000729378 [0,1,0,0,0,0|2,0,1]=4 129 B12R0.125 CS(=O)(=O)CC(=O)CCCCCO 1458a_100000744497_100000746330 [0,1,0,0,0,0|2,0,1]=4 130 B12R0.125 NS(=O)(=O)CC(=O)CCCCCO 1458a_100102619762_100000741382 [0,1,0,0,0,0|2,0,1]=4 131 B12R0.125 O=C(CCCCCO)CS(=O)(=O)[O-] 1458a_100102619762_100009817235 [0,1,0,0,0,0|1,0,2]=4 132 B12R0.140 CC(C)CCCC(=O)CC(C)(C)O 1458a_100000693243_100011214892 [0,1,0,0,0,0|3,0,0]=4 133 B12R0.140 CC(C)CCCC(=O)CS(=O)(=O)C 1458a_100000744497_100011214892 [0,1,0,0,0,0|2,0,1]=4 134 B12R0.140 CC(C)CCCC(=O)CS(=O)(=O)N 1458a_100011216857_100000741382 [0,1,0,0,0,0|2,0,1]=4 135 B12R0.140 CC(C)CCCC(=O)CS(=O)(=O)[O-] 1458a_100011216857_100009817235 [0,1,0,0,0,0|1,0,2]=4 136 B12R0.140 CC(O)CCCC(=O)CC(C)(C)O 1458a_100000693243_200000718107 [0,1,0,0,0,0|3,0,0]=4 137 B12R0.140 CC(O)CCCC(=O)CS(=O)(=O)C 1458a_100000744497_200000718107 [0,1,0,0,0,0|2,0,1]=4 138 B12R0.155 CCC(C)CCC(=O)CS(=O)(=O)N 1458a_100000701222_100000741382 [0,1,0,0,0,0|2,0,1]=4 139 B12R0.155 CCC(C)CCC(=O)CS(=O)(=O)[O-] 1458a_100000701222_100009817235 [0,1,0,0,0,0|1,0,2]=4 140 B12R0.318 CCCCCC(=O)CC(C)(O)CC 1458a_200011219800_100000210326 [0,1,0,0,0,0|3,0,0]=4 141 B12R0.318 CCCCCC(=O)CS(=O)(=O)CC 1458a_100000744335_100000210326 [0,1,0,0,0,0|2,0,1]=4 142 B12R0.410 CCCCC(C)C(=O)CC(C)(C)O 1458a_100000693243_200011215066 [0,1,0,0,0,0|3,0,0]=4 143 B12R0.410 CCCCC(C)C(=O)CS(=O)(=O)C 1458a_100000744497_200011215066 [0,1,0,0,0,0|2,0,1]=4 144 B12R0.410 CCCCC(C)C(=O)CS(=O)(=O)N 1458a_100000725509_100000741382 [0,1,0,0,0,0|2,0,1]=4 145 B12R0.410 CCCCC(C)C(=O)CS(=O)(=O)[O-] 1458a_100000725509_100009817235 [0,1,0,0,0,0|1,0,2]=4 146 B12R0.410 CCCCC(O)C(=O)CS(=O)(=O)N 1458a_100000720857_100000741382 [0,1,0,0,0,0|2,0,1]=4 147 B12R0.410 CCCCC(O)C(=O)CS(=O)(=O)[O-] 1458a_100000720857_100009817235 [0,1,0,0,0,0|1,0,2]=4 148 B12R1.265 CC(C)(O)CC(=O)C1CCCC1 1458a_100000693243_100000179811 [0,0,0,1,0,0|3,0,0]=4 149 B12R1.265 CS(=O)(=O)CC(=O)C1CCCC1 1458a_100000744497_100000179811 [0,0,0,1,0,0|2,0,1]=4 150 B12R1.265 NS(=O)(=O)CC(=O)C1CCCC1 1458a_100000210718_100000741382 [0,0,0,1,0,0|2,0,1]=4 151 B12R1.265 O=C(CS(=O)(=O)[O-])C1CCCC1 1458a_100000210718_100009817235 [0,0,0,1,0,0|1,0,2]=4 152 B12R1.900 CCCCCC(=O)CC1(CO1)C 1458a_100000212188_100000760498 [0,0,0,1,0,0|3,0,0]=4 153 B12R1.1399 CC(C)(O)CC(=O)CCC1CC1 1458a_100000693243_100000694398 [0,0,0,1,0,0|3,0,0]=4 154 B12R1.1399 CS(=O)(=O)CC(=O)CCC1CC1 1458a_100000744497_100000694398 [0,0,0,1,0,0|2,0,1]=4 155 B12R1.1399 NS(=O)(=O)CC(=O)CCC1CC1 1458a_100000756386_100000741382 [0,0,0,1,0,0|2,0,1]=4 156 B12R1.1399 O=C(CCC1CC1)CS(=O)(=O)[O-] 1458a_100000756386_100009817235 [0,0,0,1,0,0|1,0,2]=4 157 B12R1.1401 CC(C)(O)CC(=O)CC1CCC1 1458a_100000693243_100000763275 [0,0,0,1,0,0|3,0,0]=4 158 B12R1.1401 