0 B11R0.65 C=C[C@@H](CO)NC(=O)C(O)CO 240690a_100016989147_100011215603 [0,0,1,0,0,0|2,0,1]=4 1 B11R0.65 CCC(C)C(=O)NC(CO)CO 240690a_100000759517_100011192722 [0,0,1,0,0,0|3,0,0]=4 2 B11R0.65 CCC(C)C(=O)NC(CO)CO 527a_100000759517_100011192722 [0,0,1,0,0,0|3,0,0]=4 3 B11R0.65 CCC(CC)CC(=O)C(O)CO 1458a_100011215603_100011215472 [0,0,1,0,0,0|3,0,0]=4 4 B11R0.65 CCC(CC)NC(=O)C(O)CO 240690a_100000199018_100011215603 [0,0,1,0,0,0|3,0,0]=4 5 B11R0.65 CCC(O)C(=O)NC(CO)CO 240690a_100000759517_100011196387 [0,0,1,0,0,0|2,0,0]=3 6 B11R0.65 CCC(O)C(=O)N[C@@H](CC)CO 240690a_100000709445_100011196387 [0,0,1,0,0,0|3,0,0]=4 7 B11R0.65 CC[C@@H](CO)NC(=O)C(O)CO 240690a_100000709445_100011215603 [0,0,1,0,0,0|2,0,0]=3 8 B11R0.73 C#CCCC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_100000753159 [0,0,1,0,0,0|2,0,1]=4 9 B11R0.73 C#CCNC(=O)[C@H](O)[C@H](O)CO 240690a_100000212058_100015448053 [0,0,1,0,0,0|2,0,1]=4 10 B11R0.73 C=CCCC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_100000754431 [0,0,1,0,0,0|2,0,1]=4 11 B11R0.73 C=CCNC(=O)[C@H](O)[C@H](O)CO 240690a_100020586998_100015448053 [0,0,1,0,0,0|2,0,1]=4 12 B11R0.73 CCCCC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_100000210211 [0,0,1,0,0,0|2,0,0]=3 13 B11R0.73 CCCNC(=O)[C@H](O)[C@H](O)CO 240690a_100020643023_100015448053 [0,0,1,0,0,0|2,0,0]=3 14 B11R0.73 COCCC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_100000233755 [0,0,1,0,0,0|3,0,0]=4 15 B11R0.73 CSCCC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_100000751147 [0,0,1,0,0,0|3,0,0]=4 16 B11R0.73 N#CCCC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_100011215226 [0,0,1,0,0,0|2,0,1]=4 17 B11R0.73 O=C(CCCF)[C@H](O)[C@H](O)CO 1458a_100015448053_100011934791 [0,0,1,0,0,0|2,0,0]=3 18 B11R0.73 O=C(CCCO)[C@H](O)[C@H](O)CO 1458a_100015448053_100011215043 [0,0,1,0,0,0|1,0,0]=2 19 B11R0.73 O=C(NCCF)[C@H](O)[C@H](O)CO 240690a_100000724931_100015448053 [0,0,1,0,0,0|2,0,0]=3 20 B11R0.88 CC[C@H](C)[C@@H](CO)NC(=O)CO 240690a_100011827617_100000210174 [0,0,1,0,0,0|3,0,0]=4 21 B11R0.88 CC[C@H](C)[C@@H](CO)NC(=O)CO 527a_100011827617_100000210174 [0,0,1,0,0,0|3,0,0]=4 22 B10R0.29 CCC[C@@H](CO)NC(=O)CO 240690a_100000732646_100000210174 [1,0,1,0,0,0|2,0,0]=4 23 B10R0.29 CCC[C@@H](CO)NC(=O)CO 527a_100000732646_100000210174 [1,0,1,0,0,0|2,0,0]=4 24 B10R0.35 C#CCC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_100000184674 [1,0,1,0,0,0|1,0,1]=4 25 B10R0.35 C=CCC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_100000210623 [1,0,1,0,0,0|1,0,1]=4 26 B10R0.35 CCCC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_100000210303 [1,0,1,0,0,0|1,0,0]=3 27 B10R0.35 CCNC(=O)[C@H](O)[C@H](O)CO 240690a_100015525214_100015448053 [1,0,1,0,0,0|1,0,0]=3 28 B10R0.35 N#CCC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_100011214920 [1,0,1,0,0,0|1,0,1]=4 29 B10R0.35 O=C(CCF)[C@H](O)[C@H](O)CO 1458a_100015448053_100011217306 [1,0,1,0,0,0|1,0,0]=3 30 B10R0.35 O=C(CCO)[C@H](O)[C@H](O)CO 1458a_100015448053_100000211926 [1,0,1,0,0,0|0,0,0]=2 31 B10R0.81 CC(C)[C@@H](O)C(=O)CCCO 1458a_100000691806_100011215043 [1,0,1,0,0,0|2,0,0]=4 32 B10R0.81 CC(C)[C@@H](O)C(=O)NCCO 240690a_100000210304_100000691806 [1,0,1,0,0,0|2,0,0]=4 33 B10R0.34 CCCC(=O)NC(CO)CO 240690a_100000759517_100000211992 [1,0,1,0,0,0|2,0,0]=4 34 B10R0.34 CCCC(=O)NC(CO)CO 527a_100000759517_100000211992 [1,0,1,0,0,0|2,0,0]=4 35 B10R0.34 CC[C@@H](CO)NC(=O)CCO 240690a_100000709445_100011216618 [1,0,1,0,0,0|2,0,0]=4 36 B10R0.34 O=C(CCO)NC(CO)CO 240690a_100000759517_100011216618 [1,0,1,0,0,0|1,0,0]=3 37 B10R0.46 CCC(C)CC(=O)C(O)CO 1458a_100011215603_100000748023 [1,0,1,0,0,0|2,0,0]=4 38 B10R0.46 CCC(C)NC(=O)C(O)CO 240690a_100000209981_100011215603 [1,0,1,0,0,0|2,0,0]=4 39 B10R0.46 CCC(O)C(=O)C[C@@H](C)CO 1458a_100011196387_100000059175 [1,0,1,0,0,0|2,0,0]=4 40 B10R0.46 CCC(O)C(=O)N[C@H](C)CO 240690a_100000737577_100011196387 [1,0,1,0,0,0|2,0,0]=4 41 B10R0.46 CCC(O)CC(=O)C(O)CO 1458a_100011215603_100011218378 [1,0,1,0,0,0|2,0,0]=4 42 B10R0.46 CC[C@H](C)CC(=O)C(O)CO 1458a_100011215603_100009816398 [1,0,1,0,0,0|2,0,0]=4 43 B10R0.46 C[C@@H](CO)CC(=O)C(O)CO 1458a_100011215603_100000059175 [1,0,1,0,0,0|1,0,0]=3 44 B10R0.46 C[C@H](CF)NC(=O)C(O)CO 240690a_100102880703_100011215603 [1,0,1,0,0,0|2,0,0]=4 45 B10R0.46 C[C@H](CO)NC(=O)C(O)CO 240690a_100000737577_100011215603 [1,0,1,0,0,0|1,0,0]=3 46 B10R0.72 CC(C)C(=O)NC(CO)CO 240690a_100000759517_100000210198 [1,0,1,0,0,0|2,0,0]=4 47 B10R0.72 CC(C)C(=O)NC(CO)CO 527a_100000759517_100000210198 [1,0,1,0,0,0|2,0,0]=4 48 B10R0.72 CC(F)C(=O)NC(CO)CO 240690a_100000759517_100000062450 [1,0,1,0,0,0|2,0,0]=4 49 B10R0.72 CC(F)C(=O)NC(CO)CO 527a_100000759517_100000062450 [1,0,1,0,0,0|2,0,0]=4 50 B10R0.72 CC[C@@H](CO)NC(=O)C(O)O 240690a_100000709445_100000233687 [1,0,1,0,0,0|2,0,0]=4 51 B10R0.72 CC[C@@H](CO)NC(=O)[C@@H](C)O 240690a_100000709445_100000717761 [1,0,1,0,0,0|2,0,0]=4 52 B10R0.72 CC[C@@H](CO)NC(=O)[C@H](C)O 240690a_100000709445_217856618621 [1,0,1,0,0,0|2,0,0]=4 53 B10R0.72 C[C@@H](O)C(=O)NC(CO)CO 240690a_100000759517_100000717761 [1,0,1,0,0,0|1,0,0]=3 54 B10R0.72 C[C@H](O)C(=O)NC(CO)CO 240690a_100000759517_217856618621 [1,0,1,0,0,0|1,0,0]=3 55 B10R0.18 CCC(O)CC(=O)CCCO 1458a_100011667805_100011215043 [1,0,1,0,0,0|2,0,0]=4 56 B10R0.18 CCC(O)CC(=O)NCCO 240690a_100000210304_100011667805 [1,0,1,0,0,0|2,0,0]=4 57 B10R0.19 CCC[C@H](O)C(=O)CCCO 1458a_100009822183_100011215043 [1,0,1,0,0,0|2,0,0]=4 58 B10R0.19 CCC[C@H](O)C(=O)NCCO 240690a_100000210304_100009822183 [1,0,1,0,0,0|2,0,0]=4 59 B10R0.53 CC(C)[C@H](CO)NC(=O)CO 240690a_100011830312_100000210174 [1,0,1,0,0,0|2,0,0]=4 60 B10R0.53 CC(C)[C@H](CO)NC(=O)CO 527a_100011830312_100000210174 [1,0,1,0,0,0|2,0,0]=4 61 B10R0.53 CCC(=O)N[C@H](CO)[C@@H](C)O 240690a_100015196842_100000210414 [1,0,1,0,0,0|2,0,0]=4 62 B10R0.53 CCC(=O)N[C@H](CO)[C@@H](C)O 527a_100015196842_100000210414 [1,0,1,0,0,0|2,0,0]=4 63 B10R0.53 CC[C@H](NC(=O)CO)[C@@H](C)O 240690a_100161114882_100000210174 [1,0,1,0,0,0|2,0,0]=4 64 B10R0.53 CC[C@H](NC(=O)CO)[C@@H](C)O 527a_100161114882_100000210174 [1,0,1,0,0,0|2,0,0]=4 65 B10R0.53 C[C@@H](O)[C@@H](CO)NC(=O)CO 240690a_100015196842_100000210174 [1,0,1,0,0,0|1,0,0]=3 66 B10R0.53 C[C@@H](O)[C@@H](CO)NC(=O)CO 527a_100015196842_100000210174 [1,0,1,0,0,0|1,0,0]=3 67 B12R0.84 CC(C)[C@H](CO)NC(=O)C(O)CO 240690a_100011830312_100011215603 [0,1,1,0,0,0|2,0,0]=4 68 B12R0.84 CCC(O)C(=O)N[C@H](CO)[C@@H](C)O 240690a_100015196842_100011196387 [0,1,1,0,0,0|2,0,0]=4 69 B12R0.84 CC[C@H](NC(=O)C(O)CO)[C@@H](C)O 240690a_100161114882_100011215603 [0,1,1,0,0,0|2,0,0]=4 70 B12R0.195 CCC[C@H](O)C(=O)NC(CO)CO 240690a_100000759517_100009822183 [0,1,1,0,0,0|2,0,0]=4 71 B12R0.195 COCC(C)C(=O)NC(CO)CO 240690a_100000759517_100000751857 [0,1,1,0,0,0|2,0,0]=4 72 B12R0.195 COCC(C)C(=O)NC(CO)CO 527a_100000759517_100000751857 [0,1,1,0,0,0|2,0,0]=4 73 B12R0.306 C=CC[C@H](CO)NC(=O)C(O)CO 240690a_100020615467_100011215603 [0,1,1,0,0,0|2,0,0]=4 74 B12R0.306 CCC(COC)NC(=O)C(O)CO 240690a_100000757820_100011215603 [0,1,1,0,0,0|2,0,0]=4 75 B12R0.306 CCC(O)C(=O)NC(CO)COC 240690a_100000724102_100011196387 [0,1,1,0,0,0|2,0,0]=4 76 B12R0.306 CCC[C@@H](CO)NC(=O)C(O)CO 240690a_100000732646_100011215603 [0,1,1,0,0,0|2,0,0]=4 77 B12R0.306 COCC(CO)NC(=O)C(O)CO 240690a_100000724102_100011215603 [0,1,1,0,0,0|1,0,0]=3 78 B12R0.448 CCC(C)(CO)NC(=O)C(O)CO 240690a_100000747662_100011215603 [0,1,1,0,0,0|2,0,0]=4 79 B12R0.448 CCC(O)C(=O)NC(C)(CO)CO 240690a_100000764395_100011196387 [0,1,1,0,0,0|2,0,0]=4 80 B12R0.546 CC(C)(CO)C(=O)NC(CO)CO 240690a_100000759517_100000749806 [0,1,1,0,0,0|2,0,0]=4 81 B12R0.546 CC(C)(CO)C(=O)NC(CO)CO 527a_100000759517_100000749806 [0,1,1,0,0,0|2,0,0]=4 82 B12R0.546 CCC(C)(O)C(=O)NC(CO)CO 