0 B10R0.56 CC(C)C(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_100000210206 [0,0,0,0,0,0|1,0,2]=3 1 B10R0.56 CN(C)C(=O)[C@H](O)[C@H](O)CO 240690a_100102631434_100015448053 [0,0,0,0,0,0|2,0,2]=4 2 B9R0.6 CC(C)[C@@H](O)C(=O)CCO 1458a_100000691806_100000211926 [1,0,0,0,0,0|1,0,2]=4 3 B9R0.6 CC(CCO)C(=O)[C@@H](C)O 1458a_100000717761_100009893172 [1,0,0,0,0,0|1,0,2]=4 4 B9R0.6 CC(CCO)C(=O)[C@H](C)O 1458a_217856618621_100009893172 [1,0,0,0,0,0|1,0,2]=4 5 B9R0.23 CC(C)CC(=O)C(O)CO 1458a_100011215603_100000210624 [1,0,0,0,0,0|1,0,2]=4 6 B9R0.23 CC(CO)N(C)C[C@@H](C)O 2230a_100000693034_100009817552 [1,0,0,0,0,0|3,0,0]=4 7 B9R0.23 CC(CO)N(C)C[C@@H](C)O 269982a_100000693034_100009817552 [1,0,0,0,0,0|3,0,0]=4 8 B9R0.23 CC(O)CC(=O)C(O)CO 1458a_100011215603_100011218427 [1,0,0,0,0,0|0,0,2]=3 9 B9R0.23 CC(O)CN(C)C(C)CO 2230a_100000227577_100012180447 [1,0,0,0,0,0|3,0,0]=4 10 B9R0.23 CC(O)CN(C)C(C)CO 2230a_100000693034_100011218427 [1,0,0,0,0,0|3,0,0]=4 11 B9R0.23 CC(O)CN(C)C(C)CO 269982a_100000693034_100011218427 [1,0,0,0,0,0|3,0,0]=4 12 B9R0.23 CC(O)CN(C)[C@H](C)CO 269982a_100000227577_100016084084 [1,0,0,0,0,0|3,0,0]=4 13 B9R0.23 CCC(O)C(=O)CC(C)O 1458a_100011196387_100011218427 [1,0,0,0,0,0|1,0,2]=4 14 B9R0.27 CCC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_100000210202 [1,0,0,0,0,0|0,0,2]=3 15 B9R0.27 CCC(C)C(=O)C(O)CO 1458a_100011215603_100000758301 [1,0,0,0,0,0|1,0,2]=4 16 B9R0.27 CNC(=O)[C@H](O)[C@H](O)CO 240690a_100102657272_100015448053 [1,0,0,0,0,0|1,0,2]=4 17 B9R0.27 O=C(CF)[C@H](O)[C@H](O)CO 1458a_100015448053_100015361967 [1,0,0,0,0,0|1,0,2]=4 18 B9R0.42 CC(C)N(C)CC(O)CO 2230a_100000702902_200000210301 [1,0,0,0,0,0|3,0,0]=4 19 B9R0.42 CC(C)N(C)CC(O)CO 2230a_100011216503_100000210206 [1,0,0,0,0,0|3,0,0]=4 20 B9R0.42 CC(C)N(C)CC(O)CO 269982a_100000702902_200000210301 [1,0,0,0,0,0|3,0,0]=4 21 B9R0.42 CC(C)N(C)CC(O)CO 269982a_100011216503_100000210206 [1,0,0,0,0,0|3,0,0]=4 22 B9R0.42 CC(C)N([13CH3])CC(O)CO 2230a_100000702902_200025704644 [1,0,0,0,0,0|3,0,0]=4 23 B9R0.42 CC(C)N([13CH3])CC(O)CO 269982a_100000702902_200025704644 [1,0,0,0,0,0|3,0,0]=4 24 B9R0.42 CCC(O)CC(=O)[C@@H](C)O 1458a_100000717761_100011218378 [1,0,0,0,0,0|1,0,2]=4 25 B9R0.42 CCC(O)CC(=O)[C@H](C)O 1458a_217856618621_100011218378 [1,0,0,0,0,0|1,0,2]=4 26 B9R0.42 C[C@@H](CO)CC(=O)[C@@H](C)O 1458a_100000717761_100000059175 [1,0,0,0,0,0|1,0,2]=4 27 B9R0.42 C[C@@H](CO)CC(=O)[C@H](C)O 1458a_217856618621_100000059175 [1,0,0,0,0,0|1,0,2]=4 28 B11R0.66 C#CC(C)C(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_200000035995 [0,1,0,0,0,0|1,0,2]=4 29 B11R0.66 CC(C#N)C(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_100000703298 [0,1,0,0,0,0|1,0,2]=4 30 B11R0.66 CCC(C)C(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_100000758301 [0,1,0,0,0,0|1,0,2]=4 31 B11R0.63 CC(C)CC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_100000210624 [0,0,0,0,0,1|1,0,2]=4 32 B11R0.63 CC(C)NC(=O)[C@H](O)[C@H](O)CO 240690a_100138425928_100015448053 [0,0,0,0,0,1|1,0,2]=4 33 B11R0.63 CC(O)CC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_100011218427 [0,0,0,0,0,1|0,0,2]=3 34 B8R0.2 CC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_200000210301 [2,0,0,0,0,0|0,0,2]=4 35 B8R0.2 [13CH3]C(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_200025704644 [2,0,0,0,0,0|0,0,2]=4 36 B8R0.3 CCC(O)C(=O)CCO 1458a_100011196387_100000211926 [2,0,0,0,0,0|0,0,2]=4 37 B8R0.3 CCCC(=O)C(O)CO 1458a_100011215603_100000210303 [2,0,0,0,0,0|0,0,2]=4 38 B8R0.3 O=C(CCO)C(O)CO 1458a_100011215603_100000211926 [2,0,0,0,0,0|0,0,2]=4 39 B8R0.5 CC(O)CC(=O)CCO 1458a_100011216618_100011218427 [2,0,0,0,0,0|0,0,2]=4 40 B8R0.5 CC(O)CN(C)CCO 2230a_100000210263_100011218427 [2,0,0,0,0,0|2,0,0]=4 41 B8R0.5 CC(O)CN(C)CCO 2230a_100000227577_100000211926 [2,0,0,0,0,0|2,0,0]=4 42 B8R0.5 CC(O)CN(C)CCO 2230a_100000731851_200000210301 [2,0,0,0,0,0|2,0,0]=4 43 B8R0.5 CC(O)CN(C)CCO 269982a_100000210263_100011218427 [2,0,0,0,0,0|2,0,0]=4 44 B8R0.5 CC(O)CN(C)CCO 269982a_100000227577_100000211926 [2,0,0,0,0,0|2,0,0]=4 45 B8R0.5 CC(O)CN(C)CCO 269982a_100000731851_200000210301 [2,0,0,0,0,0|2,0,0]=4 46 B8R0.5 CC(O)CN([13CH3])CCO 2230a_100000731851_200025704644 [2,0,0,0,0,0|2,0,0]=4 47 B8R0.5 CC(O)CN([13CH3])CCO 269982a_100000731851_200025704644 [2,0,0,0,0,0|2,0,0]=4 48 B8R0.5 C[C@@H](O)CC(=O)CCO 1458a_100011933948_100000211926 [2,0,0,0,0,0|0,0,2]=4 49 B8R0.5 C[C@@H](O)CN(C)CCO 2230a_100000210263_100009817552 [2,0,0,0,0,0|2,0,0]=4 50 B8R0.5 C[C@@H](O)CN(C)CCO 269982a_100000210263_100009817552 [2,0,0,0,0,0|2,0,0]=4 51 B8R0.8 C[C@@H](O)C(=O)CCCO 1458a_100000717761_100011215043 [2,0,0,0,0,0|0,0,2]=4 52 B8R0.8 C[C@H](O)C(=O)CCCO 1458a_217856618621_100011215043 [2,0,0,0,0,0|0,0,2]=4 53 B8R0.9 CC(C)NCC(O)CO 2230a_100138425928_100011219619 [2,0,0,0,0,0|2,0,0]=4 54 B8R0.9 CC(C)NCC(O)CO 34a_100138425928_100011219619 [2,0,0,0,0,0|2,0,0]=4 55 B8R0.9 CC(C)NC[C@@H](O)CO 2230a_100138425928_100009815848 [2,0,0,0,0,0|2,0,0]=4 56 B8R0.9 CC(C)NC[C@@H](O)CO 34a_100138425928_100009815848 [2,0,0,0,0,0|2,0,0]=4 57 B8R0.9 CC(C)NC[C@H](O)CO 2230a_100020644852_100000210206 [2,0,0,0,0,0|2,0,0]=4 58 B8R0.9 CC(C)OCC(O)CO 34a_100000212225_100011219619 [2,0,0,0,0,0|2,0,0]=4 59 B8R0.9 CC(C)OC[C@@H](O)CO 34a_100000212225_100009815848 [2,0,0,0,0,0|2,0,0]=4 60 B8R0.9 