0 B11R0.32 C=C(C)CC(NC(=O)C)C(=O)O MCULE-7639004071 [0,0,0,0,0,0|4,0,0]=4 1 B11R0.32 C=C(C)C[C@H](NC(=O)C)C(=O)O MCULE-8601164722 [0,0,0,0,0,0|4,0,0]=4 2 B11R0.32 C=C(C)C[C@H](NC(=O)C)C(=O)O MCULE-8880296601 [0,0,0,0,0,0|4,0,0]=4 3 B11R0.32 CC(=O)NC(CC(=O)N)C(=O)O MCULE-4878635005 [0,0,0,0,0,0|3,0,0]=3 4 B11R0.32 CC(=O)NC(CC(=O)O)C(=O)N MCULE-5157971327 [0,0,0,0,0,0|3,0,0]=3 5 B11R0.32 CC(=O)NC(CC(=O)O)C(=O)O MCULE-8912395007 [0,0,0,0,0,0|2,0,0]=2 6 B11R0.32 CC(=O)NC(CC(=O)[O-])C(=O)[O-] MCULE-4482924233 [0,0,0,0,0,0|2,0,2]=4 7 B11R0.32 CC(=O)N[C@@H](CC(=O)N)C(=O)O MCULE-4594531393 [0,0,0,0,0,0|3,0,0]=3 8 B11R0.32 CC(=O)N[C@@H](CC(=O)O)C(=O)N MCULE-2089104598 [0,0,0,0,0,0|3,0,0]=3 9 B11R0.32 CC(=O)N[C@@H](CC(=O)O)C(=O)N MCULE-2463301038 [0,0,0,0,0,0|3,0,0]=3 10 B11R0.32 CC(=O)N[C@@H](CC(=O)O)C(=O)O MCULE-2346017798 [0,0,0,0,0,0|2,0,0]=2 11 B11R0.32 CC(=O)N[C@@H](CC(=O)O)C(=O)O MCULE-5208660790 [0,0,0,0,0,0|2,0,0]=2 12 B11R0.32 CC(=O)N[C@H](CC(=O)N)C(=O)O MCULE-2258546008 [0,0,0,0,0,0|3,0,0]=3 13 B11R0.32 CC(=O)N[C@H](CC(=O)N)C(=O)O MCULE-5563097482 [0,0,0,0,0,0|3,0,0]=3 14 B11R0.32 CC(C)C(CC(=O)O)CC(=O)O MCULE-6857247229 [0,0,0,0,0,0|2,0,1]=3 15 B11R0.32 CC(C)CC(CC(=O)O)C(=O)O MCULE-4610463681 [0,0,0,0,0,0|2,0,1]=3 16 B11R0.32 N=C(N)NC(CC(=O)O)C(=O)O MCULE-4241233413 [0,0,0,0,0,0|3,0,0]=3 17 B11R0.32 N=C(N)N[C@@H](CC(=O)O)C(=O)O MCULE-5013210070 [0,0,0,0,0,0|3,0,0]=3 18 B11R0.32 N=C(N)N[C@@H](CC(=O)O)C(=O)O MCULE-9253749740 [0,0,0,0,0,0|3,0,0]=3 19 B11R0.32 NC(=O)CC(CC(=O)N)C(=O)N MCULE-2785332198 [0,0,0,0,0,0|3,0,0]=3 20 B11R0.32 NC(=O)CC(NC(=O)N)C(=O)O MCULE-1904738893 [0,0,0,0,0,0|3,0,0]=3 21 B11R0.32 NC(=O)N(CC(=O)O)CC(=O)O MCULE-6956304715 [0,0,0,0,0,0|2,0,0]=2 22 B11R0.32 NC(=O)NC(CC(=O)O)C(=O)O MCULE-1014975815 [0,0,0,0,0,0|2,0,0]=2 23 B11R0.32 NC(=O)NC(NC(=O)N)C(=O)O MCULE-5327019203 [0,0,0,0,0,0|4,0,0]=4 24 B11R0.32 NC(=O)N[C@@H](CC(=O)O)C(=O)O MCULE-2523426634 [0,0,0,0,0,0|2,0,0]=2 25 B11R0.32 NC(=O)N[C@@H](CC(=O)O)C(=O)O MCULE-3753948535 [0,0,0,0,0,0|2,0,0]=2 26 B11R0.32 NC(=S)NC(CC(=O)O)C(=O)O MCULE-3942512238 [0,0,0,0,0,0|2,1,0]=3 27 B11R0.32 O=C(O)/C=C(/CC(=O)O)\C(=O)O MCULE-4820808264 [0,0,0,0,0,0|0,0,2]=2 28 B11R0.32 O=C(O)/C=C(\CC(=O)O)/C(=O)O MCULE-8825041724 [0,0,0,0,0,0|0,0,2]=2 29 B11R0.32 O=C(O)C=C(CC(=O)O)C(=O)O MCULE-2952775308 [0,0,0,0,0,0|0,0,2]=2 30 B11R0.32 O=C(O)CC(CC(=O)O)C(=O)O MCULE-6198986604 [0,0,0,0,0,0|0,0,0]=0 31 B11R0.32 O=C(O)CN(CC(=O)O)N(=O)=O MCULE-8303732787 [0,0,0,0,0,0|2,0,1]=3 32 B11R0.32 O=C([O-])CC(CP(=O)[O-])C(=O)[O-] MCULE-5105092355 [0,0,0,0,0,0|1,0,3]=4 33 B11R0.32 O=C([O-])CC(CP(=O)[O-])C(=O)[O-] MCULE-9663879342 [0,0,0,0,0,0|1,0,3]=4 34 B11R0.32 [C@@H](CC(=O)N)(NC(=O)C)C(=O)O MCULE-3763271453 [0,0,0,0,0,0|3,0,0]=3 35 B10R0.23 C=CCC(NC(=O)C)C(=O)O