CS(=O)(=O)CC(=O)CC1CCC1 1458a_100000744497_100000763275 [0,0,0,1,0,0|2,0,1]=4 159 B12R1.1401 NS(=O)(=O)CC(=O)CC1CCC1 1458a_100000763092_100000741382 [0,0,0,1,0,0|2,0,1]=4 160 B12R1.1401 O=C(CC1CCC1)CS(=O)(=O)[O-] 1458a_100000763092_100009817235 [0,0,0,1,0,0|1,0,2]=4 161 B12R1.1854 CCC1CC1C(=O)CS(=O)(=O)N 1458a_200011661523_100000741382 [0,0,0,1,0,0|2,0,1]=4 162 B12R1.1854 CCC1CC1C(=O)CS(=O)(=O)[O-] 1458a_200011661523_100009817235 [0,0,0,1,0,0|1,0,2]=4 163 B10R0.5 CCCCCC(=O)C(C)(C)O 1458a_100000242741_100000210326 [0,0,0,0,1,0|3,0,0]=4 164 B12R0.649 CCCCCC(=O)CCS(=O)(=O)C 1458a_100000212188_100000731031 [0,0,0,0,0,1|2,0,1]=4 165 B12R0.649 CCCCCC(=O)CCS(=O)(=O)C 1458a_100000737124_100000210326 [0,0,0,0,0,1|2,0,1]=4 166 B12R0.649 CCCCCC(=O)CCS(=O)(=O)N 1458a_100000737202_100000210326 [0,0,0,0,0,1|2,0,1]=4 167 B12R0.649 CCCCCC(=O)CCS(=O)(=O)[O-] 1458a_100000212188_100000762736 [0,0,0,0,0,1|1,0,2]=4 168 B12R0.649 CCCCCC(=O)CNS(=O)(=O)C 1458a_100000737300_100000210326 [0,0,0,0,0,1|2,0,1]=4 169 B12R0.649 CCCCCC(=O)NCC(C)(C)O 1626a_100000751335_100000212188 [0,0,0,0,0,1|3,0,0]=4 170 B12R0.649 CCCCCC(=O)NCC(C)(C)O 240690a_100000751335_100000212188 [0,0,0,0,0,1|3,0,0]=4 171 B12R0.649 CCCCCC(=O)NCC(C)(C)O 527a_100000751335_100000212188 [0,0,0,0,0,1|3,0,0]=4 172 B9R0.2 CCCCCNCC(=O)O 269956a_100016091260_100000210326 [2,0,0,0,0,0|2,0,0]=4 173 B9R0.4 CCCCC(=O)CC(=O)N 1458a_100000210183_100000187820 [2,0,0,0,0,0|2,0,0]=4 174 B9R0.4 CCCCC(=O)CC(=O)N 1458a_100134613110_100000210211 [2,0,0,0,0,0|2,0,0]=4 175 B9R0.4 CCCCC(=O)CC(=O)[O-] 1458a_100000210183_100020667443 [2,0,0,0,0,0|1,0,1]=4 176 B9R0.4 CCCCC(=O)CC(C)O 1458a_100000210183_100011218427 [2,0,0,0,0,0|2,0,0]=4 177 B9R0.4 CCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210211 [2,0,0,0,0,0|2,0,0]=4 178 B9R0.4 CCCCC(=O)C[N+](=O)[O-] 1458a_100000210183_100000761209 [2,0,0,0,0,0|0,1,1]=4 179 B9R0.5 C#CCC(=O)CCCCC 1458a_100000212188_100000184674 [2,0,0,0,0,0|2,0,0]=4 180 B9R0.5 C#CCC(=O)CCCCC 1458a_100011220946_100000210326 [2,0,0,0,0,0|2,0,0]=4 181 B9R0.5 C=CCC(=O)CCCCC 1458a_100000210193_100000210326 [2,0,0,0,0,0|2,0,0]=4 182 B9R0.5 C=CCC(=O)CCCCC 1458a_100000212188_100000210623 [2,0,0,0,0,0|2,0,0]=4 183 B9R0.5 CCCCCC(=O)CC#N 1458a_100000212188_100011214920 [2,0,0,0,0,0|2,0,0]=4 184 B9R0.5 CCCCCC(=O)CC#N 1458a_100051588842_100000210326 [2,0,0,0,0,0|2,0,0]=4 185 B9R0.5 CCCCCC(=O)CCC 1458a_100000211992_100000210326 [2,0,0,0,0,0|2,0,0]=4 186 B9R0.5 CCCCCC(=O)CCC 1458a_100000212188_100000210303 [2,0,0,0,0,0|2,0,0]=4 187 B9R0.5 CCCCCC(=O)CCF 1458a_100000212188_100011217306 [2,0,0,0,0,0|2,0,0]=4 188 B9R0.5 CCCCCC(=O)CCO 1458a_100000212188_100000211926 [2,0,0,0,0,0|1,0,0]=3 189 B9R0.5 CCCCCC(=O)CCO 1458a_100011216618_100000210326 [2,0,0,0,0,0|1,0,0]=3 190 