0 B11R0.160 CC(=O)N[C@@H](CCCN)C(=O)O MCULE-1427956391 [0,0,0,0,0,0|2,0,0]=2 1 B11R0.160 CC(=O)N[C@@H](CCCN)C(=O)O MCULE-1647417475 [0,0,0,0,0,0|2,0,0]=2 2 B11R0.160 CC(=O)N[C@@H](CSN=O)C(=O)O MCULE-4397408409 [0,0,0,0,0,0|3,0,0]=3 3 B11R0.160 CCCCC(CC(=O)O)C(=O)O MCULE-6663725829 [0,0,0,0,0,0|3,0,0]=3 4 B11R0.160 CCCCC(NC(=O)C)C(=O)C MCULE-9516659128 [0,0,0,0,0,0|2,0,0]=2 5 B11R0.160 CCCCC(NC(=O)C)C(=O)O MCULE-1796227277 [0,0,0,0,0,0|1,0,0]=1 6 B11R0.160 CCCCC(NC(=O)C)C(=O)O MCULE-2709462387 [0,0,0,0,0,0|1,0,0]=1 7 B11R0.160 CCCCC(NC(=O)N)C(=O)O MCULE-2177545582 [0,0,0,0,0,0|2,0,0]=2 8 B11R0.160 CCCC[C@@H](NC(=O)C)C(=O)O MCULE-5788818981 [0,0,0,0,0,0|1,0,0]=1 9 B11R0.160 CCCC[C@@H](NC(=O)C)C(=O)O MCULE-8915739057 [0,0,0,0,0,0|1,0,0]=1 10 B11R0.160 CCCC[C@H](NC(=O)C)C(=O)O MCULE-3651693998 [0,0,0,0,0,0|1,0,0]=1 11 B11R0.160 CCCC[C@H](NC(=O)C)C(=O)O MCULE-4560203101 [0,0,0,0,0,0|1,0,0]=1 12 B11R0.160 CCSCC(NC(=O)C)C(=O)O MCULE-9115578925 [0,0,0,0,0,0|2,0,0]=2 13 B11R0.160 CCSC[C@H](NC(=O)C)C(=O)O MCULE-5694706376 [0,0,0,0,0,0|2,0,0]=2 14 B11R0.160 COCCC(NC(=O)C)C(=O)O MCULE-9296272594 [0,0,0,0,0,0|0,1,0]=1 15 B11R0.160 CSCCC(NC(=O)C)C(=O)N MCULE-1955833225 [0,0,0,0,0,0|1,0,0]=1 16 B11R0.160 CSCCC(NC(=O)C)C(=O)O MCULE-6118079123 [0,0,0,0,0,0|0,0,0]=0 17 B11R0.160 CSCCC(NC(=O)N)C(=O)N MCULE-9253477279 [0,0,0,0,0,0|2,0,0]=2 18 B11R0.160 CSCCC(NC(=O)N)C(=O)O MCULE-8995512478 [0,0,0,0,0,0|1,0,0]=1 19 B11R0.160 CSCC[C@@H](NC(=O)C)C(=O)O MCULE-3164935915 [0,0,0,0,0,0|0,0,0]=0 20 B11R0.160 CSCC[C@@H](NC(=O)C)C(=O)O MCULE-9459431743 [0,0,0,0,0,0|0,0,0]=0 21 B11R0.160 CSCC[C@H](NC(=O)C)C(=O)N MCULE-3483850242 [0,0,0,0,0,0|1,0,0]=1 22 B11R0.160 CSCC[C@H](NC(=O)C)C(=O)N MCULE-9538917660 [0,0,0,0,0,0|1,0,0]=1 23 B11R0.160 CSCC[C@H](NC(=O)C)C(=O)O MCULE-8710138272 [0,0,0,0,0,0|0,0,0]=0 24 B11R0.160 CSCC[C@H](NC(=O)N)C(=O)O MCULE-5006828039 [0,0,0,0,0,0|1,0,0]=1 25 B11R0.160 [C@@H](CCSC)(NC(=O)C)C(=O)O MCULE-5012891970 [0,0,0,0,0,0|0,0,0]=0 26 B10R0.23 C#CCC(NC(=O)C)C(=O)O MCULE-9409389398 [1,0,0,0,0,0|0,0,2]=3 27 B10R0.23 C=CCC(NC(=O)C)C(=O)O MCULE-7609607910 [1,0,0,0,0,0|0,0,2]=3 28 B10R0.23 CC(=O)NC(CCO)C(=O)O MCULE-2399187108 [1,0,0,0,0,0|0,1,0]=2 29 B10R0.23 CC(=O)N[C@@H](CCS)C(=O)O MCULE-9792008044 [1,0,0,0,0,0|0,0,0]=1 30 B10R0.23 CCCC(CC(=O)C)C(=O)O MCULE-7988753662 [1,0,0,0,0,0|1,0,0]=2 31 B10R0.23 CCCC(CC(=O)O)C(=O)O MCULE-5222720019 [1,0,0,0,0,0|2,0,0]=3 32 B10R0.23 CCCC(CC(C)C)C(=O)O MCULE-1147118949 [1,0,0,0,0,0|2,0,1]=4 33 B10R0.23 CCCC(NC(=O)C)C(=O)O MCULE-3719218412 [1,0,0,0,0,0|0,0,0]=1 34 B10R0.23 CCCC(NC(=O)N)C(=O)O MCULE-3451078854 [1,0,0,0,0,0|1,0,0]=2 35 B10R0.23 CCC[C@@H](NC(=O)C)C(=O)O MCULE-7396030806 [1,0,0,0,0,0|0,0,0]=1 36 B10R0.23 CCC[C@@H](NC(=O)C)C(=O)O MCULE-7424603595 [1,0,0,0,0,0|0,0,0]=1 37 B10R0.23 CCC[C@@H](NC(=O)N)C(=O)O MCULE-4836272670 [1,0,0,0,0,0|1,0,0]=2 38 B10R0.23 CCC[C@H](NC(=O)C)C(=O)O MCULE-2905526129 [1,0,0,0,0,0|0,0,0]=1 39 B10R0.23 CCC[C@H](NC(=O)C)C(=O)O MCULE-6395010914 [1,0,0,0,0,0|0,0,0]=1 40 B10R0.23 CNCC(NC(=O)C)C(=O)O MCULE-4047191308 [1,0,0,0,0,0|1,0,0]=2 41 B10R0.23 CNC[C@H](NC(=O)C)C(=O)O MCULE-3833734431 [1,0,0,0,0,0|1,0,0]=2 42 B10R0.23 COCC(CC(=O)O)C(=O)O MCULE-7211279043 [1,0,0,0,0,0|2,1,0]=4 43 B10R0.23 COCC(NC(=O)C)C(=O)O MCULE-9763122983 [1,0,0,0,0,0|0,1,0]=2 44 B10R0.23 COC[C@@H](NC(=O)C)C(=O)O MCULE-2239598357 [1,0,0,0,0,0|0,1,0]=2 45 B10R0.23 COC[C@@H](NC(=O)C)C(=O)O MCULE-4278788977 [1,0,0,0,0,0|0,1,0]=2 46 B10R0.23 COC[C@H](NC(=O)C)C(=O)O MCULE-5146213386 [1,0,0,0,0,0|0,1,0]=2 47 B10R0.23 CSCC(NC(=O)C)C(=O)O MCULE-8059509909 [1,0,0,0,0,0|0,0,0]=1 48 B10R0.23 CSC[C@H](NC(=O)C)C(=O)O MCULE-1058369746 [1,0,0,0,0,0|0,0,0]=1 49 B10R0.88 CCCCC(CCC)C(=O)O MCULE-6453713560 [1,0,0,0,0,0|2,0,1]=4 50 B10R0.88 CCCCC(OCC)C(=O)O MCULE-8965525992 [1,0,0,0,0,0|2,0,1]=4 51 B10R0.88 CCCC[C@H](NC=O)C(=O)O MCULE-4509479689 [1,0,0,0,0,0|1,0,0]=2 52 B10R0.88 CCCC[C@H](NC=O)C(=O)O MCULE-9386007072 [1,0,0,0,0,0|1,0,0]=2 53 B10R0.88 CSCCC(NC=O)C(=O)O MCULE-1321874627 [1,0,0,0,0,0|0,0,0]=1 54 B10R0.88 CSCC[C@@H](N=[N+]=[N-])C(=O)O