CC(C)SCC(O)CO 62a_100000210206_100011219619 [2,0,0,0,0,0|2,0,0]=4 61 B8R0.9 CC(C)SCC(O)CO 62a_100011219619_100000210206 [2,0,0,0,0,0|2,0,0]=4 62 B8R0.9 CC(C)SC[C@@H](O)CO 62a_100000210206_100009815848 [2,0,0,0,0,0|2,0,0]=4 63 B8R0.9 CC(C)SC[C@@H](O)CO 62a_100009815848_100000210206 [2,0,0,0,0,0|2,0,0]=4 64 B8R0.9 CC(CO)SC[C@@H](C)O 62a_100012180447_100009817552 [2,0,0,0,0,0|2,0,0]=4 65 B8R0.9 CC(O)CCC(=O)CO 1458a_100000210174_100012276601 [2,0,0,0,0,0|0,0,2]=4 66 B8R0.9 CC(O)CNC(C)CO 2230a_100000210904_100012180447 [2,0,0,0,0,0|2,0,0]=4 67 B8R0.9 CC(O)CNC(C)CO 34a_100000210904_100012180447 [2,0,0,0,0,0|2,0,0]=4 68 B8R0.9 CC(O)CN[C@H](C)CO 2230a_100000737577_100011218427 [2,0,0,0,0,0|2,0,0]=4 69 B8R0.9 CC(O)CSC(C)CO 62a_100012180447_100011218427 [2,0,0,0,0,0|2,0,0]=4 70 B8R0.9 CC(O)CS[C@H](C)CO 62a_100011218427_100016084084 [2,0,0,0,0,0|2,0,0]=4 71 B8R0.9 CC(O)CS[C@H](C)CO 62a_100016084084_100011218427 [2,0,0,0,0,0|2,0,0]=4 72 B8R0.9 C[C@H](CO)NC[C@@H](C)O 2230a_100000737577_100009817552 [2,0,0,0,0,0|2,0,0]=4 73 B8R0.9 C[C@H](CO)SC[C@@H](C)O 62a_100009817552_100016084084 [2,0,0,0,0,0|2,0,0]=4 74 B8R0.9 C[C@H](CO)SC[C@@H](C)O 62a_100016084084_100009817552 [2,0,0,0,0,0|2,0,0]=4 75 B8R0.23 CC(O)CC(=O)C(O)O 1458a_100000233687_100011218427 [2,0,0,0,0,0|0,0,2]=4 76 B8R0.23 CC(O)CC(=O)[C@@H](C)O 1458a_100000717761_100011218427 [2,0,0,0,0,0|0,0,2]=4 77 B8R0.23 CC(O)CC(=O)[C@H](C)O 1458a_217856618621_100011218427 [2,0,0,0,0,0|0,0,2]=4 78 B8R0.19 CCC(O)CC(=O)CO 1458a_100000210174_100011218378 [2,0,0,0,0,0|0,0,2]=4 79 B8R0.19 CCN(C)CC(O)CO 2230a_100000225621_100011219619 [2,0,0,0,0,0|2,0,0]=4 80 B8R0.19 CCN(C)CC(O)CO 2230a_100011216503_100000210202 [2,0,0,0,0,0|2,0,0]=4 81 B8R0.19 CCN(C)CC(O)CO 269982a_100011216503_100000204670 [2,0,0,0,0,0|2,0,0]=4 82 B8R0.19 CCN(C)C[C@@H](O)CO 2230a_100000225621_100009815848 [2,0,0,0,0,0|2,0,0]=4 83 B10R0.35 O=C(CCO)[C@H](O)[C@H](O)CO 1458a_100015448053_100000211926 [1,1,0,0,0,0|0,0,2]=4 84 B10R0.46 CCC(O)CC(=O)C(O)CO 1458a_100011215603_100011218378 [1,1,0,0,0,0|0,0,2]=4 85 B10R0.46 C[C@@H](CO)CC(=O)C(O)CO 1458a_100011215603_100000059175 [1,1,0,0,0,0|0,0,2]=4 86 B10R0.53 CC(CO)N[C@H](CO)[C@@H](C)O 2230a_100015196842_100012180447 [1,1,0,0,0,0|2,0,0]=4 87 B10R0.53 CC(CO)N[C@H](CO)[C@@H](C)O 34a_100015196842_100012180447 [1,1,0,0,0,0|2,0,0]=4 88 B12R0.61 CCC(O)CC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_100011218378 [0,1,0,0,0,1|0,0,2]=4 89 B12R0.61 C[C@@H](CO)CC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_100000059175 [0,1,0,0,0,1|0,0,2]=4 90 B12R0.196 CC(CCO)C(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_100009893172 [0,2,0,0,0,0|0,0,2]=4 