0 B15R0.222 CC(=O)CCCCCCCCCCC(=O)N 1458a_100000070787_200010167045 [0,0,0,0,0,0|2,0,2]=4 1 B15R0.222 CC(=O)CCCCSCCC/C=C/B(O)O 62a_100000735457_200016261450 [0,0,0,0,0,0|3,0,1]=4 2 B15R0.222 CC(=O)CCCCSCCC/C=C/B(O)O 62a_200016261450_100000735457 [0,0,0,0,0,0|3,0,1]=4 3 B15R0.222 NC(=O)CCCCCNCCOCC(=O)O 269956a_100000700818_100009817443 [0,0,0,0,0,0|3,0,1]=4 4 B15R0.222 NC(=O)CCCCNCCC/C=C/B(O)O 34a_100000696515_200016261450 [0,0,0,0,0,0|3,0,1]=4 5 B15R0.222 NC(=O)CCCCOCCC/C=C/B(O)O 34a_100012022536_200016261450 [0,0,0,0,0,0|3,0,1]=4 6 B15R0.222 NC(=O)CCCCOCCC/C=C/B(O)O 7a_100012022536_200016261450 [0,0,0,0,0,0|3,0,1]=4 7 B15R0.222 O=C(O)COCCNCCC/C=C/B(O)O 269956a_100000700818_200016261450 [0,0,0,0,0,0|3,0,1]=4 8 B14R0.394 C=CCCCCCCCCNCC(=O)O 269956a_100016091260_100011933949 [1,0,0,0,0,0|2,0,1]=4 9 B14R0.394 O=C(O)CNCCCCCCCCCO 269956a_100016091260_100009813782 [1,0,0,0,0,0|1,0,2]=4 10 B14R0.394 O=CCCCCCNCCOCC(=O)O 269956a_100000700818_100000139337 [1,0,0,0,0,0|2,0,1]=4 11 B14R0.394 O=CCCCCSCCC/C=C/B(O)O 62a_100000139335_200016261450 [1,0,0,0,0,0|2,0,1]=4 12 B14R0.394 O=CCCCCSCCC/C=C/B(O)O 62a_200016261450_100000139335 [1,0,0,0,0,0|2,0,1]=4 13 B16R0.165 COC(=O)/C=C/CNCCCCCNC(=O)C 2230a_200012022750_100000742655 [0,1,0,0,0,0|3,0,0]=4 14 B16R0.165 COC(=O)/C=C/CNCCCCCNC(=O)C 34a_200012022750_100000742655 [0,1,0,0,0,0|3,0,0]=4 15 B16R0.165 COC(=O)/C=C/CSCCCCCCB(O)O 62a_100000742655_100009817187 [0,1,0,0,0,0|2,0,1]=4 16 B16R0.165 COC(=O)/C=C/CSCCCCCCB(O)O 62a_100009817187_100000742655 [0,1,0,0,0,0|2,0,1]=4 17 B16R0.165 COC(=O)/C=C/CSCCCCCOC(=O)C 62a_100000033007_100000742655 [0,1,0,0,0,0|3,0,0]=4 18 B16R0.165 COC(=O)/C=C/CSCCCCCOC(=O)C 62a_100000742655_100000033007 [0,1,0,0,0,0|3,0,0]=4 19 B16R0.165 COC(=O)CCCCCCCCCCC(=O)C 1458a_100000070787_100009812566 [0,1,0,0,0,0|1,0,2]=4 20 B16R0.165 COC(=O)CCCCCCCCCCC(=O)C 1458a_100016987261_200000210301 [0,1,0,0,0,0|1,0,2]=4 21 B16R0.165 COC(=O)CCCCCCCCCCC(=O)[13CH3] 1458a_100016987261_200025704644 [0,1,0,0,0,0|1,0,2]=4 22 B16R0.165 COC(=O)CCCCCCCCNCC(=O)N 2230a_100000711301_100010282707 [0,1,0,0,0,0|2,0,1]=4 23 B16R0.165 COC(=O)CCCCCCCCNCC(=O)O 269956a_100016091260_100010282707 [0,1,0,0,0,0|1,0,1]=3 24 B16R0.165 COC(=O)CCCCCCCCOCC(=O)C 34a_100000211253_100010282707 [0,1,0,0,0,0|2,0,1]=4 25 B16R0.165 COC(=O)CCCCCCCCOCC(=O)N 34a_100000035544_100000187820 [0,1,0,0,0,0|2,0,1]=4 26 B16R0.165 COC(=O)CCCCCCCCOCC(=O)N 7a_100000035544_100000187820 [0,1,0,0,0,0|2,0,1]=4 27 B16R0.165 COC(=O)CCCCCCCCOCC(=O)[O-] 34a_100000035544_100020667443 [0,1,0,0,0,0|1,0,2]=4 28 B16R0.165 COC(=O)CCCCCCCCSCC(=O)N 62a_100000747473_100010282707 [0,1,0,0,0,0|2,0,1]=4 29 B16R0.165 COC(=O)CCCCCCCCSCC(=O)N 62a_100010282707_100000747473 [0,1,0,0,0,0|2,0,1]=4 30 B16R0.165 COC(=O)CCCCCCCCSCC(=O)[O-] 62a_100010282707_100020667443 [0,1,0,0,0,0|1,0,2]=4 31 B16R0.165 COC(=O)CCCCCCCCSCC(=O)[O-] 62a_100020667443_100010282707 [0,1,0,0,0,0|1,0,2]=4 32 B16R0.165 COC(=O)CCCCCCCNOCC(=O)O 269956a_100000106656_100010004213 [0,1,0,0,0,0|2,0,1]=4 33 B16R0.165 COC(=O)CCCCCCOC/C=C/B(O)O 34a_100009863599_100016262062 [0,1,0,0,0,0|2,0,1]=4 34 B16R0.165 COC(=O)CCCCCCOC/C=C/B(O)O 7a_100009863599_100016262062 [0,1,0,0,0,0|2,0,1]=4 35 B16R0.165 COC(=O)CCCCCCSC/C=C/B(O)O 62a_100009815986_100016262062 [0,1,0,0,0,0|2,0,1]=4 36 B16R0.165 COC(=O)CCCCCCSC/C=C/B(O)O 62a_100016262062_100009815986 [0,1,0,0,0,0|2,0,1]=4 37 B16R0.165 COC(=O)CCCCCNCCOCC(=O)O 269956a_100000700818_100009816466 [0,1,0,0,0,0|2,0,1]=4 38 B16R0.165 COC(=O)CCCCOCCC/C=C/B(O)O 34a_100000059025_200016261450 [0,1,0,0,0,0|2,0,1]=4 39 B16R0.165 COC(=O)CCCCOCCC/C=C/B(O)O 7a_100000059025_200016261450 [0,1,0,0,0,0|2,0,1]=4 40 B16R0.165 COC(=O)CCCCSCCC/C=C/B(O)O 62a_100000204269_200016261450 [0,1,0,0,0,0|2,0,1]=4 41 B16R0.165 COC(=O)CCCCSCCC/C=C/B(O)O 62a_200016261450_100000204269 [0,1,0,0,0,0|2,0,1]=4 42 B16R0.165 NC(=O)CCCCCCCCCCC(=O)CO 1458a_100000210174_200010167045 [0,1,0,0,0,0|1,0,2]=4 43 B16R1.12294 NC(=O)CN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000187820 [0,0,0,1,0,0|2,0,1]=4 44 B16R1.12294 O=C([O-])CN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100020667443 [0,0,0,1,0,0|1,0,2]=4 45 B16R1.12322 O=C(O)[C@@H]1CCCC[C@H]1NC/C=C/B(O)O 269956a_100009816435_100016262062 [0,0,0,1,0,0|2,0,1]=4 46 B16R1.12379 O=C(O)[C@@H]1CCCN1CCC/C=C/B(O)O 269956a_100000743916_200016261450 [0,0,0,1,0,0|2,0,1]=4 47 B16R1.12416 O=C(O)C1CCCCCN1C/C=C/B(O)O 269956a_100000758484_100016262062 [0,0,0,1,0,0|2,0,1]=4 48 B16R0.3288 NC(=O)CCCCCOCCC/C=C/B(O)O 34a_100000123541_200016261450 [0,0,0,0,0,1|2,0,1]=4 49 B16R0.3288 NC(=O)CCCCCOCCC/C=C/B(O)O 7a_100000123541_200016261450 [0,0,0,0,0,1|2,0,1]=4 50 B16R0.3288 NC(=O)CCCCCSCCC/C=C/B(O)O 62a_100009817443_200016261450 [0,0,0,0,0,1|2,0,1]=4 51 B16R0.3288 NC(=O)CCCCCSCCC/C=C/B(O)O 62a_200016261450_100009817443 [0,0,0,0,0,1|2,0,1]=4 52 B16R0.3288 O=C([O-])CCCCCOCCC/C=C/B(O)O 7a_100102619762_200016261450 [0,0,0,0,0,1|1,0,2]=4 53 B13R0.54 C=CCCCCCCCCCC(=O)C 1458a_100000070787_100009814027 [2,0,0,0,0,0|1,0,1]=4 54 B13R0.54 C=CCCCCCCCNCC(=O)O 269956a_100016091260_100012355270 [2,0,0,0,0,0|1,0,1]=4 55 B13R0.54 CCCCCCCCCC=CC(=O)C 1458a_200015352897_200000210301 [2,0,0,0,0,0|1,0,1]=4 56 B13R0.54 CCCCCCCCCC=CC(=O)[13CH3] 1458a_200015352897_200025704644 [2,0,0,0,0,0|1,0,1]=4 57 B13R0.54 O=C(O)CNCCCCCCCCO 269956a_100016091260_100000033203 [2,0,0,0,0,0|1,0,1]=4 58 B15R0.81 C=CCCCCCCOC/C=C/C(=O)OC 34a_200011216477_100000742655 [1,1,0,0,0,0|2,0,0]=4 59 B15R0.81 C=CCCCCCCOC/C=C/C(=O)OC 7a_200011216477_100000742655 [1,1,0,0,0,0|2,0,0]=4 60 B15R0.81 C=CCCCCCCSC/C=C/C(=O)OC 62a_100000742655_100011215473 [1,1,0,0,0,0|2,0,0]=4 61 B15R0.81 C=CCCCCCCSC/C=C/C(=O)OC 62a_100011215473_100000742655 [1,1,0,0,0,0|2,0,0]=4 62 B15R0.81 COC(=O)/C=C/CNCCCCCCCO 2230a_100011996573_100000742655 [1,1,0,0,0,0|1,0,1]=4 63 B15R0.81 COC(=O)/C=C/CNCCCCCCCO 34a_100011996573_100000742655 [1,1,0,0,0,0|1,0,1]=4 64 B15R0.81 COC(=O)/C=C/CSCCCCCCCO 62a_100000742655_100000760002 [1,1,0,0,0,0|1,0,1]=4 65 B15R0.81 COC(=O)/C=C/CSCCCCCCCO 62a_100000760002_100000742655 [1,1,0,0,0,0|1,0,1]=4 66 B15R0.81 COC(=O)CCCCCCCCOCC=O 34a_100000035544_200009817547 [1,1,0,0,0,0|1,0,1]=4 67 B15R0.81 COC(=O)CCCCCCCCOCC=O 7a_100000035544_200015260668 [1,1,0,0,0,0|1,0,1]=4 68 B15R0.81 COC(=O)CCCCCCCCSCC=O 62a_100010282707_200015260668 [1,1,0,0,0,0|1,0,1]=4 69 B15R0.81 COC(=O)CCCCCCCCSCC=O 62a_200015260668_100010282707 [1,1,0,0,0,0|1,0,1]=4 70 B15R0.164 O=CCCCCCSCCC/C=C/B(O)O 62a_100000139337_200016261450 [1,1,0,0,0,0|1,0,1]=4 71 B15R0.164 O=CCCCCCSCCC/C=C/B(O)O 62a_200016261450_100000139337 [1,1,0,0,0,0|1,0,1]=4 72 B17R0.14363 COC(=O)/C=C/CNCCCCCCNC(=O)C 2230a_200011996284_100000742655 [0,1,0,0,0,1|2,0,0]=4 73 B17R0.14363 COC(=O)/C=C/CNCCCCCCNC(=O)C 34a_200011996284_100000742655 [0,1,0,0,0,1|2,0,0]=4 74 B17R0.14363 COC(=O)CCCCCCCCC=NNC(=O)C 4a_100000189765_200010166605 [0,1,0,0,0,1|2,0,0]=4 75 B17R0.14363 COC(=O)CCCCCCCCCNCC(=O)O 269956a_100016091260_100009813843 [0,1,0,0,0,1|0,0,2]=4 76 B17R0.14363 COC(=O)CCCCCCCCNOCC(=O)O 269956a_100000106656_100010282707 [0,1,0,0,0,1|1,0,1]=4 77 B17R0.14363 COC(=O)CCCCCCCOC/C=C/B(O)O 34a_100011022521_100016262062 [0,1,0,0,0,1|1,0,1]=4 78 B17R0.14363 COC(=O)CCCCCCCOC/C=C/B(O)O 7a_100011022521_100016262062 [0,1,0,0,0,1|1,0,1]=4 79 B17R0.14363 COC(=O)CCCCCCCSC/C=C/B(O)O 62a_100010004213_100016262062 [0,1,0,0,0,1|1,0,1]=4 80 B17R0.14363 COC(=O)CCCCCCCSC/C=C/B(O)O 62a_100016262062_100010004213 [0,1,0,0,0,1|1,0,1]=4 81 B17R0.14363 COC(=O)CCCCCCNCCOCC(=O)O 269956a_100000700818_100009815986 [0,1,0,0,0,1|1,0,1]=4 82 B17R0.14363 COC(=O)CCCCCOCCC/C=C/B(O)O 34a_100000074720_200016261450 [0,1,0,0,0,1|1,0,1]=4 83 B17R0.14363 COC(=O)CCCCCOCCC/C=C/B(O)O 7a_100000074720_200016261450 [0,1,0,0,0,1|1,0,1]=4 84 B17R0.14363 COC(=O)CCCCCSCCC/C=C/B(O)O 62a_100009816466_200016261450 [0,1,0,0,0,1|1,0,1]=4 85 B17R0.14363 COC(=O)CCCCCSCCC/C=C/B(O)O 