MCULE-4913744617 [1,0,0,0,0,0|2,0,1]=4 55 B10R0.88 CSCC[C@@H](N=[N+]=[N-])C(=O)O MCULE-6869218736 [1,0,0,0,0,0|2,0,1]=4 56 B10R0.88 CSCC[C@@H](NC=O)C(=O)O MCULE-1193383828 [1,0,0,0,0,0|0,0,0]=1 57 B10R0.88 CSCC[C@H](N=[N+]=[N-])C(=O)O MCULE-3349550763 [1,0,0,0,0,0|2,0,1]=4 58 B10R0.88 CSCC[C@H](N=[N+]=[N-])C(=O)O MCULE-5583634379 [1,0,0,0,0,0|2,0,1]=4 59 B10R0.88 CSCC[C@H](NC=O)C(=O)O MCULE-6184653272 [1,0,0,0,0,0|0,0,0]=1 60 B10R0.88 CSCC[C@H](NC=O)C(=O)O MCULE-8050291491 [1,0,0,0,0,0|0,0,0]=1 61 B12R0.73 CCOC(=O)C(NC(=O)C)C(=O)O MCULE-9490902142 [0,1,0,0,0,0|2,0,1]=4 62 B12R0.120 C=CCSCC(NC(=O)C)C(=O)O MCULE-3064329228 [0,1,0,0,0,0|1,0,1]=3 63 B12R0.120 C=CCSC[C@H](NC(=O)C)C(=O)O MCULE-7322007743 [0,1,0,0,0,0|1,0,1]=3 64 B12R0.120 CC(=O)NC(CCCCN)C(=O)O MCULE-8017448166 [0,1,0,0,0,0|1,0,0]=2 65 B12R0.120 CC(=O)N[C@@H](CCCCN)C(=O)N MCULE-1304308787 [0,1,0,0,0,0|2,0,0]=3 66 B12R0.120 CC(=O)N[C@@H](CCCCN)C(=O)N MCULE-3583752590 [0,1,0,0,0,0|2,0,0]=3 67 B12R0.120 CC(=O)N[C@@H](CCCCN)C(=O)N MCULE-8452006905 [0,1,0,0,0,0|2,0,0]=3 68 B12R0.120 CC(=O)N[C@@H](CCCCN)C(=O)N MCULE-8798570465 [0,1,0,0,0,0|2,0,0]=3 69 B12R0.120 CC(=O)N[C@@H](CCCCN)C(=O)O MCULE-5740334109 [0,1,0,0,0,0|1,0,0]=2 70 B12R0.120 CC(=O)N[C@@H](CCCCN)C(=O)O MCULE-7913524496 [0,1,0,0,0,0|1,0,0]=2 71 B12R0.120 CC(=O)N[C@@H](CSCCO)C(=O)O MCULE-8868188800 [0,1,0,0,0,0|2,0,0]=3 72 B12R0.120 CC(=O)N[C@H](CCCCN)C(=O)O MCULE-2510006283 [0,1,0,0,0,0|1,0,0]=2 73 B12R0.120 CC(=O)N[C@H](CCCCN)C(=O)O MCULE-3102213302 [0,1,0,0,0,0|1,0,0]=2 74 B12R0.120 CCCCSC(CC(=O)O)C(=O)O MCULE-8785216159 [0,1,0,0,0,0|3,0,0]=4 75 B12R0.120 CCCSCC(NC(=O)C)C(=O)O MCULE-4773534022 [0,1,0,0,0,0|1,0,0]=2 76 B12R0.120 CCCSC[C@H](NC(=O)C)C(=O)O MCULE-6827648453 [0,1,0,0,0,0|1,0,0]=2 77 B12R0.120 CCSCCC(NC(=O)C)C(=O)O MCULE-1435768152 [0,1,0,0,0,0|0,0,0]=1 78 B12R0.129 CCC(=O)NC(CCSC)C(=O)O MCULE-3106840396 [0,1,0,0,0,0|0,0,0]=1 79 B12R0.129 CCCCC(NC(=O)CCl)C(=O)O MCULE-4223749111 [0,1,0,0,0,0|1,0,0]=2 80 B12R0.129 CCCCC(NC(=O)CN)C(=O)O