MCULE-7609607910 [1,0,0,0,0,0|3,0,0]=4 36 B10R0.23 CC(=O)NC(CCO)C(=O)O MCULE-2399187108 [1,0,0,0,0,0|2,0,1]=4 37 B10R0.23 CCCC(CC(=O)C)C(=O)O MCULE-7988753662 [1,0,0,0,0,0|2,0,1]=4 38 B10R0.23 CCCC(CC(=O)O)C(=O)O MCULE-5222720019 [1,0,0,0,0,0|1,0,1]=3 39 B10R0.23 COCC(CC(=O)O)C(=O)O MCULE-7211279043 [1,0,0,0,0,0|2,0,0]=3 40 B10R0.23 O=CNC(CC(=O)O)C(=O)O MCULE-1319737382 [1,0,0,0,0,0|1,0,0]=2 41 B12R0.43 C=C(C(=O)O)C(CC(=O)O)C(=O)O MCULE-2499412105 [0,1,0,0,0,0|0,0,1]=2 42 B12R0.43 O=C(O)CC(C(=O)O)C(O)C(=O)O MCULE-1207186330 [0,1,0,0,0,0|0,0,0]=1 43 B12R0.43 O=C(O)CC(C(=O)O)C(O)C(=O)[O-] MCULE-3358127861 [0,1,0,0,0,0|0,0,1]=2 44 B12R0.43 O=C(O)C[C@@H](C(=O)[O-])[C@@H](O)C(=O)O MCULE-6280875375 [0,1,0,0,0,0|0,0,1]=2 45 B12R0.43 O=C(O)C[C@@H](C(=O)[O-])[C@@H](O)C(=O)O MCULE-9197214556 [0,1,0,0,0,0|0,0,1]=2 46 B12R0.43 O=C([O-])CC(C(=O)[O-])C(O)C(=O)[O-] MCULE-5399502242 [0,1,0,0,0,0|0,0,3]=4 47 B12R0.43 O=C([O-])C[C@H](C(=O)[O-])[C@@H](O)C(=O)[O-] MCULE-1935929889 [0,1,0,0,0,0|0,0,3]=4 48 B12R0.43 O=C([O-])C[C@H](C(=O)[O-])[C@@H](O)C(=O)[O-] MCULE-5227774975 [0,1,0,0,0,0|0,0,3]=4 49 B12R0.151 COC(=O)CC(NC(=O)C)C(=O)O MCULE-1434400963 [0,1,0,0,0,0|2,0,0]=3 50 B12R0.151 COC(=O)C[C@H](NC(=O)C)C(=O)O MCULE-2116301658 [0,1,0,0,0,0|2,0,0]=3 51 B12R0.151 COC(=O)C[C@H](NC(=O)C)C(=O)O MCULE-8794138861 [0,1,0,0,0,0|2,0,0]=3 52 B12R0.151 NCC(=O)NC(CC(=O)O)C(=O)O MCULE-1425948003 [0,1,0,0,0,0|2,0,0]=3 53 B12R0.151 NCC(=O)N[C@@H](CC(=O)N)C(=O)O MCULE-4287075958 [0,1,0,0,0,0|3,0,0]=4 54 B12R0.151 NCC(=O)N[C@@H](CC(=O)N)C(=O)O MCULE-9105280006 [0,1,0,0,0,0|3,0,0]=4 55 B12R0.151 NCC(=O)N[C@@H](CC(=O)O)C(=O)O MCULE-4535987354 [0,1,0,0,0,0|2,0,0]=3 56 B12R0.151 NCC(=O)N[C@@H](CC(=O)O)C(=O)O MCULE-6987619517 [0,1,0,0,0,0|2,0,0]=3 57 B12R0.151 NCC(=O)N[C@H](CC(=O)N)C(=O)O MCULE-2556251281 [0,1,0,0,0,0|3,0,0]=4 58 B12R0.151 NCC(=O)N[C@H](CC(=O)N)C(=O)O MCULE-7730971504 [0,1,0,0,0,0|3,0,0]=4 59 B12R0.151 O=C(O)CC(NC(=O)CCl)C(=O)O MCULE-3415784989 [0,1,0,0,0,0|2,0,0]=3 60 B12R0.180 COC(=O)[C@@H](CC(=O)O)CC(C)C MCULE-3442621690 [0,1,0,0,0,0|2,0,1]=4 61 B12R0.180 COC(=O)[C@H](CC(=O)N)NC(=O)C MCULE-2578528413 [0,1,0,0,0,0|3,0,0]=4 62 B12R0.180 COC(=O)[C@H](CC(=O)O)NC(=O)C MCULE-4232811063 [0,1,0,0,0,0|2,0,0]=3 63 B12R0.180 COC(=O)[C@H](CC(=O)O)NC(=O)C MCULE-8813052646 [0,1,0,0,0,0|2,0,0]=3 64 B12R0.386 O=C(O)CC(CC(=O)O)C(F)(F)F MCULE-3285375626 [0,1,0,0,0,0|2,0,1]=4 65 B12R0.393 CC(=O)N(CC(=O)O)CP(=O)(O)O MCULE-5056027748 [0,1,0,0,0,0|3,0,0]=4 66 B12R0.393 CC(C)(C)CC(CC(=O)O)C(=O)O MCULE-9332320504 [0,1,0,0,0,0|2,0,1]=4 67 B12R0.393 CS(=O)(=O)NC(CC(=O)O)C(=O)O MCULE-4453340004 [0,1,0,0,0,0|2,0,1]=4 68 B12R0.393 O=C(O)CC(CP(=O)(O)O)C(=O)O MCULE-7584369439 [0,1,0,0,0,0|1,0,0]=2 69 B12R0.694 O=C(O)CC(O)(CC(=O)O)C(=O)O