240690a_100000759517_100011219770 [0,1,1,0,0,0|2,0,0]=4 83 B12R0.576 CCC(OC)C(=O)NC(CO)CO 240690a_100000759517_100000747056 [0,1,1,0,0,0|2,0,0]=4 84 B12R0.576 CCC(OC)C(=O)NC(CO)CO 527a_100000759517_100000747056 [0,1,1,0,0,0|2,0,0]=4 85 B12R0.623 CC(C)[C@@H](O)C(=O)NC(CO)CO 240690a_100000759517_100000691806 [0,1,1,0,0,0|2,0,0]=4 86 B12R0.61 CCC(C)CC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_100000748023 [0,1,1,0,0,0|2,0,0]=4 87 B12R0.61 CCC(C)NC(=O)[C@H](O)[C@H](O)CO 240690a_100000209981_100015448053 [0,1,1,0,0,0|2,0,0]=4 88 B12R0.61 CCC(O)CC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_100011218378 [0,1,1,0,0,0|2,0,0]=4 89 B12R0.61 CC[C@H](C)CC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_100009816398 [0,1,1,0,0,0|2,0,0]=4 90 B12R0.61 C[C@@H](CO)CC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_100000059175 [0,1,1,0,0,0|1,0,0]=3 91 B12R0.61 C[C@H](CF)NC(=O)[C@H](O)[C@H](O)CO 240690a_100102880703_100015448053 [0,1,1,0,0,0|2,0,0]=4 92 B12R0.88 CC(C)CCC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_100000210312 [0,1,1,0,0,0|2,0,0]=4 93 B12R0.88 CC(C)CNC(=O)[C@H](O)[C@H](O)CO 240690a_100000210953_100015448053 [0,1,1,0,0,0|2,0,0]=4 94 B12R0.88 CC(O)CCC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_100012276601 [0,1,1,0,0,0|1,0,0]=3 95 B12R0.88 O=C(NCC(F)F)[C@H](O)[C@H](O)CO 240690a_100000765723_100015448053 [0,1,1,0,0,0|2,0,0]=4 96 B12R0.110 C#CCCCC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_100000731252 [0,1,1,0,0,0|2,0,0]=4 97 B12R0.110 C#CCCNC(=O)[C@H](O)[C@H](O)CO 240690a_100000755551_100015448053 [0,1,1,0,0,0|2,0,0]=4 98 B12R0.110 C=CCCCC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_100000757094 [0,1,1,0,0,0|2,0,0]=4 99 B12R0.110 C=CCCNC(=O)[C@H](O)[C@H](O)CO 240690a_100015191253_100015448053 [0,1,1,0,0,0|2,0,0]=4 100 B12R0.110 CCCCCC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_100000210326 [0,1,1,0,0,0|2,0,0]=4 101 B12R0.110 CCCCNC(=O)[C@H](O)[C@H](O)CO 240690a_100000102301_100015448053 [0,1,1,0,0,0|2,0,0]=4 102 B12R0.110 CCOCCC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_100011215890 [0,1,1,0,0,0|2,0,0]=4 103 B12R0.110 CCSCCC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_100000757381 [0,1,1,0,0,0|2,0,0]=4 104 B12R0.110 COCCCC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_100000740836 [0,1,1,0,0,0|1,0,0]=3 105 B12R0.110 COCCNC(=O)[C@H](O)[C@H](O)CO 240690a_100000209980_100015448053 [0,1,1,0,0,0|1,0,0]=3 106 B12R0.110 CSCCNC(=O)[C@H](O)[C@H](O)CO 240690a_100020590264_100015448053 [0,1,1,0,0,0|1,1,0]=4 107 B12R0.110 