0 B11R0.66 CCC(=O)C(C)C(=O)C(O)CO 1458a_100011215603_100000742827 [0,0,0,0,0,0|2,0,2]=4 1 B10R0.35 CC(CCO)N(C)C(=O)CO 240690a_100000731037_100000210174 [1,0,0,0,0,0|3,0,0]=4 2 B10R0.35 CC(CCO)N(C)C(=O)CO 527a_100000731037_100000210174 [1,0,0,0,0,0|3,0,0]=4 3 B10R0.35 O=C(CCO)[C@H](O)[C@H](O)CO 1458a_100015448053_100000211926 [1,0,0,0,0,0|0,0,3]=4 4 B10R0.46 CCC(=O)CC(=O)C(O)CO 1458a_100011215603_100000747405 [1,0,0,0,0,0|1,0,2]=4 5 B10R0.46 CCC(=O)N(C)CC(O)CO 240690a_100011216503_100000210414 [1,0,0,0,0,0|3,0,0]=4 6 B10R0.46 CCC(=O)N(C)CC(O)CO 527a_100011216503_100000210414 [1,0,0,0,0,0|3,0,0]=4 7 B10R0.46 CN(CC(O)CO)C(=O)CO 240690a_100011216503_100000210174 [1,0,0,0,0,0|2,0,0]=3 8 B10R0.46 CN(CC(O)CO)C(=O)CO 527a_100011216503_100000210174 [1,0,0,0,0,0|2,0,0]=3 9 B10R0.56 CC(=O)C(C)C(=O)C(O)CO 1458a_100011215603_100000179758 [1,0,0,0,0,0|1,0,2]=4 10 B12R0.196 CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO 2230a_100016995265_200000210301 [0,1,0,0,0,0|1,0,2]=4 11 B12R0.196 [13CH3]NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO 2230a_100016995265_200025704644 [0,1,0,0,0,0|1,0,2]=4 12 B12R0.61 CCC(=O)CC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_100000747405 [0,0,0,0,0,1|1,0,2]=4 13 B9R0.8 CCCCC(C)C(=O)CO 1458a_100000210174_200011215066 [2,0,0,0,0,0|2,0,0]=4 14 B9R0.8 CCCCC(O)C(=O)CC 1458a_100000720857_100000210202 [2,0,0,0,0,0|2,0,0]=4 15 B9R0.8 CCCCC(O)C(=O)CF 1458a_100000720857_100015361967 [2,0,0,0,0,0|2,0,0]=4 16 B9R0.8 CN(CCCO)C(=O)CO 240690a_100000213112_100000210174 [2,0,0,0,0,0|2,0,0]=4 17 B9R0.8 CN(CCCO)C(=O)CO 527a_100000213112_100000210174 [2,0,0,0,0,0|2,0,0]=4 18 B9R0.27 CCC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_100000210202 [2,0,0,0,0,0|1,0,0]=3 19 B9R0.27 CNC(=O)[C@H](O)[C@H](O)CO 240690a_100102657272_100015448053 [2,0,0,0,0,0|2,0,0]=4 20 B9R0.27 O=C(CF)[C@H](O)[C@H](O)CO 1458a_100015448053_100015361967 [2,0,0,0,0,0|1,0,0]=3 21 B9R0.34 CCCC(C)CC(=O)CO 1458a_100000210174_100011216630 [2,0,0,0,0,0|2,0,0]=4 22 B9R0.34 C[C@H](CCO)NC(=O)CO 240690a_100000706166_100000210174 [2,0,0,0,0,0|2,0,0]=4 23 B9R0.34 C[C@H](CCO)NC(=O)CO 527a_100000706166_100000210174 [2,0,0,0,0,0|2,0,0]=4 24 B9R0.23 CC(C)CC(C)C(=O)CO 1458a_100000210174_100000731052 [2,0,0,0,0,0|2,0,0]=4 25 B9R0.23 CC(C)C[C@H](O)C(=O)CF 1458a_100012027011_100015361967 [2,0,0,0,0,0|2,0,0]=4 26 B9R0.23 CC(O)CN(C)C(=O)CO 240690a_100000227577_100000210174 [2,0,0,0,0,0|2,0,0]=4 27 B9R0.23 CC(O)CN(C)C(=O)CO 527a_100000227577_100000210174 [2,0,0,0,0,0|2,0,0]=4 28 B9R0.23 CCC(=O)[C@@H](O)CC(C)C 1458a_100012027011_100000210202 [2,0,0,0,0,0|2,0,0]=4 29 B9R0.24 CC(CO)CNC(=O)CO 240690a_100000744482_100000210174 [2,0,0,0,0,0|2,0,0]=4 30 B9R0.24 CC(CO)CNC(=O)CO 527a_100000744482_100000210174 [2,0,0,0,0,0|2,0,0]=4 31 B9R0.24 CCC(=O)NC[C@H](O)CO 240690a_100020644852_100000210414 [2,0,0,0,0,0|2,0,0]=4 32 B9R0.24 CCC(=O)NC[C@H](O)CO 527a_100020644852_100000210414 [2,0,0,0,0,0|2,0,0]=4 33 B9R0.24 CCC(O)CNC(=O)CO 240690a_100011218483_100000210174 [2,0,0,0,0,0|2,0,0]=4 34 B9R0.24 CCC(O)CNC(=O)CO 527a_100011218483_100000210174 [2,0,0,0,0,0|2,0,0]=4 35 B9R0.24 O=C(CO)NC[C@@H](F)CO 240690a_100015665980_100000210174 [2,0,0,0,0,0|2,0,0]=4 36 B9R0.24 O=C(CO)NC[C@@H](F)CO 527a_100015665980_100000210174 [2,0,0,0,0,0|2,0,0]=4 37 B9R0.24 O=C(CO)NC[C@H](O)CO 240690a_100020644852_100000210174 [2,0,0,0,0,0|1,0,0]=3 38 B9R0.24 O=C(CO)NC[C@H](O)CO 527a_100020644852_100000210174 [2,0,0,0,0,0|1,0,0]=3 39 B9R0.42 CC(=O)N(C)CC(O)CO 240690a_100011216503_100015343762 [2,0,0,0,0,0|2,0,0]=4 40 B9R0.42 CC(=O)N(C)CC(O)CO 527a_100011216503_100103153847 [2,0,0,0,0,0|2,0,0]=4 41 B11R0.43 CN(CC(O)CO)C(=O)CCO 240690a_100011216503_100011216618 [1,1,0,0,0,0|2,0,0]=4 42 B11R0.43 COCC(=O)N(C)CC(O)CO 240690a_100011216503_100000210968 [1,1,0,0,0,0|2,0,0]=4 43 B11R0.43 COCC(=O)N(C)CC(O)CO 527a_100011216503_100000210968 [1,1,0,0,0,0|2,0,0]=4 44 B11R0.92 CN(CC(O)CO)C(=O)C(O)O 240690a_100011216503_100000233687 [1,1,0,0,0,0|2,0,0]=4 45 B11R0.92 C[C@@H](O)C(=O)N(C)CC(O)CO 240690a_100011216503_100000717761 [1,1,0,0,0,0|2,0,0]=4 46 B11R0.92 C[C@H](O)C(=O)N(C)CC(O)CO 240690a_100011216503_217856618621 [1,1,0,0,0,0|2,0,0]=4 47 B11R0.187 COCC(O)CN(C)C(=O)CO 240690a_100000739405_100000210174 [1,1,0,0,0,0|2,0,0]=4 48 B11R0.187 COCC(O)CN(C)C(=O)CO 527a_100000739405_100000210174 [1,1,0,0,0,0|2,0,0]=4 49 B11R0.187 O=C(CC(=O)C(O)CO)NCO 1458a_100011215603_100000185155 [1,1,0,0,0,0|0,0,2]=4 50 B13R0.137 CCC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO 1458a_100000059844_100000210202 [0,1,0,0,0,1|1,0,0]=3 51 B13R0.137 CNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO 240690a_100102657272_100000059844 [0,1,0,0,0,1|2,0,0]=4 52 B13R0.137 O=C(CF)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO 1458a_100000059844_100015361967 [0,1,0,0,0,1|1,0,0]=3 53 B13R0.736 O=C(CC(=O)[C@H](O)[C@H](O)CO)NCO 1458a_100015448053_100000185155 [0,1,0,0,0,1|0,0,2]=4 54 B11R1.226 O=C(CO)N1C[C@H]([C@H](C1)O)O 240690a_100015207562_100000210174 [1,0,0,1,0,0|2,0,0]=4 55 B11R1.226 O=C(CO)N1C[C@H]([C@H](C1)O)O 527a_100015207562_100000210174 [1,0,0,1,0,0|2,0,0]=4 56 B11R1.228 O=C(CO)N[C@H]1COC[C@@H]1O 240690a_100015191717_100000210174 [1,0,0,1,0,0|2,0,0]=4 57 B11R1.228 O=C(CO)N[C@H]1COC[C@@H]1O 527a_100015191717_100000210174 [1,0,0,1,0,0|2,0,0]=4 58 B13R1.426 CN[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O 2230a_100159261494_200000210301 [0,1,0,1,0,0|1,0,1]=4 59 B13R1.426 [13CH3]N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O 2230a_100159261494_200025704644 [0,1,0,1,0,0|1,0,1]=4 60 B11R0.120 CCC(=O)C(C)NC[C@H](O)CO 2230a_100020644852_100000742827 [1,0,0,0,0,1|2,0,0]=4 61 B11R0.120 CCC(=O)C(C)SCC(O)CO 62a_100000742827_100011219619 [1,0,0,0,0,1|2,0,0]=4 62 B11R0.120 CCC(=O)C(C)SCC(O)CO 62a_100011219619_100000742827 [1,0,0,0,0,1|2,0,0]=4 63 B11R0.120 CCC(=O)C(C)SC[C@@H](O)CO 62a_100000742827_100009815848 [1,0,0,0,0,1|2,0,0]=4 64 B11R0.120 CCC(=O)C(C)SC[C@@H](O)CO 62a_100009815848_100000742827 [1,0,0,0,0,1|2,0,0]=4 65 B8R0.2 CC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_200000210301 [3,0,0,0,0,0|0,0,0]=3 66 B8R0.2 [13CH3]C(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_200025704644 [3,0,0,0,0,0|0,0,0]=3 67 B8R0.3 CC(CCO)C(=O)CO 1458a_100000210174_100009893172 [3,0,0,0,0,0|1,0,0]=4 68 B8R0.3 CCCC(C)C(=O)CO 1458a_100000210174_100000766640 [3,0,0,0,0,0|1,0,0]=4 69 B8R0.3 CCC[C@H](O)C(=O)CC 1458a_100009822183_100000210202 [3,0,0,0,0,0|1,0,0]=4 70 B8R0.3 CCC[C@H](O)C(=O)CF 1458a_100009822183_100015361967 [3,0,0,0,0,0|1,0,0]=4 71 B8R0.8 CCCCC(O)C(=O)C 1458a_100000720857_200000210301 [3,0,0,0,0,0|1,0,0]=4 72 B8R0.8 CCCCC(O)C(=O)[13CH3] 1458a_100000720857_200025704644 [3,0,0,0,0,0|1,0,0]=4 73 B8R0.6 CCC(=O)CCCCO 1458a_100000210414_100000210776 [3,0,0,0,0,0|1,0,0]=4 74 B8R0.6 CCC(=O)CCCCO 1458a_100000695505_100000210202 [3,0,0,0,0,0|1,0,0]=4 75 B8R0.6 CCCCCC(=O)CO 1458a_100000210174_100000210326 [3,0,0,0,0,0|1,0,0]=4 76 B8R0.6 O=C(CF)CCCCO 1458a_100000695505_100015361967 [3,0,0,0,0,0|1,0,0]=4 77 B8R0.6 O=C(CO)CCCCF 1458a_100000210174_100000729493 [3,0,0,0,0,0|1,0,0]=4 78 B8R0.6 O=C(CO)CCCCO 1458a_100000210174_100000210776 [3,0,0,0,0,0|0,0,0]=3 79 B8R0.6 O=C(CO)NCCCO 240690a_100000182051_100000210174 [3,0,0,0,0,0|1,0,0]=4 80 B8R0.6 O=C(CO)NCCCO 527a_100000182051_100000210174 [3,0,0,0,0,0|1,0,0]=4 81 B8R0.19 CCC(=O)CC(O)CC 1458a_100000210414_100011218378 [3,0,0,0,0,0|1,0,0]=4 82 B8R0.19 CCC(=O)CC(O)CC 1458a_100011667805_100000210202 [3,0,0,0,0,0|1,0,0]=4 