MCULE-2660877701 [0,1,0,0,0,0|0,0,0]=1 70 B12R0.694 O=C(O)CC(O)(CC(=O)O)C(=O)O MCULE-2931604113 [0,1,0,0,0,0|0,0,0]=1 71 B12R0.694 O=C(O)CC(O)(CC(=O)O)C(=O)O MCULE-3614590728 [0,1,0,0,0,0|0,0,0]=1 72 B12R0.694 O=C(O)CC(O)(CC(=O)O)C(=O)O MCULE-3854575300 [0,1,0,0,0,0|0,0,0]=1 73 B12R0.694 O=C(O)CC(O)(CC(=O)O)C(=O)O MCULE-3884812253 [0,1,0,0,0,0|0,0,0]=1 74 B12R0.694 O=C(O)CC(O)(CC(=O)O)C(=O)O MCULE-5083901722 [0,1,0,0,0,0|0,0,0]=1 75 B12R0.694 O=C(O)CC(O)(CC(=O)O)C(=O)O MCULE-5494663375 [0,1,0,0,0,0|0,0,0]=1 76 B12R0.694 O=C(O)CC(O)(CC(=O)O)C(=O)O MCULE-6168221722 [0,1,0,0,0,0|0,0,0]=1 77 B12R0.694 O=C(O)CC(O)(CC(=O)O)C(=O)O MCULE-7286832107 [0,1,0,0,0,0|0,0,0]=1 78 B12R0.694 O=C(O)CC(O)(CC(=O)O)C(=O)O MCULE-7461989018 [0,1,0,0,0,0|0,0,0]=1 79 B12R0.694 O=C(O)CC(O)(CC(=O)O)C(=O)O MCULE-7981253226 [0,1,0,0,0,0|0,0,0]=1 80 B12R0.694 O=C(O)CC(O)(CC(=O)O)C(=O)O MCULE-8070167250 [0,1,0,0,0,0|0,0,0]=1 81 B12R0.694 O=C(O)CC(O)(CC(=O)O)C(=O)O MCULE-8474985285 [0,1,0,0,0,0|0,0,0]=1 82 B12R0.694 O=C(O)CC(O)(CC(=O)O)C(=O)O MCULE-9281390239 [0,1,0,0,0,0|0,0,0]=1 83 B12R0.694 O=C([O-])CC(O)(CC(=O)O)C(=O)O MCULE-3431792506 [0,1,0,0,0,0|0,0,1]=2 84 B12R0.694 O=C([O-])CC(O)(CC(=O)O)C(=O)[O-] MCULE-2564662602 [0,1,0,0,0,0|0,0,2]=3 85 B12R0.694 O=C([O-])CC(O)(CC(=O)O)C(=O)[O-] MCULE-7204480298 [0,1,0,0,0,0|0,0,2]=3 86 B12R0.694 O=C([O-])CC(O)(CC(=O)[O-])C(=O)O MCULE-9960111669 [0,1,0,0,0,0|0,0,2]=3 87 B12R0.694 O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-] MCULE-1385479275 [0,1,0,0,0,0|0,0,3]=4 88 B12R0.694 O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-] MCULE-2140052675 [0,1,0,0,0,0|0,0,3]=4 89 B12R0.694 O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-] MCULE-2558782578 [0,1,0,0,0,0|0,0,3]=4 90 B12R0.694 O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-] MCULE-3883941838 [0,1,0,0,0,0|0,0,3]=4 91 B12R0.694 O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-] MCULE-4187230008 [0,1,0,0,0,0|0,0,3]=4 92 B12R0.694 O=C([O-])CC([O-])(CC(=O)[O-])C(=O)O MCULE-4695793534 [0,1,0,0,0,0|0,0,2]=3 93 B12R0.694 O=C([O-])CC([O-])(CC(=O)[O-])C(=O)[O-] MCULE-7093281153 [0,1,0,0,0,0|0,0,3]=4 94 B12R0.694 O=C([O-])CC([O-])(CC(=O)[O-])C(=O)[O-] MCULE-8138163683 [0,1,0,0,0,0|0,0,3]=4 95 B12R1.127 O=C(O)C[C@@H]1NC(=O)CNC1=O MCULE-6849055240 [0,0,0,1,0,0|3,0,0]=4 96 B12R1.127 O=C(O)C[C@@H]1NC(=O)CNC1=O MCULE-9161646901 [0,0,0,1,0,0|3,0,0]=4 97 B12R1.844 CC1(CC(C(=O)O1)CC(=O)O)C MCULE-5608114296 [0,0,0,1,0,0|2,0,1]=4 98 B12R1.850 CC1CC(C(C1)C(=O)O)C(=O)O MCULE-5449345895 [0,0,0,1,0,0|2,0,1]=4 99 B12R1.850 CN1C[C@@H]([C@H](C1)C(=O)O)C(=O)O MCULE-5250461580 [0,0,0,1,0,0|3,0,0]=4 100 B12R1.850 O=C1CC(C(C1)C(=O)O)C(=O)O MCULE-4393869476 [0,0,0,1,0,0|1,0,0]=2 101 B12R1.850 O=C1CC(C(O1)C(=O)O)C(=O)O MCULE-6848457652 [0,0,0,1,0,0|0,0,0]=1 102 B12R1.850 O=C1CC([C@@H](C1)C(=O)O)C(=O)O MCULE-9478964359 [0,0,0,1,0,0|1,0,0]=2 103 B12R1.852 CC1(OC(=O)CC1CC(=O)O)C MCULE-2557740816 [0,0,0,1,0,0|2,0,1]=4 104 B10R0.162 CC(=C(CC(=O)O)C(=O)O)C MCULE-6667375823 [0,0,0,0,1,0|2,0,1]=4 105 B10R0.162 CC(C)C(CC(=O)O)C(=O)O MCULE-8647740549 [0,0,0,0,1,0|2,0,1]=4 106 B10R0.162 CC(C)CC(C(=O)O)C(=O)O MCULE-6373522873 [0,0,0,0,1,0|2,0,1]=4 107 B10R0.162 CN(C)[C@@H](CC(=O)O)C(=O)O MCULE-5975487097 [0,0,0,0,1,0|3,0,0]=4 108 B10R0.162 CN(C)[C@H](CC(=O)O)C(=O)O MCULE-7438928757 [0,0,0,0,1,0|3,0,0]=4 109 B12R0.41 CC(C)CC(CC(=O)O)CC(=O)O MCULE-7888882967 [0,0,0,0,0,1|2,0,1]=4 110 B12R0.41 NC(=O)CN(CC(=O)O)CC(=O)O MCULE-7776883622 [0,0,0,0,0,1|2,0,0]=3 111 B12R0.41 NC(=O)CN(CC(=O)[O-])CC(=O)O MCULE-4041620421 [0,0,0,0,0,1|2,0,1]=4 112 B12R0.41 NC(=O)NN(CC(=O)O)CC(=O)O MCULE-1023550972 [0,0,0,0,0,1|2,0,0]=3 113 B12R0.41 NC(=S)NN(CC(=O)O)CC(=O)O MCULE-6440234250 [0,0,0,0,0,1|2,1,0]=4 114 B12R0.41 O=C(O)CN(CC(=O)O)CC(=O)O MCULE-5696288379 [0,0,0,0,0,1|1,0,0]=2 115 B12R0.41 O=C([O-])CN(CC(=O)[O-])CC(=O)O MCULE-6965600824 [0,0,0,0,0,1|1,0,2]=4 116 B12R0.138 CC(=O)NC(CCC(=O)N)C(=O)O MCULE-1934887222 [0,0,0,0,0,1|3,0,0]=4 117 B12R0.138 CC(=O)NC(CCC(=O)O)C(=O)O MCULE-4246221126 [0,0,0,0,0,1|2,0,0]=3 118 B12R0.138 CC(=O)NC(CCC(=O)O)C(=O)[O-] MCULE-6926285845 [0,0,0,0,0,1|2,0,1]=4 119 B12R0.138 CC(=O)NC(CSC(=O)C)C(=O)O MCULE-1484830678 [0,0,0,0,0,1|3,0,0]=4 120 B12R0.138 CC(=O)N[C@@H](CCC(=O)N)C(=O)O MCULE-6381531194 [0,0,0,0,0,1|3,0,0]=4 121 B12R0.138 CC(=O)N[C@@H](CCC(=O)N)C(=O)O MCULE-7631228514 [0,0,0,0,0,1|3,0,0]=4 122 B12R0.138 CC(=O)N[C@@H](CCC(=O)O)C(=O)N MCULE-8357951336 [0,0,0,0,0,1|3,0,0]=4 123 B12R0.138 CC(=O)N[C@@H](CCC(=O)O)C(=O)O MCULE-2229199971 [0,0,0,0,0,1|2,0,0]=3 124 B12R0.138 CC(=O)N[C@@H](CCC(=O)O)C(=O)O MCULE-6828522418 [0,0,0,0,0,1|2,0,0]=3 125 B12R0.138 CC(=O)N[C@@H](CSC(=O)C)C(=O)O MCULE-3391917785 [0,0,0,0,0,1|3,0,0]=4 126 B12R0.138 CC(=O)N[C@@H](CSC(=O)C)C(=O)O MCULE-5905408007 [0,0,0,0,0,1|3,0,0]=4 127 B12R0.138 CC(=O)N[C@H](CCC(=O)O)C(=O)O MCULE-5623672193 [0,0,0,0,0,1|2,0,0]=3 128 B12R0.138 CC(=O)N[C@H](CCC(=O)O)C(=O)O MCULE-6007670614 [0,0,0,0,0,1|2,0,0]=3 129 B12R0.138 CC(C)CC(CCC(=O)O)C(=O)O MCULE-5689039654 [0,0,0,0,0,1|2,0,1]=4 130 B12R0.138 CC(C)CSC(CC(=O)O)C(=O)O MCULE-5025540855 [0,0,0,0,0,1|2,0,1]=4 131 B12R0.138 N=C(N)NC(CCC(=O)O)C(=O)O MCULE-3525474442 [0,0,0,0,0,1|3,0,0]=4 132 B12R0.138 N=C(N)N[C@@H](CCC(=O)O)C(=O)O MCULE-2134783627 [0,0,0,0,0,1|3,0,0]=4 133 B12R0.138 N=C(N)N[C@@H](CCC(=O)O)C(=O)O MCULE-2158448069 [0,0,0,0,0,1|3,0,0]=4 134 B12R0.138 NC(=O)CCC(NC(=O)N)C(=O)O MCULE-8108551403 [0,0,0,0,0,1|3,0,0]=4 135 B12R0.138 NC(=O)NC(CCC(=O)O)C(=O)O MCULE-3205173370 [0,0,0,0,0,1|2,0,0]=3 136 B12R0.138 