91 B12R0.196 COCC(C)C(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_100000765312 [0,2,0,0,0,0|0,0,2]=4 92 B10R1.184 O=C(CC1CO1)C(O)CO 1458a_100011215603_100011216344 [1,0,0,1,0,0|0,0,2]=4 93 B10R1.184 O=C(C[C@@H]1CO1)C(O)CO 1458a_100011215603_100000745022 [1,0,0,1,0,0|0,0,2]=4 94 B12R1.635 O=C(CC1CO1)[C@H](O)[C@H](O)CO 1458a_100015448053_100011216344 [0,0,0,1,0,1|0,0,2]=4 95 B12R1.635 O=C(C[C@@H]1CO1)[C@H](O)[C@H](O)CO 1458a_100015448053_100000745022 [0,0,0,1,0,1|0,0,2]=4 96 B12R1.633 O=C(C1COC1)[C@H](O)[C@H](O)CO 1458a_100015448053_100000687716 [0,1,0,1,0,0|0,0,2]=4 97 B12R1.98 CN1C[C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O 2230a_100011995873_200000210301 [0,1,0,1,0,0|1,0,0]=3 98 B12R1.98 CN1C[C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O 269982a_100011995873_200000210301 [0,1,0,1,0,0|1,0,0]=3 99 B12R1.98 [13CH3]N1C[C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O 2230a_100011995873_200025704644 [0,1,0,1,0,0|1,0,0]=3 100 B12R1.98 [13CH3]N1C[C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O 269982a_100011995873_200025704644 [0,1,0,1,0,0|1,0,0]=3 101 B10R0.44 CC(O)CN(C)CC(O)CO 2230a_100000227577_100011219619 [1,0,0,0,0,1|2,0,0]=4 102 B10R0.44 CC(O)CN(C)CC(O)CO 2230a_100011216503_100011218427 [1,0,0,0,0,1|2,0,0]=4 103 B10R0.44 CC(O)CN(C)CC(O)CO 269982a_100011216503_100011218427 [1,0,0,0,0,1|2,0,0]=4 104 B10R0.44 CC(O)CN(C)C[C@@H](O)CO 2230a_100000227577_100009815848 [1,0,0,0,0,1|2,0,0]=4 105 B10R0.44 C[C@@H](O)CN(C)CC(O)CO 2230a_100011216503_100009817552 [1,0,0,0,0,1|2,0,0]=4 106 B10R0.44 C[C@@H](O)CN(C)CC(O)CO 269982a_100011216503_100009817552 [1,0,0,0,0,1|2,0,0]=4 107 B10R0.57 CC(O)CCC(=O)C(O)CO 1458a_100011215603_100012276601 [1,0,0,0,0,1|0,0,2]=4 108 B10R0.57 CC(O)CNC(=O)C(O)CO 240690a_100000210904_100011215603 [1,0,0,0,0,1|0,0,2]=4 109 B10R0.82 CC(C)C(C)NCC(O)CO 2230a_100000211541_100011219619 [1,0,0,0,0,1|2,0,0]=4 110 B10R0.82 CC(C)C(C)NC[C@@H](O)CO 2230a_100000211541_100009815848 [1,0,0,0,0,1|2,0,0]=4 111 B10R0.82 CC(C)C(C)OCC(O)CO 7a_100000748068_100011219619 [1,0,0,0,0,1|2,0,0]=4 112 B10R0.82 CC(C)C(C)OC[C@@H](O)CO 7a_100000748068_100009815848 [1,0,0,0,0,1|2,0,0]=4 113 B10R0.82 CC(CO)NCC(O)C(C)C 2230a_100000759067_100012180447 [1,0,0,0,0,1|2,0,0]=4 114 B10R0.82 CC(CO)NCC(O)C(C)C 34a_100000759067_100012180447 [1,0,0,0,0,1|2,0,0]=4 115 B10R0.82 C[C@@H](O)C(=O)NC[C@H](O)CO 240690a_100020644852_100000717761 [1,0,0,0,0,1|0,0,2]=4 116 B10R0.82 C[C@H](O)C(=O)NC[C@H](O)CO 240690a_100020644852_217856618621 [1,0,0,0,0,1|0,0,2]=4 117 B12R0.88 CC(O)CCC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_100012276601 [0,0,0,0,0,2|0,0,2]=4