B9R0.5 CCCCCC(=O)CNC 2230a_106832991635_200012276598 [2,0,0,0,0,0|1,1,0]=4 191 B9R0.5 CCCCCC(=O)CNC 34a_100102657272_200012276598 [2,0,0,0,0,0|1,1,0]=4 192 B9R0.5 CCCCCC(=O)CNC 7a_106832991635_200012276598 [2,0,0,0,0,0|1,1,0]=4 193 B9R0.5 CCCCCC(=O)COC 1458a_100000210968_100000210326 [2,0,0,0,0,0|2,0,0]=4 194 B9R0.5 CCCCCC(=O)COC 34a_100138415774_200012276598 [2,0,0,0,0,0|2,0,0]=4 195 B9R0.5 CCCCCC(=O)CSC 1458a_100000184570_100000210326 [2,0,0,0,0,0|2,0,0]=4 196 B9R0.5 CCCCCC(=O)CSC 62a_200000210301_200012276598 [2,0,0,0,0,0|2,0,0]=4 197 B9R0.5 CCCCCC(=O)CSC 62a_200012276598_200000210301 [2,0,0,0,0,0|2,0,0]=4 198 B9R0.5 CCCCCC(=O)CS[13CH3] 62a_200012276598_200025704644 [2,0,0,0,0,0|2,0,0]=4 199 B9R0.5 CCCCCC(=O)CS[13CH3] 62a_200025704644_200012276598 [2,0,0,0,0,0|2,0,0]=4 200 B9R0.5 CCCCNC(=O)CCO 240690a_100000102301_100011216618 [2,0,0,0,0,0|2,0,0]=4 201 B9R0.5 CCCOCC(=O)CCO 1458a_100000745993_100000211926 [2,0,0,0,0,0|2,0,0]=4 202 B9R0.5 CCCSCC(=O)CCO 1458a_100000217233_100000211926 [2,0,0,0,0,0|2,0,0]=4 203 B9R0.5 CCOCCC(=O)CCO 1458a_100000749530_100000211926 [2,0,0,0,0,0|2,0,0]=4 204 B9R0.5 CCOCCC(=O)CCO 1458a_100011216618_100011215890 [2,0,0,0,0,0|2,0,0]=4 205 B9R0.5 CCSCCC(=O)CCO 1458a_100000230768_100000211926 [2,0,0,0,0,0|2,0,0]=4 206 B9R0.5 CCSCCC(=O)CCO 1458a_100011216618_100000757381 [2,0,0,0,0,0|2,0,0]=4 207 B9R0.5 COCCCC(=O)CCO 1458a_100000741012_100000211926 [2,0,0,0,0,0|2,0,0]=4 208 B9R0.5 COCCCC(=O)CCO 1458a_100011216618_100000740836 [2,0,0,0,0,0|2,0,0]=4 209 B9R0.5 CSCCCC(=O)CCO 1458a_100000173376_100000211926 [2,0,0,0,0,0|2,0,0]=4 210 B9R0.5 O=C(CCO)CCCCF 1458a_100011216618_100000729493 [2,0,0,0,0,0|2,0,0]=4 211 B9R0.5 O=C(CCO)CCCCO 1458a_100000695505_100000211926 [2,0,0,0,0,0|2,0,0]=4 212 B9R0.5 O=C(CCO)CCCCO 1458a_100011216618_100000210776 [2,0,0,0,0,0|2,0,0]=4 213 B11R0.1 CCCC(C)CC(=O)CC(=O)N 1458a_100000748435_100000187820 [1,1,0,0,0,0|2,0,0]=4 214 B11R0.1 CCCC(C)CC(=O)CC(=O)N 1458a_100134613110_100011216630 [1,1,0,0,0,0|2,0,0]=4 215 B11R0.1 CCCC(C)CC(=O)CC(=O)[O-] 1458a_100000748435_100020667443 [1,1,0,0,0,0|1,0,1]=4 216 B11R0.1 CCCC(C)CC(=O)CC(C)O 1458a_100000748435_100011218427 [1,1,0,0,0,0|2,0,0]=4 217 B11R0.1 CCCC(C)CC(=O)C[C@@H](C)O 1458a_100011933948_100011216630 [1,1,0,0,0,0|2,0,0]=4 218 B11R0.1 CCCC(C)CC(=O)C[N+](=O)[O-] 1458a_100000748435_100000761209 [1,1,0,0,0,0|0,1,1]=4 219 B11R0.2 CC(O)CC(=O)CCCCCO 1458a_100102619762_100011218427 [1,1,0,0,0,0|2,0,0]=4 220 B11R0.2 CCCCCCC(=O)CC(=O)N 1458a_100102632555_100000187820 [1,1,0,0,0,0|2,0,0]=4 221 B11R0.2 CCCCCCC(=O)CC(=O)N 1458a_100134613110_100000210757 [1,1,0,0,0,0|2,0,0]=4 222 B11R0.2 CCCCCCC(=O)CC(=O)[O-] 1458a_100102632555_100020667443 [1,1,0,0,0,0|1,0,1]=4 223 B11R0.2 CCCCCCC(=O)CC(C)O 1458a_100102632555_100011218427 [1,1,0,0,0,0|2,0,0]=4 224 B11R0.2 CCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210757 [1,1,0,0,0,0|2,0,0]=4 225 B11R0.2 CCCCCCC(=O)C[N+](=O)[O-] 1458a_100102632555_100000761209 [1,1,0,0,0,0|0,1,1]=4 226 B11R0.2 CCCCCNC(=O)CC(=O)C 1458a_100000070787_100000230301 [1,1,0,0,0,0|2,0,0]=4 227 B11R0.2 CCCCCNC(=O)CC(=O)N 240690a_100000209983_100134613110 [1,1,0,0,0,0|2,0,0]=4 228 B11R0.2 CCCCCNC(=O)CC(=O)N 527a_100000209983_100134613110 [1,1,0,0,0,0|2,0,0]=4 229 B11R0.2 CCCCCNC(=O)C[C@@H](C)O 240690a_100000209983_100011933948 [1,1,0,0,0,0|2,0,0]=4 230 B11R0.2 CCCCOCC(=O)CC(=O)N 1458a_100000757543_100000187820 [1,1,0,0,0,0|2,0,0]=4 231 B11R0.2 CCCCOCC(=O)CC(=O)N 1458a_100134613110_100011995733 [1,1,0,0,0,0|2,0,0]=4 232 B11R0.2 CCCCOCC(=O)CC(=O)[O-] 1458a_100000757543_100020667443 [1,1,0,0,0,0|1,0,1]=4 233 B11R0.2 CCCCOCC(=O)CC(C)O 1458a_100000757543_100011218427 [1,1,0,0,0,0|2,0,0]=4 234 B11R0.2 CCCCOCC(=O)C[C@@H](C)O 1458a_100011933948_100011995733 [1,1,0,0,0,0|2,0,0]=4 235 B11R0.2 CCCCOCC(=O)C[N+](=O)[O-] 1458a_100000757543_100000761209 [1,1,0,0,0,0|0,1,1]=4 236 B11R0.2 CCCCSCC(=O)CC(=O)N 1458a_100000191162_100000187820 [1,1,0,0,0,0|2,0,0]=4 237 B11R0.2 CCCCSCC(=O)CC(=O)[O-] 1458a_100000191162_100020667443 [1,1,0,0,0,0|1,0,1]=4 238 B11R0.2 CCCCSCC(=O)CC(C)O 1458a_100000191162_100011218427 [1,1,0,0,0,0|2,0,0]=4 239 B11R0.2 CCCCSCC(=O)C[N+](=O)[O-] 1458a_100000191162_100000761209 [1,1,0,0,0,0|0,1,1]=4 240 B11R0.2 CCCOCCC(=O)CC(=O)N 1458a_100134613110_100011215938 [1,1,0,0,0,0|2,0,0]=4 241 B11R0.2 CCCOCCC(=O)C[C@@H](C)O 1458a_100011933948_100011215938 [1,1,0,0,0,0|2,0,0]=4 242 B11R0.2 CCOCCCC(=O)CC(=O)N 1458a_100134613110_100012232248 [1,1,0,0,0,0|2,0,0]=4 243 B11R0.2 CCOCCCC(=O)C[C@@H](C)O 1458a_100011933948_100012232248 [1,1,0,0,0,0|2,0,0]=4 244 B11R0.2 COCCCCC(=O)CC(=O)N 1458a_100134613110_100000755781 [1,1,0,0,0,0|2,0,0]=4 245 B11R0.2 COCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000755781 [1,1,0,0,0,0|2,0,0]=4 246 B11R0.2 C[C@@H](O)CC(=O)CCCCCF 1458a_100011933948_100000729378 [1,1,0,0,0,0|2,0,0]=4 247 B11R0.2 C[C@@H](O)CC(=O)CCCCCO 1458a_100011933948_100000746330 [1,1,0,0,0,0|2,0,0]=4 248 B11R0.2 NC(=O)CC(=O)CCCCCF 1458a_100134613110_100000729378 [1,1,0,0,0,0|2,0,0]=4 249 B11R0.2 NC(=O)CC(=O)CCCCCO 1458a_100102619762_100000187820 [1,1,0,0,0,0|2,0,0]=4 250 B11R0.2 NC(=O)CC(=O)CCCCCO 1458a_100134613110_100000746330 [1,1,0,0,0,0|2,0,0]=4 251 B11R0.2 O=C(CCCCCO)C[N+](=O)[O-] 1458a_100102619762_100000761209 [1,1,0,0,0,0|0,1,1]=4 252 B11R0.2 O=C([O-])CC(=O)CCCCCO 1458a_100102619762_100020667443 [1,1,0,0,0,0|1,0,1]=4 253 B11R0.6 CC(C)CCCC(=O)CC(=O)N 1458a_100011216857_100000187820 [1,1,0,0,0,0|2,0,0]=4 254 B11R0.6 CC(C)CCCC(=O)CC(=O)N 1458a_100134613110_100011214892 [1,1,0,0,0,0|2,0,0]=4 255 B11R0.6 CC(C)CCCC(=O)CC(=O)[O-] 1458a_100011216857_100020667443 [1,1,0,0,0,0|1,0,1]=4 256 B11R0.6 CC(C)CCCC(=O)CC(C)O 1458a_100011216857_100011218427 [1,1,0,0,0,0|2,0,0]=4 257 B11R0.6 CC(C)CCCC(=O)C[C@@H](C)O 1458a_100011933948_100011214892 [1,1,0,0,0,0|2,0,0]=4 258 B11R0.6 CC(C)CCCC(=O)C[N+](=O)[O-] 1458a_100011216857_100000761209 [1,1,0,0,0,0|0,1,1]=4 259 B11R0.6 CC(O)CCCC(=O)CC(=O)N 1458a_100134613110_200000718107 [1,1,0,0,0,0|2,0,0]=4 260 B11R0.6 CC(O)CCCC(=O)C[C@@H](C)O 1458a_100011933948_200000718107 [1,1,0,0,0,0|2,0,0]=4 261 B11R0.68 CCCCC(C)C(=O)CC(=O)N 1458a_100000725509_100000187820 [1,1,0,0,0,0|2,0,0]=4 262 B11R0.68 CCCCC(C)C(=O)CC(=O)N 1458a_100134613110_200011215066 [1,1,0,0,0,0|2,0,0]=4 263 B11R0.68 CCCCC(C)C(=O)CC(=O)[O-] 1458a_100000725509_100020667443 [1,1,0,0,0,0|1,0,1]=4 264 B11R0.68 CCCCC(C)C(=O)CC(C)O 1458a_100000725509_100011218427 [1,1,0,0,0,0|2,0,0]=4 265 B11R0.68 CCCCC(C)C(=O)C[C@@H](C)O 1458a_100011933948_200011215066 [1,1,0,0,0,0|2,0,0]=4 266 B11R0.68 CCCCC(C)C(=O)C[N+](=O)[O-] 1458a_100000725509_100000761209 [1,1,0,0,0,0|0,1,1]=4 267 B11R0.68 CCCCC(O)C(=O)CC(=O)N 1458a_100000720857_100000187820 [1,1,0,0,0,0|2,0,0]=4 268 B11R0.68 CCCCC(O)C(=O)CC(=O)[O-] 1458a_100000720857_100020667443 [1,1,0,0,0,0|1,0,1]=4 269 B11R0.68 CCCCC(O)C(=O)CC(C)O 1458a_100000720857_100011218427 [1,1,0,0,0,0|2,0,0]=4 270 B11R0.68 CCCCC(O)C(=O)C[N+](=O)[O-] 1458a_100000720857_100000761209 [1,1,0,0,0,0|0,1,1]=4 271 B11R0.107 CCC(C)CCC(=O)CC(=O)N 1458a_100000701222_100000187820 [1,1,0,0,0,0|2,0,0]=4 272 B11R0.107 CCC(C)CCC(=O)CC(=O)[O-] 1458a_100000701222_100020667443 [1,1,0,0,0,0|1,0,1]=4 273 B11R0.107 CCC(C)CCC(=O)CC(C)O 1458a_100000701222_100011218427 [1,1,0,0,0,0|2,0,0]=4 274 B11R0.107 CCC(C)CCC(=O)C[N+](=O)[O-] 1458a_100000701222_100000761209 [1,1,0,0,0,0|0,1,1]=4 275 B11R0.139 CCCCCC(=O)C(C)C(=O)C 1458a_100000212188_100000179758 [1,1,0,0,0,0|2,0,0]=4 276 B11R0.139 CCCCCC(=O)C(C)C(=O)N 1458a_100000212188_100000702099 [1,1,0,0,0,0|2,0,0]=4 277 B11R0.139 CCCCCC(=O)C(F)C(=O)N 1458a_100000212188_100009813875 [1,1,0,0,0,0|2,0,0]=4 278 B11R0.139 CCCCCC(=O)C(F)C(=O)[O-] 1458a_100000212188_100020610796 [1,1,0,0,0,0|1,0,1]=4 279 B11R0.154 C#CC(=O)CC(=O)CCCCC 1458a_100000211873_200012276598 [1,1,0,0,0,0|2,0,0]=4 280 B11R0.154 C=CC(=O)CC(=O)CCCCC 1458a_100000185746_200012276598 [1,1,0,0,0,0|2,0,0]=4 281 B11R0.154 CCCCCC(=O)CC(=O)CC 1458a_100000210414_200012276598 [1,1,0,0,0,0|2,0,0]=4 282 B11R0.154 CCCCCC(=O)CC(=O)CC 1458a_100000212188_100000747405 [1,1,0,0,0,0|2,0,0]=4 283 B11R0.154 CCCCCC(=O)CC(=O)CO 1458a_100000210174_200012276598 [1,1,0,0,0,0|1,0,0]=3 284 B11R0.154 CCCCCC(=O)CC(=O)NC 1458a_100000212188_100000183359 [1,1,0,0,0,0|2,0,0]=4 285 B11R0.154 CCCCCC(=O)CC(=O)OC 