NC(=O)N[C@@H](CCC(=O)O)C(=O)O MCULE-6817913906 [0,0,0,0,0,1|2,0,0]=3 137 B12R0.138 NC(=O)N[C@@H](CCC(=O)O)C(=O)O MCULE-8310604508 [0,0,0,0,0,1|2,0,0]=3 138 B12R0.138 O=C(O)C/C=C(\CC(=O)O)/C(=O)O MCULE-2192027081 [0,0,0,0,0,1|0,0,1]=2 139 B12R0.138 O=C(O)CC=C(CC(=O)O)C(=O)O MCULE-5009214475 [0,0,0,0,0,1|0,0,1]=2 140 B12R0.138 O=C(O)CCC(CC(=O)O)C(=O)O MCULE-2741994268 [0,0,0,0,0,1|0,0,0]=1 141 B12R0.138 O=C(O)CSC(CC(=O)O)C(=O)O MCULE-6689291865 [0,0,0,0,0,1|0,0,0]=1 142 B12R0.138 [C@@H](CCC(=O)O)(NC(=O)C)C(=O)O MCULE-7234857249 [0,0,0,0,0,1|2,0,0]=3 143 B9R0.15 C=CCC(CC=C)C(=O)O MCULE-7388411599 [2,0,0,0,0,0|2,0,0]=4 144 B9R0.39 CC(=O)NC(CO)C(=O)O MCULE-1309560741 [2,0,0,0,0,0|2,0,0]=4 145 B9R0.39 CC(=O)N[C@@H](CO)C(=O)O MCULE-1874809708 [2,0,0,0,0,0|2,0,0]=4 146 B9R0.39 CC(=O)N[C@@H](CO)C(=O)O MCULE-6388016375 [2,0,0,0,0,0|2,0,0]=4 147 B9R0.39 CC(=O)N[C@H](CO)C(=O)O MCULE-3723348697 [2,0,0,0,0,0|2,0,0]=4 148 B9R0.39 CC=C(CC(=O)O)C(=O)O MCULE-9255608800 [2,0,0,0,0,0|1,0,1]=4 149 B9R0.39 CCC(CC(=O)O)C(=O)O MCULE-6275256194 [2,0,0,0,0,0|0,0,1]=3 150 B9R0.39 CNC(CC(=O)O)C(=O)O MCULE-5049531079 [2,0,0,0,0,0|1,0,1]=4 151 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O MCULE-4725692041 [2,0,0,0,0,0|1,0,1]=4 152 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O MCULE-6356483886 [2,0,0,0,0,0|1,0,1]=4 153 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O MCULE-9428412153 [2,0,0,0,0,0|1,0,1]=4 154 B9R0.39 CN[C@H](CC(=O)O)C(=O)O MCULE-1405442072 [2,0,0,0,0,0|1,0,1]=4 155 B9R0.39 CN[C@H](CC(=O)O)C(=O)O MCULE-8611804669 [2,0,0,0,0,0|1,0,1]=4 156 B9R0.39 CN[C@H](CC(=O)O)C(=O)O MCULE-9080466863 [2,0,0,0,0,0|1,0,1]=4 157 B9R0.39 COC(CC(=O)O)C(=O)O MCULE-3778948045 [2,0,0,0,0,0|1,0,1]=4 158 B9R0.39 NC(=O)NC(CO)C(=O)O MCULE-8322024012 [2,0,0,0,0,0|2,0,0]=4 159 B9R0.39 NCC(CC(=O)O)C(=O)O MCULE-1683659350 [2,0,0,0,0,0|1,0,0]=3 160 B9R0.39 NCC(CC(=O)O)C(=O)O MCULE-8428141166 [2,0,0,0,0,0|1,0,0]=3 161 B9R0.39 NCN(CC(=O)O)C(=O)O MCULE-9677383798 [2,0,0,0,0,0|2,0,0]=4 162 B9R0.39 O=C(O)CC(CS)C(=O)O MCULE-7352825049 [2,0,0,0,0,0|0,1,0]=3 163 B9R0.53 CC(CC(=O)O)CC(=O)O MCULE-7399673381 [2,0,0,0,0,0|0,0,1]=3 164 B9R0.53 CN(CC(=O)O)CC(=O)O MCULE-6535937676 [2,0,0,0,0,0|1,0,1]=4 165 B9R0.53 CN(CC(=O)O)CC(=O)O MCULE-9119313390 [2,0,0,0,0,0|1,0,1]=4 166 B9R0.53 NC(CC(=O)O)CC(=O)O MCULE-4205352281 [2,0,0,0,0,0|1,0,0]=3 167 B9R0.53 NC(CC(=O)O)CC(=O)O MCULE-5754399431 [2,0,0,0,0,0|1,0,0]=3 168 B9R0.53 NN(CC(=O)O)CC(=O)O MCULE-6707699178 [2,0,0,0,0,0|2,0,0]=4 169 B9R0.53 O=C(O)CC(=O)CC(=O)O MCULE-7760127170 [2,0,0,0,0,0|0,0,1]=3 170 B9R0.53 O=C(O)CC(O)CC(=O)O MCULE-7670149511 [2,0,0,0,0,0|0,0,0]=2 171 B9R0.53 O=C(O)CS(=O)CC(=O)O MCULE-8117628584 [2,0,0,0,0,0|1,0,0]=3 172 B11R0.160 C=CCNC(CC(=O)O)C(=O)O MCULE-9012180055 [1,1,0,0,0,0|1,0,0]=3 173 B11R0.160 CCCCC(CC(=O)O)C(=O)O MCULE-6663725829 [1,1,0,0,0,0|1,0,1]=4 174 B11R0.160 O=C(O)CC(NCCO)C(=O)O MCULE-9792724168 [1,1,0,0,0,0|0,0,1]=3 175 B11R0.236 C=CCC(NC(=O)OC)C(=O)O MCULE-2603702971 [1,1,0,0,0,0|2,0,0]=4 176 B11R0.236 C=CC[C@H](NC(=O)OC)C(=O)O MCULE-2015140127 [1,1,0,0,0,0|2,0,0]=4 177 B11R0.236 C=CC[C@H](NC(=O)OC)C(=O)O MCULE-3332528356 [1,1,0,0,0,0|2,0,0]=4 178 B11R0.35 C/C=C/C(CC(=O)O)CC(=O)O MCULE-7652192547 [1,1,0,0,0,0|1,0,0]=3 179 B11R0.35 CCCC(CC(=O)O)CC(=O)O MCULE-6540318880 [1,1,0,0,0,0|1,0,1]=4 180 B11R0.35 O=C(O)CN(CCO)CC(=O)O MCULE-4207926497 [1,1,0,0,0,0|1,0,1]=4 181 B11R0.210 CCC(C)(CC(=O)O)CC(=O)O MCULE-3159318035 [1,1,0,0,0,0|1,0,1]=4 182 B11R0.274 O=CN(CC(=O)O)CP(=O)(O)O MCULE-3695226542 [1,1,0,0,0,0|2,0,0]=4 183 B11R0.108 COC(=O)CC(C(=O)C)C(=O)C MCULE-2477667005 [0,1,0,0,1,0|2,0,0]=4 184 B11R0.234 O=C(O)CC(C(=O)O)P(=O)(O)O MCULE-5138494663 [0,1,0,0,1,0|1,0,0]=3 185 B11R0.234 O=C(O)CC(C(=O)O)S(=O)(=O)O MCULE-8466383398 [0,1,0,0,1,0|1,0,0]=3 186 B13R0.52 CC(C(=O)O)N(CC(=O)O)CC(=O)O MCULE-7799248197 [0,1,0,0,0,1|1,0,0]=3 187 B13R0.612 O=C(O)CN(CC(=O)O)CP(=O)(O)O MCULE-3594785583 [0,1,0,0,0,1|2,0,0]=4 188 B13R0.253 COC(=O)C(CCC(=O)O)CC(=O)O MCULE-8387000919 [0,1,0,0,0,1|0,0,0]=2 189 B13R0.253 COC(=O)C(CCC(=O)O)NC(=O)C MCULE-5671718877 [0,1,0,0,0,1|2,0,0]=4 190 B13R0.253 COC(=O)[C@H](CCC(=O)O)NC(=O)C MCULE-1802205404 [0,1,0,0,0,1|2,0,0]=4 191 B13R0.253 COC(=O)[C@H](CCC(=O)O)NC(=O)C MCULE-9268797259 [0,1,0,0,0,1|2,0,0]=4 192 B13R0.256 C(CCC(=O)O)(NC(=O)CN)C(=O)O MCULE-8962658243 [0,1,0,0,0,1|2,0,0]=4 193 B13R0.256 NCC(=O)N[C@@H](CCC(=O)O)C(=O)O MCULE-5199747095 [0,1,0,0,0,1|2,0,0]=4 194 B13R0.256 NCC(=O)N[C@@H](CCC(=O)O)C(=O)O MCULE-6881676270 [0,1,0,0,0,1|2,0,0]=4 195 B13R0.1418 O=C(O)CCC(CP(=O)(O)O)C(=O)O MCULE-3653331858 [0,1,0,0,0,1|1,0,0]=3 196 B13R0.1420 CC(C(=O)O)C(O)(CC(=O)O)C(=O)O MCULE-2499253856 [0,2,0,0,0,0|0,0,0]=2 197 B13R0.1420 O=C(O)CC(O)(C(=O)O)C(Cl)C(=O)O MCULE-3938532426 [0,2,0,0,0,0|0,0,0]=2 198 B13R0.1420 O=C(O)CC(O)(C(=O)O)C(O)C(=O)O MCULE-7677425769 [0,2,0,0,0,0|0,0,0]=2 199 B13R0.1420 O=C(O)CC(O)(C(=O)O)C(O)C(=O)[O-] MCULE-7798560211 [0,2,0,0,0,0|0,0,1]=3 200 B13R0.1420 O=C(O)C[C@@](O)(C(=O)O)[C@H](O)C(=O)O MCULE-1485482420 [0,2,0,0,0,0|0,0,0]=2 201 B13R0.1420 O=C(O)C[C@@](O)(C(=O)O)[C@H](O)C(=O)O MCULE-2212140671 [0,2,0,0,0,0|0,0,0]=2 202 B13R0.22 CCOC(=O)NC(CC(=O)N)C(=O)O MCULE-6308720839 [0,2,0,0,0,0|2,0,0]=4 203 B13R0.22 CCOC(=O)N[C@@H](CC(=O)N)C(=O)O MCULE-6905193279 [0,2,0,0,0,0|2,0,0]=4 204 B13R0.22 CCOC(=O)N[C@@H](CC(=O)N)C(=O)O MCULE-9426875096 [0,2,0,0,0,0|2,0,0]=4 205 B13R0.200 COC(=O)CC(CP(=O)[O-])C(=O)OC MCULE-4263964469 [0,2,0,0,0,0|1,0,1]=4 206 B13R0.200 COC(=O)CC(CP(=O)[O-])C(=O)OC MCULE-5570193170 [0,2,0,0,0,0|1,0,1]=4 207 B13R0.200 COC(=O)CC(NC(=O)C)C(=O)OC MCULE-1041942263 [0,2,0,0,0,0|2,0,0]=4 208 B13R0.200 COC(=O)C[C@H](NC(=O)C)C(=O)OC MCULE-3087023541 [0,2,0,0,0,0|2,0,0]=4 209 B13R0.200 COC(=O)C[C@H](NC(=O)C)C(=O)OC MCULE-7154170686 [0,2,0,0,0,0|2,0,0]=4 210 B13R0.829 COC(=O)CN(CC(=O)OC)C(=O)C MCULE-2295779239 [0,2,0,0,0,0|2,0,0]=4 211 B13R0.829 COC(=O)NC(NC(=O)OC)C(=O)O MCULE-3377485989 [0,2,0,0,0,0|2,0,0]=4 212 B13R0.904 COC(=O)CC(O)(CC(=O)O)C(=O)O MCULE-9940746723 [0,2,0,0,0,0|0,0,0]=2 213 B13R0.83 CCOC(=O)C(CC(=O)O)CC(=O)O MCULE-8753636107 [0,2,0,0,0,0|0,0,0]=2 214 B13R0.83 CCOC(=O)C(CC(=O)O)OC(=O)C MCULE-5916090983 [0,2,0,0,0,0|2,0,0]=4 215 B13R0.83 CCOC(=O)C(CC(=O)O)OC(=O)C MCULE-6000063635 [0,2,0,0,0,0|2,0,0]=4 216 B13R0.83 CCOC(=O)[C@H](CC(=O)O)OC(=O)C MCULE-3722737140 [0,2,0,0,0,0|2,0,0]=4 217 B13R0.1101 COC(=O)C(O)(CC(=O)O)CC(=O)O MCULE-7700993758 [0,2,0,0,0,0|0,0,0]=2 218 B11R1.74 O=C1CC(=O)CC(C1)C(=O)Cl MCULE-5961631621 [1,0,0,1,0,0|2,0,0]=4 219 B11R1.74 O=C1CC(=O)CC(C1)C(=O)O MCULE-2619134082 [1,0,0,1,0,0|1,0,0]=3 220 B11R1.74 O=C1CC(CC(=O)N1)C(=O)O MCULE-5623787674 [1,0,0,1,0,0|1,0,0]=3 221 B11R1.74 O=C1CC(NC(=O)N1)C(=O)O MCULE-8091289320 [1,0,0,1,0,0|2,0,0]=4 222 B11R1.74 O=C1C[C@@H](NC(=O)N1)C(=O)O MCULE-4074220021 [1,0,0,1,0,0|2,0,0]=4 223 B11R1.74 O=C1C[C@@H](NC(=O)N1)C(=O)O MCULE-7764195040 [1,0,0,1,0,0|2,0,0]=4 224 B11R1.74 O=C1C[C@H](NC(=O)N1)C(=O)O MCULE-6513392402 [1,0,0,1,0,0|2,0,0]=4 225 B11R1.74 O=C1C[C@H](NC(=O)N1)C(=O)O MCULE-7404763627 [1,0,0,1,0,0|2,0,0]=4 226 B11R1.178 O=C(O)C1CCCC1C(=O)O MCULE-1370613174 [1,0,0,1,0,0|1,0,1]=4 227 B11R1.178 O=C(O)C1CCNC1C(=O)O MCULE-2316581520 [1,0,0,1,0,0|1,0,1]=4 228 B11R1.178 O=C(O)C1CCNC1C(=O)O MCULE-9331741117 [1,0,0,1,0,0|1,0,1]=4 229 B11R1.178 O=C(O)C1COCC1C(=O)O MCULE-4469020347 [1,0,0,1,0,0|2,0,0]=4 230 B11R1.178 O=C(O)[C@@H]1CCC[C@H]1C(=O)O MCULE-5772739452 [1,0,0,1,0,0|1,0,1]=4 231 B11R1.178 O=C(O)[C@@H]1CCC[C@H]1C(=O)O MCULE-6923663809 [1,0,0,1,0,0|1,0,1]=4 232 B11R1.178 O=C(O)[C@@H]1CNC[C@@H]1C(=O)O MCULE-7094844570 [1,0,0,1,0,0|2,0,0]=4 233 B11R1.178 O=C(O)[C@@H]1COC[C@@H]1C(=O)O MCULE-2959853524 [1,0,0,1,0,0|2,0,0]=4 234 B11R1.178 O=C(O)[C@@H]1COC[C@H]1C(=O)O MCULE-9190757159 [1,0,0,1,0,0|2,0,0]=4 235 B11R1.178 O=C(O)[C@H]1CCC[C@H]1C(=O)O MCULE-2898188373 [1,0,0,1,0,0|1,0,1]=4 236 B11R1.178 O=C(O)[C@H]1COC[C@@H]1C(=O)O MCULE-4154653911 [1,0,0,1,0,0|2,0,0]=4 237 B11R1.178 O=C(O)[C@H]1COC[C@@H]1C(=O)O MCULE-5321587208 [1,0,0,1,0,0|2,0,0]=4 238 B11R1.645 C=C(C)CC1CC(=O)OC1=O MCULE-7614468328 [1,0,0,1,0,0|2,0,0]=4 239 B11R1.645 CC(=O)NC1CC(=O)OC1=O MCULE-4921755901 [1,0,0,1,0,0|2,0,0]=4 240 B11R1.645 CC(=O)OC1CC(=O)OC1=O MCULE-3977106754 [1,0,0,1,0,0|2,0,0]=4 241 B11R1.645 CC(=O)OC1CC(=O)OC1=O MCULE-6469987872 [1,0,0,1,0,0|2,0,0]=4 242 B11R1.645 CC(=O)O[C@@H]1CC(=O)OC1=O MCULE-3381101532 [1,0,0,1,0,0|2,0,0]=4 243 B11R1.645 CC(=O)O[C@@H]1CC(=O)OC1=O MCULE-5641729076 [1,0,0,1,0,0|2,0,0]=4 244 B11R1.645 CC(=O)O[C@H]1CC(=O)OC1=O MCULE-3939996054 [1,0,0,1,0,0|2,0,0]=4 245 B11R1.645 CC(=O)O[C@H]1CC(=O)OC1=O MCULE-6712017856 [1,0,0,1,0,0|2,0,0]=4 246 B11R1.645 CC(=O)SC1CC(=O)OC1=O MCULE-5304574969 [1,0,0,1,0,0|2,0,0]=4 247 B11R1.645 CC(=O)S[C@H]1CC(=O)OC1=O MCULE-9041670777 [1,0,0,1,0,0|2,0,0]=4 248 B11R1.645 O=C(O)CC1=CC(=O)OC1=O MCULE-8420291771 [1,0,0,1,0,0|0,0,2]=4 249 B11R1.645 O=C(O)CC1CC(=O)NC1=O MCULE-4247988695 [1,0,0,1,0,0|1,0,0]=3 250 B11R1.645 O=C(O)CC1CC(=O)OC1=O MCULE-5201948185 [1,0,0,1,0,0|0,0,0]=2 251 B11R1.645 O=C(O)CC1NC(=O)NC1=O MCULE-4472768936 [1,0,0,1,0,0|2,0,0]=4 252 B11R1.645 O=C(O)CC1SC(=O)NC1=O MCULE-8778282195 [1,0,0,1,0,0|2,0,0]=4 253 B11R1.645 O=C(O)CN1CC(=O)NC1=O MCULE-6009577973 [1,0,0,1,0,0|2,0,0]=4 254 B11R1.645 O=C(O)C[C@@H]1NC(=O)NC1=O MCULE-3659340200 [1,0,0,1,0,0|2,0,0]=4 255 B11R1.645 O=C(O)C[C@@H]1NC(=O)NC1=O MCULE-7657913540 [1,0,0,1,0,0|2,0,0]=4 256 B11R1.929 O=C(O)CC1(CCC1)C(=O)O MCULE-5638680542 [1,0,0,1,0,0|1,0,1]=4 257 B11R1.933 O=C(O)CC1(CC1)CC(=O)O MCULE-2240773943 [1,0,0,1,0,0|1,0,1]=4 258 B11R1.581 O=C(O)C1(CC(C1)O)C(=O)O MCULE-5802090810 [0,0,0,1,1,0|1,0,1]=4 259 B11R1.581 O=C1CC(C1)(C(=O)O)C(=O)O MCULE-6272718490 [0,0,0,1,1,0|1,0,0]=3 260 B13R1.138 O=C(O)CN1CC(CC1=O)C(=O)O MCULE-9910291732 [0,0,0,1,0,1|2,0,0]=4 261 B13R1.165 CC1=CCC(C(C1)C(=O)O)C(=O)O MCULE-2253127357 [0,0,0,1,0,1|2,0,0]=4 262 B13R1.165 O=C(O)C1CC=C(CC1C(=O)O)Cl MCULE-3599707483 [0,0,0,1,0,1|2,0,0]=4 263 B13R1.2023 O=C(O)CC1(OC1C(=O)O)C(=O)[O-] MCULE-5309657560 [0,0,0,1,0,1|0,0,1]=3 264 B13R1.2023 O=C(O)CC1(OC1C(=O)O)C(=O)[O-] MCULE-5518818326 [0,0,0,1,0,1|0,0,1]=3 265 B13R1.5889 O=C(O)CC1(CCC(=O)O1)C(=O)O MCULE-2632878459 [0,0,0,1,0,1|0,0,0]=2 266 B13R1.3475 C1(CC(=O)OC1(C)C(=O)O)C(=O)O MCULE-1895859964 [0,1,0,1,0,0|0,0,0]=2 267 B13R1.3475 O=C1C[C@@]([C@H](O1)C(=O)O)(O)C(=O)O MCULE-6114315628 [0,1,0,1,0,0|0,0,0]=2 268 B13R1.3475 O=C1C[C@@]([C@H](O1)C(=O)O)(O)C(=O)O MCULE-7321149696 [0,1,0,1,0,0|0,0,0]=2 269 B9R0.33 C=CCC(C(=O)O)C(=O)O MCULE-3298515693 [1,0,0,0,1,0|1,0,0]=3 270 B9R0.33 CCCC(C(=O)O)C(=O)O MCULE-5699074158 [1,0,0,0,1,0|1,0,1]=4 271 B11R0.146 N/C=N/[C@@H](CCC(=O)O)C(=O)O MCULE-1122843385 [1,0,0,0,0,1|2,0,0]=4 272 B11R0.146 NC(=O)CCC(NC=O)C(=O)O MCULE-5875375171 [1,0,0,0,0,1|2,0,0]=4 273 B11R0.28 NC(=O)CCC(C(=O)O)C(=O)O MCULE-8933018983 [0,0,0,0,1,1|1,0,0]=3 274 B13R0.177 O=C(O)CCN(CC(=O)O)CC(=O)O MCULE-8704112308 [0,0,0,0,0,2|1,0,0]=3 275 B13R0.53 CC(=O)SCC(CSC(=O)C)C(=O)O MCULE-3064609855 [0,0,0,0,0,2|2,0,0]=4 276 B13R0.53 O=C(O)CCC(CCC(=O)O)C(=O)O MCULE-8962977101 [0,0,0,0,0,2|0,0,0]=2