N#CCCCC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_100000211468 [0,1,1,0,0,0|2,0,0]=4 108 B12R0.110 N#CCCNC(=O)[C@H](O)[C@H](O)CO 240690a_100000720768_100015448053 [0,1,1,0,0,0|2,0,0]=4 109 B12R0.110 O=C(CC#CCO)[C@H](O)[C@H](O)CO 1458a_100015448053_200000047223 [0,1,1,0,0,0|1,0,1]=4 110 B12R0.110 O=C(CCCCF)[C@H](O)[C@H](O)CO 1458a_100015448053_100000729493 [0,1,1,0,0,0|2,0,0]=4 111 B12R0.110 O=C(CCCCO)[C@H](O)[C@H](O)CO 1458a_100015448053_100000210776 [0,1,1,0,0,0|1,0,0]=3 112 B12R0.110 O=C(NCCCF)[C@H](O)[C@H](O)CO 240690a_100015189416_100015448053 [0,1,1,0,0,0|2,0,0]=4 113 B12R1.108 O=C(CC1CCOC1)C(O)CO 1458a_100011215603_100000702531 [0,0,1,1,0,0|2,0,0]=4 114 B12R1.108 O=C(N[C@@H]1CCOC1)C(O)CO 240690a_200015188469_100011215603 [0,0,1,1,0,0|2,0,0]=4 115 B12R1.108 O=C(N[C@H]1CCOC1)C(O)CO 240690a_100015188467_100011215603 [0,0,1,1,0,0|2,0,0]=4 116 B12R1.586 O=C(NC(CO)CO)C1CCO1 240690a_100000759517_100000089072 [0,0,1,1,0,0|2,0,0]=4 117 B12R1.586 O=C(NC(CO)CO)C1CCO1 527a_100000759517_100000089072 [0,0,1,1,0,0|2,0,0]=4 118 B12R1.586 O=C(NC(CO)CO)C1COC1 240690a_100000759517_100000758290 [0,0,1,1,0,0|2,0,0]=4 119 B12R1.586 O=C(NC(CO)CO)C1COC1 527a_100000759517_100000758290 [0,0,1,1,0,0|2,0,0]=4 120 B12R1.587 O=C(NC(CO)CO)C1(CC1)O 240690a_100000759517_100000241761 [0,0,1,1,0,0|2,0,0]=4 121 B12R1.3698 CCC1(CO1)CC(=O)C(O)CO 1458a_100011215603_200000139556 [0,0,1,1,0,0|2,0,0]=4 122 B12R1.3698 O=C(NC1(CC1)CO)C(O)CO 240690a_100000692850_100011215603 [0,0,1,1,0,0|2,0,0]=4 123 B12R1.635 O=C(CC1CC1)[C@H](O)[C@H](O)CO 1458a_100015448053_100000742324 [0,0,1,1,0,0|2,0,0]=4 124 B12R1.635 O=C(CC1CO1)[C@H](O)[C@H](O)CO 1458a_100015448053_100011216344 [0,0,1,1,0,0|1,0,0]=3 125 B12R1.635 O=C(CC1CS1)[C@H](O)[C@H](O)CO 1458a_100015448053_100000031435 [0,0,1,1,0,0|1,1,0]=4 126 B12R1.635 O=C(C[C@@H]1CO1)[C@H](O)[C@H](O)CO 1458a_100015448053_100000745022 [0,0,1,1,0,0|1,0,0]=3 127 B12R1.635 O=C(NC1CC1)[C@H](O)[C@H](O)CO 240690a_100000212008_100015448053 [0,0,1,1,0,0|2,0,0]=4 128 B12R1.371 O=C(CO)N[C@@H]1CCOC[C@@H]1O 240690a_100016994285_100000210174 [0,0,1,1,0,0|2,0,0]=4 129 B12R1.371 O=C(CO)N[C@@H]1CCOC[C@@H]1O 527a_100016994285_100000210174 [0,0,1,1,0,0|2,0,0]=4 130 B12R1.371 O=C(CO)N[C@H]1COCC[C@@H]1O 240690a_100015739063_100000210174 [0,0,1,1,0,0|2,0,0]=4 131 B12R1.2667 O=C(CO)N[C@H](CO)C1COC1 240690a_217856628679_100000210174 [0,0,1,1,0,0|2,0,0]=4 132 B12R1.2667 O=C(CO)N[C@H](CO)C1COC1 527a_217856628679_100000210174 [0,0,1,1,0,0|2,0,0]=4 133 B12R0.60 CCC(O)CC(=O)NC(CO)CO 240690a_100000759517_100011667805 [0,0,1,0,0,1|2,0,0]=4