1458a_100000211351_100000210326 [1,1,0,0,0,0|1,0,0]=3 286 B11R0.154 CCCCCC(=O)CC(=O)OC 1458a_100000212188_100000747449 [1,1,0,0,0,0|1,0,0]=3 287 B11R0.154 CCCCCC(=O)CC(O)CC 1458a_100000212188_100011218378 [1,1,0,0,0,0|2,0,0]=4 288 B11R0.154 CCCCCC(=O)CC(O)CC 1458a_100011667805_100000210326 [1,1,0,0,0,0|2,0,0]=4 289 B11R0.154 CCCCCC(=O)C[C@@H](C)CO 1458a_100000212188_100000059175 [1,1,0,0,0,0|2,0,0]=4 290 B11R0.154 CCCCNC(=O)CC(=O)CO 1458a_100000210174_100000182744 [1,1,0,0,0,0|2,0,0]=4 291 B11R0.154 CCCCNC(=O)CC(=O)OC 240690a_100000102301_100000211351 [1,1,0,0,0,0|2,0,0]=4 292 B11R0.154 CCCCOC(=O)CC(=O)CO 1458a_100000210174_100000211628 [1,1,0,0,0,0|2,0,0]=4 293 B11R0.154 CCCOCC(=O)CC(=O)OC 1458a_100000745993_100000747449 [1,1,0,0,0,0|2,0,0]=4 294 B11R0.154 CCCSCC(=O)CC(=O)OC 1458a_100000217233_100000747449 [1,1,0,0,0,0|2,0,0]=4 295 B11R0.154 CCCSCC(=O)CC(=O)OC 62a_100000210303_100000210525 [1,1,0,0,0,0|2,0,0]=4 296 B11R0.154 CCCSCC(=O)CC(=O)OC 62a_100000210525_100000210303 [1,1,0,0,0,0|2,0,0]=4 297 B11R0.154 CCOCCC(=O)CC(=O)OC 1458a_100000211351_100011215890 [1,1,0,0,0,0|2,0,0]=4 298 B11R0.154 CCOCCC(=O)CC(=O)OC 1458a_100000749530_100000747449 [1,1,0,0,0,0|2,0,0]=4 299 B11R0.154 CCSCCC(=O)CC(=O)OC 1458a_100000211351_100000757381 [1,1,0,0,0,0|2,0,0]=4 300 B11R0.154 CCSCCC(=O)CC(=O)OC 1458a_100000230768_100000747449 [1,1,0,0,0,0|2,0,0]=4 301 B11R0.154 COC(=O)CC(=O)CCCCF 1458a_100000211351_100000729493 [1,1,0,0,0,0|2,0,0]=4 302 B11R0.154 COC(=O)CC(=O)CCCCO 1458a_100000211351_100000210776 [1,1,0,0,0,0|2,0,0]=4 303 B11R0.154 COC(=O)CC(=O)CCCCO 1458a_100000695505_100000747449 [1,1,0,0,0,0|2,0,0]=4 304 B11R0.154 COC(=O)CC(=O)CCCSC 1458a_100000173376_100000747449 [1,1,0,0,0,0|2,0,0]=4 305 B11R0.154 COCCCC(=O)CC(=O)OC 1458a_100000211351_100000740836 [1,1,0,0,0,0|2,0,0]=4 306 B11R0.154 COCCCC(=O)CC(=O)OC 1458a_100000741012_100000747449 [1,1,0,0,0,0|2,0,0]=4 307 B13R0.824 C#CCCCC(=O)CP(=O)(OC)OC 1458a_100000034275_100000731252 [0,2,0,0,0,0|0,0,2]=4 308 B13R0.824 C=CCCCC(=O)CP(=O)(OC)OC 1458a_100000034275_100000757094 [0,2,0,0,0,0|0,0,2]=4 309 B13R0.824 CC/C=C\CC(=O)CP(=O)(OC)OC 1458a_100000034275_100103147603 [0,2,0,0,0,0|0,0,2]=4 310 B13R0.824 CCC#CCC(=O)CP(=O)(OC)OC 1458a_100000034275_100009813939 [0,2,0,0,0,0|0,0,2]=4 311 B13R0.824 CCCCCC(=O)CP(=O)(OC)OC 1458a_100000034275_100000210326 [0,2,0,0,0,0|0,0,0]=2 312 B13R0.824 CCCCNC(=O)CP(=O)(OC)OC 240690a_100000102301_100000034275 [0,2,0,0,0,0|1,0,0]=3 313 B13R0.824 CCCCNC(=O)CP(=O)(OC)OC 527a_100000102301_100000034275 [0,2,0,0,0,0|1,0,0]=3 314 B13R0.824 CCCNNC(=O)CP(=O)(OC)OC 22a_100000740057_100000034275 [0,2,0,0,0,0|2,0,0]=4 315 B13R0.824 CCOCCC(=O)CP(=O)(OC)OC 1458a_100000034275_100011215890 [0,2,0,0,0,0|1,0,0]=3 316 B13R0.824 