62a_200016261450_100009816466 [0,1,0,0,0,1|1,0,1]=4 86 B17R0.186 COC(=O)CCCCCCCCC(=O)C=C(C)C 1458a_100000211388_100010282707 [0,2,0,0,0,0|2,0,0]=4 87 B17R0.186 COC(=O)CCCCCCCCC(=O)C=C(C)Cl 1458a_200042562850_100010282707 [0,2,0,0,0,0|2,0,0]=4 88 B17R0.186 COC(=O)CCCCCCCCC(=O)C=C(C)I 1458a_100025716642_100010282707 [0,2,0,0,0,0|2,0,0]=4 89 B17R0.186 COC(=O)CCCCCCCCC(=O)C=C(Cl)Cl 1458a_100000137448_100010282707 [0,2,0,0,0,0|2,0,0]=4 90 B17R0.186 COC(=O)CCCCCCCCC(=O)CC(=O)N 1458a_100000036616_100000187820 [0,2,0,0,0,0|1,0,1]=4 91 B17R0.186 COC(=O)CCCCCCCCC(=O)CC(=O)N 1458a_100134613110_100010282707 [0,2,0,0,0,0|1,0,1]=4 92 B17R0.186 COC(=O)CCCCCCCCC(=O)CC(=O)[O-] 1458a_100000036616_100020667443 [0,2,0,0,0,0|0,0,2]=4 93 B17R0.186 COC(=O)CCCCCCCCN(C)CC(=O)O 269956a_100000746989_100010282707 [0,2,0,0,0,0|1,0,1]=4 94 B17R0.256 CCOC(=O)CCCCCCCCNCC(=O)O 269956a_100016091260_100010175975 [0,2,0,0,0,0|1,0,1]=4 95 B17R0.11645 COC(=O)/C=C/COCCCCCCC(=O)OC 34a_100009863599_100000742655 [0,2,0,0,0,0|1,0,0]=3 96 B17R0.11645 COC(=O)/C=C/COCCCCCCC(=O)OC 7a_100009863599_100000742655 [0,2,0,0,0,0|1,0,0]=3 97 B17R0.11645 COC(=O)/C=C/CSCCCCCCC(=O)OC 62a_100000742655_100009815986 [0,2,0,0,0,0|1,0,0]=3 98 B17R0.11645 COC(=O)/C=C/CSCCCCCCC(=O)OC 62a_100009815986_100000742655 [0,2,0,0,0,0|1,0,0]=3 99 B17R0.11645 COC(=O)CCCCCCCCCCC(=O)CO 1458a_100000210174_100009812566 [0,2,0,0,0,0|0,0,2]=4 100 B17R0.11645 COC(=O)CCCCCCCCOCC(=O)OC 34a_100000035544_100000747449 [0,2,0,0,0,0|1,0,1]=4 101 B17R0.11645 COC(=O)CCCCCCCCOCC(=O)OC 7a_100000035544_100000747449 [0,2,0,0,0,0|1,0,1]=4 102 B17R0.11645 COC(=O)CCCCCCCCSCC(=O)OC 62a_100000747449_100010282707 [0,2,0,0,0,0|1,0,1]=4 103 B17R0.11645 COC(=O)CCCCCCCCSCC(=O)OC 62a_100010282707_100000747449 [0,2,0,0,0,0|1,0,1]=4 104 B17R0.11647 COC(=O)CCCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100010282707 [0,2,0,0,0,0|1,0,1]=4 105 B15R1.10901 O=CCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_200015260668 [1,0,0,1,0,0|1,0,1]=4 106 B17R1.16140 O=C(O)CCC1CCCCN1C/C=C/B(O)O 269956a_100000694054_100016262062 [0,0,0,1,0,1|1,0,1]=4 107 B17R1.16398 O=C(O)[C@H]1CCCCN1CCC/C=C/B(O)O 269956a_100000763471_200016261450 [0,0,0,1,0,1|1,0,1]=4 108 B17R1.3019 COC(=O)/C=C/CN1CCCCC1CC(=O)N 2230a_100015184752_100000742655 [0,1,0,1,0,0|2,0,0]=4 109 B17R1.3019 COC(=O)/C=C/CN1CCCCC1CC(=O)N 269982a_100015184752_100000742655 [0,1,0,1,0,0|2,0,0]=4 110 B17R1.3019 COC(=O)/C=C/CN1CCCCC1CC(=O)N 34a_100015184752_100000742655 [0,1,0,1,0,0|2,0,0]=4 111 B17R1.23999 COC(=O)CN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000747449 [0,1,0,1,0,0|1,0,1]=4