83 B8R0.19 CCC(C)CC(=O)CO 1458a_100000210174_100000748023 [3,0,0,0,0,0|1,0,0]=4 84 B8R0.19 CCC(O)CC(=O)CF 1458a_100011667805_100015361967 [3,0,0,0,0,0|1,0,0]=4 85 B8R0.19 CCC(O)CC(=O)CO 1458a_100000210174_100011218378 [3,0,0,0,0,0|0,0,0]=3 86 B8R0.19 CC[C@H](C)CC(=O)CO 1458a_100000210174_100009816398 [3,0,0,0,0,0|1,0,0]=4 87 B8R0.19 C[C@@H](CO)CC(=O)CO 1458a_100000210174_100000059175 [3,0,0,0,0,0|1,0,0]=4 88 B8R0.9 CC(=O)NC[C@H](O)CO 240690a_100020644852_100015343762 [3,0,0,0,0,0|1,0,0]=4 89 B8R0.9 CC(=O)NC[C@H](O)CO 527a_100020644852_100103153847 [3,0,0,0,0,0|1,0,0]=4 90 B8R0.9 CC(C)CCC(=O)CO 1458a_100000210174_100000210312 [3,0,0,0,0,0|1,0,0]=4 91 B8R0.9 CC(O)CCC(=O)CO 1458a_100000210174_100012276601 [3,0,0,0,0,0|0,0,0]=3 92 B8R0.9 CC(O)CNC(=O)CO 240690a_100000210904_100000210174 [3,0,0,0,0,0|1,0,0]=4 93 B8R0.9 CC(O)CNC(=O)CO 527a_100000210904_100000210174 [3,0,0,0,0,0|1,0,0]=4 94 B8R0.9 CCC(=O)CCC(C)O 1458a_100000210414_100012276601 [3,0,0,0,0,0|1,0,0]=4 95 B8R0.23 CC(=O)[C@@H](O)CC(C)C 1458a_100012027011_200000210301 [3,0,0,0,0,0|1,0,0]=4 96 B8R0.23 CC(C)C[C@H](O)C(=O)[13CH3] 1458a_100012027011_200025704644 [3,0,0,0,0,0|1,0,0]=4 97 B10R0.19 CCCCC(O)C(=O)CCO 1458a_100000720857_100000211926 [2,1,0,0,0,0|1,0,0]=4 98 B10R0.82 C[C@@H](O)C(=O)NC[C@H](O)CO 240690a_100020644852_100000717761 [2,1,0,0,0,0|1,0,0]=4 99 B10R0.82 C[C@H](O)C(=O)NC[C@H](O)CO 240690a_100020644852_217856618621 [2,1,0,0,0,0|1,0,0]=4 100 B10R0.82 O=C(NC[C@H](O)CO)C(O)O 240690a_100020644852_100000233687 [2,1,0,0,0,0|1,0,0]=4 101 B10R0.108 COCC(=O)NCC(O)CO 34a_100138415774_200012027429 [2,1,0,0,0,0|1,0,0]=4 102 B10R0.108 COCC(=O)NC[C@H](O)CO 240690a_100020644852_100000210968 [2,1,0,0,0,0|1,0,0]=4 103 B10R0.108 COCC(=O)NC[C@H](O)CO 527a_100020644852_100000210968 [2,1,0,0,0,0|1,0,0]=4 104 B10R0.108 COCC(O)CNC(=O)CO 240690a_100000756049_100000210174 [2,1,0,0,0,0|1,0,0]=4 105 B10R0.108 COCC(O)CNC(=O)CO 527a_100000756049_100000210174 [2,1,0,0,0,0|1,0,0]=4 106 B10R0.108 O=C(CCO)NC[C@H](O)CO 240690a_100020644852_100011216618 [2,1,0,0,0,0|1,0,0]=4 107 B10R0.53 C[C@@H](O)[C@@H](CO)NC(=O)CO 240690a_100015196842_100000210174 [2,1,0,0,0,0|1,0,0]=4 108 B10R0.53 C[C@@H](O)[C@@H](CO)NC(=O)CO 527a_100015196842_100000210174 [2,1,0,0,0,0|1,0,0]=4 109 B14R0.170 CC(C)C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO 1458a_100000059844_100000210206 [0,2,0,0,0,1|1,0,0]=4 110 B14R0.1153 C#CCC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO 1458a_100000059844_100000184674 [0,2,0,0,0,1|1,0,0]=4 111 B14R0.1153 C=CCC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO 1458a_100000059844_100000210623 [0,2,0,0,0,1|1,0,0]=4 112 B14R0.1153 CCCC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO 1458a_100000059844_100000210303 [0,2,0,0,0,1|1,0,0]=4 113 B14R0.1153 CCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO 240690a_100015525214_100000059844 [0,2,0,0,0,1|1,0,0]=4 114 B14R0.1153 N#CCC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO 1458a_100000059844_100011214920 [0,2,0,0,0,1|1,0,0]=4 115 B14R0.1153 O=C(CCF)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO 1458a_100000059844_100011217306 [0,2,0,0,0,1|1,0,0]=4 116 B14R0.1153 O=C(CCO)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO 1458a_100000059844_100000211926 [0,2,0,0,0,1|0,0,0]=3 117 B10R1.15 O=C(CO)C1CCCOC1 1458a_100000210174_100000693364 [2,0,0,1,0,0|1,0,0]=4 118 B10R1.27 O=C(CO)CC1CCCO1 1458a_100000210174_100000203698 [2,0,0,1,0,0|1,0,0]=4 119 B10R1.27 O=C(CO)CC1CCOC1 1458a_100000210174_100000702531 [2,0,0,1,0,0|1,0,0]=4 120 B12R1.367 O=C(CO)N1CC[C@H]([C@H](C1)O)O 240690a_100000690696_100000210174 [1,0,0,1,0,1|1,0,0]=4 121 B12R1.367 O=C(CO)N1CC[C@H]([C@H](C1)O)O 527a_100000690696_100000210174 [1,0,0,1,0,1|1,0,0]=4 122 B14R1.2876 CCC(=O)C1O[C@H]([C@H](C([C@@H]1O)O)O)O 1458a_106744596647_100000210202 [0,0,0,1,0,2|1,0,0]=4 123 B14R1.2876 O=C(CF)C1O[C@H]([C@H](C([C@@H]1O)O)O)O 1458a_106744596647_100015361967 [0,0,0,1,0,2|1,0,0]=4 124 B14R1.3500 O=C(CO)N[C@@H]1C[C@@H]([C@H]([C@H]1O)O)CO 240690a_100015190309_100000210174 [0,0,0,1,0,2|1,0,0]=4 125 B14R1.19496 CCC(=O)[C@@]1(C[C@H]([C@H]([C@@H](C1)O)O)O)O 1458a_100000725955_100000210202 [0,1,0,1,0,1|1,0,0]=4 126 B14R1.19496 O=C(CF)[C@@]1(C[C@H]([C@H]([C@@H](C1)O)O)O)O 1458a_100000725955_100015361967 [0,1,0,1,0,1|1,0,0]=4 127 B10R0.59 CC(CO)CCNC(=O)CO 240690a_106354213184_100000210174 [2,0,0,0,0,1|1,0,0]=4 128 B10R0.59 CC(CO)CCNC(=O)CO 527a_106354213184_100000210174 [2,0,0,0,0,1|1,0,0]=4 129 B10R0.59 CCC(=O)COCC(O)CO 34a_100000725409_100011219619 [2,0,0,0,0,1|1,0,0]=4 130 B10R0.59 CCC(=O)COC[C@@H](O)CO 34a_100000725409_100009815848 [2,0,0,0,0,1|1,0,0]=4 131 B10R0.59 CCC(=O)CSCC(O)CO 62a_100000747405_100011219619 [2,0,0,0,0,1|1,0,0]=4 132 B10R0.59 CCC(=O)CSCC(O)CO 62a_100011219619_100000747405 [2,0,0,0,0,1|1,0,0]=4 133 B10R0.59 CCC(=O)CSC[C@@H](O)CO 62a_100000747405_100009815848 [2,0,0,0,0,1|1,0,0]=4 134 B10R0.59 CCC(=O)CSC[C@@H](O)CO 62a_100009815848_100000747405 [2,0,0,0,0,1|1,0,0]=4