0 B12R0.694 CC(=O)CC(O)(CC(=O)O)C(=O)O CNP0003253.0 [0,0,0,0,0,0|1,0,0]=1 1 B12R0.694 CC(C)C[C@@](O)(CC(=O)O)C(=O)O CNP0178554.1 [0,0,0,0,0,0|2,0,1]=3 2 B12R0.694 O=C(O)CC(O)(CC(=O)O)C(=O)O CNP0149674.0 [0,0,0,0,0,0|0,0,0]=0 3 B12R0.694 O=C(O)CC(O)(CC(=O)O)C(=O)O CNP0488341.0 [0,0,0,0,0,0|0,0,0]=0 4 B12R0.694 O=C(O)CC(O)(CC(=O)O)C(=O)O CNP0503237.0 [0,0,0,0,0,0|0,0,0]=0 5 B12R0.694 O=C(O)CC(O)(CC(=O)O)C(=O)O CNP0526049.0 [0,0,0,0,0,0|0,0,0]=0 6 B12R0.694 O=C(O)CC(O)(CC(=O)O)C(=O)O CNP0533595.0 [0,0,0,0,0,0|0,0,0]=0 7 B12R0.694 O=C(O)CC(O)(CC(=O)O)C(=O)O CNP0534511.0 [0,0,0,0,0,0|0,0,0]=0 8 B12R0.694 O=C(O)CC(O)(CC(=O)O)C(=O)O CNP0560161.0 [0,0,0,0,0,0|0,0,0]=0 9 B12R0.694 O=C(O)CC(O)(CC(=O)O)C(=O)O CNP0574535.0 [0,0,0,0,0,0|0,0,0]=0 10 B12R0.694 O=C(O)CC(O)(CC(=O)O)C(=O)O CNP0584224.0 [0,0,0,0,0,0|0,0,0]=0 11 B12R0.694 O=C(O)C[C@](O)(CP(=O)O)C(=O)O CNP0209675.1 [0,0,0,0,0,0|1,0,0]=1 12 B12R0.694 O=C([O-])CC(O)(CC(=O)[O-])C(=O)O CNP0564440.0 [0,0,0,0,0,0|0,0,2]=2 13 B12R0.694 O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-] CNP0484941.0 [0,0,0,0,0,0|0,0,3]=3 14 B12R0.694 O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-] CNP0485410.0 [0,0,0,0,0,0|0,0,3]=3 15 B12R0.694 O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-] CNP0489688.0 [0,0,0,0,0,0|0,0,3]=3 16 B12R0.694 O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-] CNP0494179.0 [0,0,0,0,0,0|0,0,3]=3 17 B12R0.694 O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-] CNP0508150.0 [0,0,0,0,0,0|0,0,3]=3 18 B12R0.694 O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-] CNP0542073.0 [0,0,0,0,0,0|0,0,3]=3 19 B12R0.694 O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-] CNP0547701.0 [0,0,0,0,0,0|0,0,3]=3 20 B12R0.694 O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-] CNP0556042.0 [0,0,0,0,0,0|0,0,3]=3 21 B12R0.694 O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-] CNP0565311.0 [0,0,0,0,0,0|0,0,3]=3 22 B12R0.694 O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-] CNP0567860.0 [0,0,0,0,0,0|0,0,3]=3 23 B12R0.694 O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-] CNP0568932.0 [0,0,0,0,0,0|0,0,3]=3 24 B12R0.694 O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-] CNP0605584.0 [0,0,0,0,0,0|0,0,3]=3 25 B12R0.694 O=C([O-])CC([O-])(CC(=O)[O-])C(=O)[O-] CNP0549868.0 [0,0,0,0,0,0|0,0,4]=4 26 B11R0.32 C=C(C)C(CC(=O)O)CC(=O)O CNP0003254.0 [1,0,0,0,0,0|2,0,0]=3 27 B11R0.32 CC(=O)N[C@@H](CC(=O)N)C(=O)O CNP0316118.1 [1,0,0,0,0,0|3,0,0]=4 28 B11R0.32 CC(=O)N[C@@H](CC(=O)O)C(=O)O CNP0142168.1 [1,0,0,0,0,0|2,0,0]=3 29 B11R0.32 N=C(N)N[C@@H](CC(=O)O)C(=O)O CNP0170422.1 [1,0,0,0,0,0|3,0,0]=4 30 B11R0.32 NC(=N[C@@H](CC(=O)O)C(=O)O)N CNP0515387.1 [1,0,0,0,0,0|3,0,0]=4 31 B11R0.32 NC(=O)N[C@@H](CC(=O)O)C(=O)O CNP0396749.1 [1,0,0,0,0,0|2,0,0]=3 32 B11R0.32 O=C(Cl)CC(CC(=O)Cl)C(=O)Cl CNP0342067.0 [1,0,0,0,0,0|3,0,0]=4 33 B11R0.32 O=C(O)C=C(CC(=O)O)C(=O)O CNP0184949.0 [1,0,0,0,0,0|0,0,2]=3 34 B11R0.32 O=C(O)CC(CC(=O)O)C(=O)O CNP0346076.0 [1,0,0,0,0,0|0,0,0]=1 35 B11R0.181 CCCC(O)(CC(=O)O)C(=O)O CNP0034403.0 [1,0,0,0,0,0|1,0,1]=3 36 B13R0.904 COC(=O)C[C@@](O)(CC(=O)O)C(=O)O CNP0236196.1 [0,1,0,0,0,0|0,0,0]=1 37 B13R0.904 COC(=O)C[C@](O)(CC(=O)O)C(=O)O CNP0236196.2 [0,1,0,0,0,0|0,0,0]=1 38 B13R0.1101 COC(=O)C(O)(CC(=O)O)CC(=O)O CNP0307419.0 [0,1,0,0,0,0|0,0,0]=1 39 B13R0.1420 CC(C(=O)O)C(O)(CC(=O)O)C(=O)O CNP0073003.0 [0,1,0,0,0,0|0,0,0]=1 40 B13R0.1420 O=C(O)C[C@@](O)(C(=O)O)[C@@H](O)C(=O)O CNP0341234.4 [0,1,0,0,0,0|0,0,0]=1 41 B13R0.1420 O=C(O)C[C@@](O)(C(=O)O)[C@H](O)C(=O)O CNP0341234.2 [0,1,0,0,0,0|0,0,0]=1 42 B13R0.1420 O=C(O)C[C@](O)(C(=O)O)[C@@H](O)C(=O)O CNP0341234.3 [0,1,0,0,0,0|0,0,0]=1 43 B13R0.1420 O=C(O)C[C@](O)(C(=O)O)[C@H](O)C(=O)O CNP0341234.1 [0,1,0,0,0,0|0,0,0]=1 44 B13R0.1868 O=C(O)CC(CC(=O)O)(OO)C(=O)O CNP0555987.0 [0,1,0,0,0,0|0,0,0]=1 45 B13R1.888 O=C(O)C[C@@]1(CC(=O)OOC1=O)O CNP0076981.1 [0,0,0,1,0,0|0,0,0]=1 46 B13R1.2023 O=C(O)C[C@@]1(O[C@@H]1C(=O)O)C(=O)O CNP0458102.4 [0,0,0,1,0,0|0,0,0]=1 47 B13R1.2023 O=C(O)C[C@@]1(O[C@H]1C(=O)O)C(=O)O CNP0458102.1 [0,0,0,1,0,0|0,0,0]=1 48 B13R1.2023 O=C(O)C[C@]1(O[C@@H]1C(=O)O)C(=O)O CNP0458102.2 [0,0,0,1,0,0|0,0,0]=1 49 B13R1.2023 O=C(O)C[C@]1(O[C@H]1C(=O)O)C(=O)O CNP0458102.3 [0,0,0,1,0,0|0,0,0]=1 50 B13R1.3475 O=C1C[C@@]([C@H](O1)C(=O)O)(O)C(=O)O CNP0200998.2 [0,0,0,1,0,0|0,0,0]=1 51 B13R1.3475 O=C1C[C@]([C@@H](O1)C(=O)O)(O)C(=O)O CNP0200998.3 [0,0,0,1,0,0|0,0,0]=1 52 B13R1.3475 O=C1C[C@]([C@H](O1)C(=O)O)(O)C(=O)O CNP0200998.1 [0,0,0,1,0,0|0,0,0]=1 53 B11R0.427 CC(C)[C@@](O)(CC(=O)O)C(=O)O CNP0231884.1 [0,0,0,0,1,0|2,0,1]=4 54 B13R0.617 O=C(O)CC[C@@](O)(CC(=O)O)C(=O)O CNP0066404.1 [0,0,0,0,0,1|0,0,0]=1 55 B13R0.1419 O=C(O)CC(O)(CC(=O)O)CC(=O)O CNP0589125.0 [0,0,0,0,0,1|0,0,0]=1 56 B10R0.23 CCC[C@@H](CC(=O)O)C(=O)O CNP0297419.1 [2,0,0,0,0,0|1,0,1]=4 57 B10R0.23 N=CN[C@@H](CC(=O)O)C(=O)O CNP0474921.1 [2,0,0,0,0,0|2,0,0]=4 58 B10R0.23 O=CN[C@@H](CC(=O)O)C(=O)O CNP0207803.1 [2,0,0,0,0,0|1,0,0]=3 59 B10R0.70 CNC(CC(=O)O)CC(=O)O CNP0261205.0 [2,0,0,0,0,0|2,0,0]=4 60 B10R0.70 O=C(O)CC(CO)CC(=O)O CNP0157027.0 [2,0,0,0,0,0|0,0,1]=3 61 B10R0.119 CCC(O)(CC(=O)O)C(=O)O CNP0084088.0 [2,0,0,0,0,0|0,0,1]=3 62 B10R0.119 CC[C@@](C)(CC(=O)O)C(=O)O CNP0444199.1 [2,0,0,0,0,0|1,0,1]=4 63 B10R0.119 CC[C@](C)(CC(=O)O)C(=O)O CNP0444199.2 [2,0,0,0,0,0|1,0,1]=4 64 B10R0.119 O=C(O)CC(O)(CP)C(=O)O CNP0533279.0 [2,0,0,0,0,0|1,0,0]=3 65 B10R0.119 O=C(O)C[C@@](O)(CO)C(=O)O CNP0105674.1 [2,0,0,0,0,0|0,0,0]=2 66 B10R0.165 CC(C)(CC(=O)O)CC(=O)O CNP0057490.0 [2,0,0,0,0,0|1,0,1]=4 67 B10R0.165 CC(O)(CC(=O)O)CC(=O)O CNP0185364.0 [2,0,0,0,0,0|0,0,1]=3 68 B12R0.43 C=C(C(=O)O)[C@@H](CC(=O)O)C(=O)O CNP0249556.1 [1,1,0,0,0,0|0,0,1]=3 69 B12R0.43 C=C(C(=O)O)[C@H](CC(=O)O)C(=O)O CNP0249556.2 [1,1,0,0,0,0|0,0,1]=3 70 B12R0.43 CC(=C(CC(=O)O)C(=O)O)C(=O)O CNP0152616.0 [1,1,0,0,0,0|0,0,2]=4 71 B12R0.43 CC(=O)C(CC(=O)O)[C@H](N)C(=O)O CNP0581995.1 [1,1,0,0,0,0|1,0,0]=3 72 B12R0.43 N[C@@H](C(=O)O)[C@@H](CC(=O)O)C(=O)O CNP0189537.1 [1,1,0,0,0,0|0,0,0]=2 73 B12R0.43 O=C(O)/C=C(/C(=O)O)\[C@@H](O)C(=O)O CNP0496764.1 [1,1,0,0,0,0|0,0,2]=4 74 B12R0.43 O=C(O)C(O)C(CP(=O)O)C(=O)O CNP0081988.0 [1,1,0,0,0,0|1,0,0]=3 75 B12R0.43 O=C(O)C[C@@H](C(=O)O)[C@@H](O)C(=O)O CNP0271038.2 [1,1,0,0,0,0|0,0,0]=2 76 B12R0.43 O=C(O)C[C@@H](C(=O)O)[C@H](O)C(=O)O CNP0271038.4 [1,1,0,0,0,0|0,0,0]=2 77 B12R0.43 O=C(O)C[C@H](C(=O)O)C(=O)C(=O)O CNP0083669.1 [1,1,0,0,0,0|0,0,1]=3 78 B12R0.43 O=C(O)C[C@H](C(=O)O)C(O)C(=O)O CNP0271038.6 [1,1,0,0,0,0|0,0,0]=2 79 B12R0.43 O=C(O)C[C@H](C(=O)O)[C@@H](O)C(=O)O CNP0271038.5 [1,1,0,0,0,0|0,0,0]=2 80 B12R0.43 O=C(O)C[C@H](C(=O)O)[C@H](O)C(=O)O CNP0271038.1 [1,1,0,0,0,0|0,0,0]=2 81 B12R0.43 O=C(O)[C@@H]([13CH2][13C](=O)O)[C@@H](O)[13C](=O)O CNP0271038.3 [1,1,0,0,0,0|0,0,0]=2 82 B12R0.151 COC(=O)C=C(CC(=O)O)C(=O)O CNP0286343.0 [1,1,0,0,0,0|0,0,2]=4 83 B12R0.151 COC(=O)CC(=CC(=O)O)C(=O)O CNP0221376.0 [1,1,0,0,0,0|0,0,2]=4 84 B12R0.151 NCC(=O)NC(CC(=O)O)C(=O)O CNP0573136.0 [1,1,0,0,0,0|2,0,0]=4 85 B12R0.180 COC(=O)C(=CC(=O)O)CC(=O)O CNP0150543.0 [1,1,0,0,0,0|0,0,2]=4 86 B12R0.356 CSCC[C@@](O)(CC(=O)O)C(=O)O CNP0085010.1 [1,1,0,0,0,0|0,1,1]=4 87 B12R0.566 CC[C@H](C)[C@@](O)(CC(=O)O)C(=O)O CNP0217623.1 [1,1,0,0,0,0|1,0,1]=4 88 B14R0.4684 N[C@@H](C[C@](O)(CC(=O)O)C(=O)O)C(=O)O CNP0182260.1 [0,1,0,0,0,1|0,0,0]=2 89 B14R0.1662 COC(=O)C[C@@](O)(CC(=O)O)C(=O)OC CNP0087097.2 [0,2,0,0,0,0|0,0,0]=2 90 B14R0.1662 COC(=O)C[C@](O)(CC(=O)O)C(=O)OC CNP0087097.1 [0,2,0,0,0,0|0,0,0]=2 91 B14R0.2867 CCOC(=O)C[C@](O)(CC(=O)O)C(=O)O CNP0266171.1 [0,2,0,0,0,0|0,0,0]=2 92 B14R0.3762 COC(=O)CC(O)(CC(=O)OC)C(=O)O CNP0203777.0 [0,2,0,0,0,0|0,0,0]=2 93 B12R1.213 O=C(O)C[C@@H]1C(=O)O[C@H]1C(=O)O CNP0131695.1 [1,0,0,1,0,0|0,0,0]=2 94 B12R1.850 O=C1C[C@@H]([C@@H](O1)C(=O)O)C(=O)O CNP0469411.3 [1,0,0,1,0,0|0,0,0]=2 95 B12R1.850 O=C1C[C@@H]([C@H](O1)C(=O)O)C(=O)O CNP0469411.4 [1,0,0,1,0,0|0,0,0]=2 96 B12R1.850 O=C1C[C@H]([C@@H](O1)C(=O)O)C(=O)O CNP0469411.1 [1,0,0,1,0,0|0,0,0]=2 97 B12R1.850 O=C1C[C@H]([C@H](O1)C(=O)O)C(=O)O CNP0469411.2 [1,0,0,1,0,0|0,0,0]=2 98 B14R1.22945 O=C(O)CC1(COC(=O)O1)CC(=O)O CNP0209397.0 [0,0,0,1,0,1|1,0,0]=3 99 B14R1.20082 COC(=O)[C@]1(CC(=O)O[C@@H]1C(=O)O)O CNP0271924.1 [0,1,0,1,0,0|0,0,0]=2 100 B10R0.162 CC(=O)OC(C(=O)O)C(=O)O CNP0253612.0 [1,0,0,0,1,0|2,0,0]=4 101 B12R0.41 NC(=O)CN(CC(=O)O)CC(=O)O CNP0464718.0 [1,0,0,0,0,1|2,0,0]=4 102 B12R0.41 O=C(O)CN(CC(=O)O)CC(=O)O CNP0456542.0 [1,0,0,0,0,1|1,0,0]=3 103 B12R0.138 CC(=O)N[C@@H](CCC(=O)O)C(=O)O CNP0124986.1 [1,0,0,0,0,1|2,0,0]=4 104 B12R0.138 CC(=O)N[C@H](CCC(=O)O)C(=O)O CNP0124986.2 [1,0,0,0,0,1|2,0,0]=4 105 B12R0.138 NC(=O)N[C@@H](CCC(=O)O)C(=O)O CNP0251490.2 [1,0,0,0,0,1|2,0,0]=4 106 B12R0.138 NC(=O)N[C@H](CCC(=O)O)C(=O)O CNP0251490.1 [1,0,0,0,0,1|2,0,0]=4 107 B12R0.138 O=C(O)C=C(CCC(=O)O)C(=O)O CNP0439360.0 [1,0,0,0,0,1|0,0,2]=4 108 B12R0.138 O=C(O)CSC(CC(=O)O)C(=O)O CNP0491420.0 [1,0,0,0,0,1|0,0,0]=2 109 B14R0.913 O=C(O)CCC(O)(CC(=O)O)CC(=O)O CNP0084105.0 [0,0,0,0,0,2|0,0,0]=2