CCSCCC(=O)CP(=O)(OC)OC 1458a_100000034275_100000757381 [0,2,0,0,0,0|1,0,0]=3 317 B13R0.824 COCCCC(=O)CP(=O)(OC)OC 1458a_100000034275_100000740836 [0,2,0,0,0,0|1,0,0]=3 318 B13R0.824 COCCNC(=O)CP(=O)(OC)OC 240690a_100000209980_100000034275 [0,2,0,0,0,0|2,0,0]=4 319 B13R0.824 COCCNC(=O)CP(=O)(OC)OC 527a_100000209980_100000034275 [0,2,0,0,0,0|2,0,0]=4 320 B13R0.824 COP(=O)(CC(=O)CCCC#N)OC 1458a_100000034275_100000211468 [0,2,0,0,0,0|1,0,1]=4 321 B13R0.824 COP(=O)(CC(=O)CCCCF)OC 1458a_100000034275_100000729493 [0,2,0,0,0,0|1,0,0]=3 322 B13R0.824 COP(=O)(CC(=O)CCCCO)OC 1458a_100000034275_100000210776 [0,2,0,0,0,0|1,0,0]=3 323 B13R0.824 COP(=O)(CC(=O)NCCCF)OC 240690a_100015189416_100000034275 [0,2,0,0,0,0|2,0,0]=4 324 B13R0.824 COP(=O)(CC(=O)NCCCF)OC 527a_100015189416_100000034275 [0,2,0,0,0,0|2,0,0]=4 325 B13R0.824 COP(=O)(CC(=O)NCCCO)OC 240690a_100000182051_100000034275 [0,2,0,0,0,0|2,0,0]=4 326 B13R0.824 COP(=O)(CC(=O)NCCCO)OC 527a_100000182051_100000034275 [0,2,0,0,0,0|2,0,0]=4 327 B13R0.824 COP(=O)(CC(=O)NCCSC)OC 240690a_100020590264_100000034275 [0,2,0,0,0,0|2,0,0]=4 328 B13R0.824 COP(=O)(CC(=O)NCCSC)OC 527a_100020590264_100000034275 [0,2,0,0,0,0|2,0,0]=4 329 B11R1.77 CC(O)CC(=O)C1CCCC1 1458a_100000210718_100011218427 [1,0,0,1,0,0|2,0,0]=4 330 B11R1.77 C[C@@H](O)CC(=O)C1CCCC1 1458a_100011933948_100000179811 [1,0,0,1,0,0|2,0,0]=4 331 B11R1.77 NC(=O)CC(=O)C1CCCC1 1458a_100000210718_100000187820 [1,0,0,1,0,0|2,0,0]=4 332 B11R1.77 NC(=O)CC(=O)C1CCCC1 1458a_100134613110_100000179811 [1,0,0,1,0,0|2,0,0]=4 333 B11R1.77 O=C(C[N+](=O)[O-])C1CCCC1 1458a_100000210718_100000761209 [1,0,0,1,0,0|0,1,1]=4 334 B11R1.77 O=C([O-])CC(=O)C1CCCC1 1458a_100000210718_100020667443 [1,0,0,1,0,0|1,0,1]=4 335 B11R1.143 CC(=O)C1CCCCCC1=O 1458a_100000070787_100000243696 [1,0,0,1,0,0|2,0,0]=4 336 B11R1.257 CCC1CC1C(=O)CC(=O)N 1458a_200011661523_100000187820 [1,0,0,1,0,0|2,0,0]=4 337 B11R1.257 CCC1CC1C(=O)CC(=O)[O-] 1458a_200011661523_100020667443 [1,0,0,1,0,0|1,0,1]=4 338 B11R1.257 CCC1CC1C(=O)CC(C)O 1458a_200011661523_100011218427 [1,0,0,1,0,0|2,0,0]=4 339 B11R1.257 CCC1CC1C(=O)C[N+](=O)[O-] 1458a_200011661523_100000761209 [1,0,0,1,0,0|0,1,1]=4 340 B11R1.301 CCCCCC(=O)CC1CO1 1458a_100000212188_100011216344 [1,0,0,1,0,0|2,0,0]=4 341 B11R1.301 CCCCCC(=O)C[C@@H]1CO1 1458a_100000212188_100000745022 [1,0,0,1,0,0|2,0,0]=4 342 B11R1.484 CC(O)CC(=O)CC1CCC1 1458a_100000763092_100011218427 [1,0,0,1,0,0|2,0,0]=4 343 B11R1.484 C[C@@H](O)CC(=O)CC1CCC1 1458a_100011933948_100000763275 [1,0,0,1,0,0|2,0,0]=4 344 B11R1.484 NC(=O)CC(=O)CC1CCC1 1458a_100000763092_100000187820 [1,0,0,1,0,0|2,0,0]=4 345 B11R1.484 NC(=O)CC(=O)CC1CCC1 1458a_100134613110_100000763275 [1,0,0,1,0,0|2,0,0]=4 346 B11R1.484 O=C(CC1CCC1)C[N+](=O)[O-] 1458a_100000763092_100000761209 [1,0,0,1,0,0|0,1,1]=4 347 B11R1.484 O=C([O-])CC(=O)CC1CCC1 1458a_100000763092_100020667443 [1,0,0,1,0,0|1,0,1]=4 348 B11R1.485 CC(O)CC(=O)CCC1CC1 1458a_100000756386_100011218427 [1,0,0,1,0,0|2,0,0]=4 349 B11R1.485 C[C@@H](O)CC(=O)CCC1CC1 1458a_100011933948_100000694398 [1,0,0,1,0,0|2,0,0]=4 350 B11R1.485 NC(=O)CC(=O)CCC1CC1 1458a_100000756386_100000187820 [1,0,0,1,0,0|2,0,0]=4 351 B11R1.485 NC(=O)CC(=O)CCC1CC1 1458a_100134613110_100000694398 [1,0,0,1,0,0|2,0,0]=4 352 B11R1.485 O=C(CCC1CC1)C[N+](=O)[O-] 1458a_100000756386_100000761209 [1,0,0,1,0,0|0,1,1]=4 353 B11R1.485 O=C([O-])CC(=O)CCC1CC1 1458a_100000756386_100020667443 [1,0,0,1,0,0|1,0,1]=4 354 B9R0.47 CCCCCC(=O)C(O)O 1458a_100000233687_100000210326 [1,0,0,0,1,0|1,0,0]=3 355 B9R0.47 CCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210326 [1,0,0,0,1,0|2,0,0]=4 356 B9R0.47 CCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210326 [1,0,0,0,1,0|2,0,0]=4 357 B9R0.47 CCCCNC(=O)C(O)O 240690a_100000102301_100000233687 [1,0,0,0,1,0|2,0,0]=4 358 B9R0.47 CCOCCC(=O)C(O)O 1458a_100000233687_100011215890 [1,0,0,0,1,0|2,0,0]=4 359 B9R0.47 CCSCCC(=O)C(O)O 1458a_100000233687_100000757381 [1,0,0,0,1,0|2,0,0]=4 360 B9R0.47 COCCCC(=O)C(O)O 1458a_100000233687_100000740836 [1,0,0,0,1,0|2,0,0]=4 361 B9R0.47 O=C(CCCCF)C(O)O 1458a_100000233687_100000729493 [1,0,0,0,1,0|2,0,0]=4 362 B9R0.47 O=C(CCCCO)C(O)O 1458a_100000233687_100000210776 [1,0,0,0,1,0|2,0,0]=4 363 B11R0.46 CCCCCC(=O)CCC(=O)N 1458a_100011215257_100000210326 [1,0,0,0,0,1|2,0,0]=4 364 B11R0.46 CCCCCC(=O)CCC(C)O 1458a_100000212188_100012276601 [1,0,0,0,0,1|2,0,0]=4 365 B11R0.46 CCCCCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000210326 [1,0,0,0,0,1|0,1,1]=4 366 B11R0.46 CCCCCC(=O)CNC(=O)C 1458a_100000194580_100000210326 [1,0,0,0,0,1|2,0,0]=4 367 B11R0.46 CCCCCC(=O)CNC(=O)N 1458a_100000184981_100000210326 [1,0,0,0,0,1|2,0,0]=4 368 B11R0.46 CCCCCC(=O)COC(=O)C 1458a_100000183556_100000210326 [1,0,0,0,0,1|2,0,0]=4 369 B11R0.46 CCCCCC(=O)CSC(=O)C 1458a_100000049016_100000210326 [1,0,0,0,0,1|2,0,0]=4 370 B11R0.46 CCCCCC(=O)NCC(=O)N 11a_100000711301_100000212188 [1,0,0,0,0,1|2,0,0]=4 371 B11R0.46 CCCCCC(=O)NCC(=O)N 240690a_100000711301_100000212188 [1,0,0,0,0,1|2,0,0]=4 372 B11R0.46 CCCCCC(=O)NCC(=O)N 527a_100000711301_100000212188 [1,0,0,0,0,1|2,0,0]=4 373 B11R0.46 CCCCCC(=O)NCC(C)O 11a_100000210904_100000212188 [1,0,0,0,0,1|2,0,0]=4 374 B11R0.46 CCCCCC(=O)NCC(C)O 240690a_100000210904_100000212188 [1,0,0,0,0,1|2,0,0]=4 375 B11R0.46 CCCCCC(=O)NCC(C)O 527a_100000210904_100000212188 [1,0,0,0,0,1|2,0,0]=4 376 B11R0.46 CCCNCC(=O)NCC(=O)O 269956a_100000183575_100000210207 [1,0,0,0,0,1|2,0,0]=4 377 B11R0.46 CCNCCC(=O)NCC(=O)O 269956a_100000722369_100000210202 [1,0,0,0,0,1|2,0,0]=4