MCULE-1003008344 [0,1,0,0,0,0|1,0,0]=2 81 B12R0.129 CCCC[C@H](NC(=O)CCl)C(=O)O MCULE-2346200876 [0,1,0,0,0,0|1,0,0]=2 82 B12R0.129 CCCC[C@H](NC(=O)CCl)C(=O)O MCULE-3907518151 [0,1,0,0,0,0|1,0,0]=2 83 B12R0.129 CSCCC(NC(=O)CN)C(=O)O MCULE-4509739617 [0,1,0,0,0,0|0,0,0]=1 84 B12R0.129 CSCC[C@H](NC(=O)CN)C(=O)O MCULE-1237894856 [0,1,0,0,0,0|0,0,0]=1 85 B12R0.129 CSCC[C@H](NC(=O)CN)C(=O)O MCULE-9573195638 [0,1,0,0,0,0|0,0,0]=1 86 B12R0.129 [C@@H](CCCC)(NC(=O)CN)C(=O)O MCULE-9428552827 [0,1,0,0,0,0|1,0,0]=2 87 B12R0.138 CC(=O)NC(CCC(=O)N)C(=O)O MCULE-1934887222 [0,1,0,0,0,0|2,0,0]=3 88 B12R0.138 CC(=O)NC(CCC(=O)O)C(=O)O MCULE-4246221126 [0,1,0,0,0,0|2,0,0]=3 89 B12R0.138 CC(=O)NC(CCC(=O)O)C(=O)[O-] MCULE-6926285845 [0,1,0,0,0,0|2,0,1]=4 90 B12R0.138 CC(=O)NC(CCC(C)C)C(=O)O MCULE-1991731528 [0,1,0,0,0,0|1,0,0]=2 91 B12R0.138 CC(=O)NC(CCS(=O)C)C(=O)O MCULE-2443247166 [0,1,0,0,0,0|0,0,1]=2 92 B12R0.138 CC(=O)NC(COC(C)C)C(=O)O MCULE-5081773345 [0,1,0,0,0,0|2,0,0]=3 93 B12R0.138 CC(=O)NC(CSC(=O)C)C(=O)O MCULE-1484830678 [0,1,0,0,0,0|2,0,0]=3 94 B12R0.138 CC(=O)N[C@@H](CCC(=O)N)C(=O)N MCULE-5557467298 [0,1,0,0,0,0|3,0,0]=4 95 B12R0.138 CC(=O)N[C@@H](CCC(=O)N)C(=O)O MCULE-6381531194 [0,1,0,0,0,0|2,0,0]=3 96 B12R0.138 CC(=O)N[C@@H](CCC(=O)N)C(=O)O MCULE-7631228514 [0,1,0,0,0,0|2,0,0]=3 97 B12R0.138 CC(=O)N[C@@H](CCC(=O)O)C(=O)N MCULE-8357951336 [0,1,0,0,0,0|3,0,0]=4 98 B12R0.138 CC(=O)N[C@@H](CCC(=O)O)C(=O)O MCULE-2229199971 [0,1,0,0,0,0|2,0,0]=3 99 B12R0.138 CC(=O)N[C@@H](CCC(=O)O)C(=O)O MCULE-6828522418 [0,1,0,0,0,0|2,0,0]=3 100 B12R0.138 CC(=O)N[C@@H](CCS(=O)C)C(=O)O MCULE-3134653535 [0,1,0,0,0,0|0,0,1]=2 101 B12R0.138 CC(=O)N[C@@H](CCS(=O)C)C(=O)O MCULE-6666697387 [0,1,0,0,0,0|0,0,1]=2 102 B12R0.138 CC(=O)N[C@@H](CSC(=O)C)C(=O)O MCULE-3391917785 [0,1,0,0,0,0|2,0,0]=3 103 B12R0.138 CC(=O)N[C@@H](CSC(=O)C)C(=O)O MCULE-5905408007 [0,1,0,0,0,0|2,0,0]=3 104 B12R0.138 CC(=O)N[C@H](CCC(=O)O)C(=O)O MCULE-5623672193 [0,1,0,0,0,0|2,0,0]=3 105 B12R0.138 CC(=O)N[C@H](CCC(=O)O)C(=O)O MCULE-6007670614 [0,1,0,0,0,0|2,0,0]=3 106 B12R0.138 NC(=O)CCC(NC(=O)N)C(=O)O MCULE-8108551403 [0,1,0,0,0,0|3,0,0]=4 107 B12R0.138 NC(=O)NC(CCC(=O)O)C(=O)O MCULE-3205173370 [0,1,0,0,0,0|3,0,0]=4 108 B12R0.138 NC(=O)N[C@@H](CCC(=O)O)C(=O)O MCULE-6817913906 [0,1,0,0,0,0|3,0,0]=4 109 B12R0.138 NC(=O)N[C@@H](CCC(=O)O)C(=O)O MCULE-8310604508 [0,1,0,0,0,0|3,0,0]=4 110 B12R0.138 [C@@H](CCC(=O)O)(NC(=O)C)C(=O)O MCULE-7234857249 [0,1,0,0,0,0|2,0,0]=3 111 B12R0.151 COC(=O)CC(NC(=O)C)C(=O)O MCULE-1434400963 [0,1,0,0,0,0|0,1,1]=3 112 B12R0.151 COC(=O)C[C@H](NC(=O)C)C(=O)O MCULE-2116301658 [0,1,0,0,0,0|0,1,1]=3 113 B12R0.151 COC(=O)C[C@H](NC(=O)C)C(=O)O MCULE-8794138861 [0,1,0,0,0,0|0,1,1]=3 114 B12R0.247 COC(=O)C(CCSC)NC(=O)C MCULE-1752910006 [0,1,0,0,0,0|0,0,0]=1 115 B12R0.247 COC(=O)[C@H](CCSC)NC(=O)C MCULE-5242767729 [0,1,0,0,0,0|0,0,0]=1 116 B12R0.247 COC(=O)[C@H](CCSC)NC(=O)C MCULE-7873559640 [0,1,0,0,0,0|0,0,0]=1 117 B12R0.253 CCCCC(C(=O)O)C(C)C(=O)O MCULE-8704830895 [0,1,0,0,0,0|3,0,0]=4 118 B12R1.210 CC(=O)N[C@H]1CCNCC[C@@H]1O MCULE-3152329875 [0,0,0,1,0,0|2,0,1]=4 119 B12R1.261 CC(=O)N1CCCCC1C(=O)O MCULE-9909402121 [0,0,0,1,0,0|1,0,0]=2 120 B12R1.261 CC(=O)N1CCCCN1C(=O)C MCULE-5064173008 [0,0,0,1,0,0|3,0,0]=4 121 B12R1.261 CC(=O)N1CCNCC1C(=O)N MCULE-6316455374 [0,0,0,1,0,0|3,0,0]=4 122 B12R1.261 CC(=O)N1CCNCC1C(=O)N MCULE-8602859617 [0,0,0,1,0,0|3,0,0]=4 123 B12R1.261 CC(=O)N1CCNCC1C(=O)O MCULE-8968360886 [0,0,0,1,0,0|2,0,0]=3 124 B12R1.261 CC(=O)N1CCOCC1C(=O)O MCULE-4489986949 [0,0,0,1,0,0|2,0,0]=3 125 B12R1.261 CC(C)N1CCCCC1C(=O)O MCULE-1732607027 [0,0,0,1,0,0|2,0,1]=4 126 B12R1.261 CC(C)N1CCCCC1C(=O)O MCULE-7684924530 [0,0,0,1,0,0|2,0,1]=4 127 B12R1.261 CC(C)N1CCCC[C@H]1C(=O)O MCULE-7336169680 [0,0,0,1,0,0|2,0,1]=4 128 B12R1.261 CC(C)N1CCCC[C@H]1C(=O)O MCULE-8875686576 [0,0,0,1,0,0|2,0,1]=4 129 B12R1.261 NC(=O)C1CCCCC1C(=O)O MCULE-3798252597 [0,0,0,1,0,0|3,0,0]=4 130 B12R1.261 NC(=O)N1CCCCC1C(=O)O MCULE-9551488406 [0,0,0,1,0,0|2,0,0]=3 131 B12R1.261 NC(=O)[C@@H]1CCCC[C@@H]1C(=O)O MCULE-7178475126 [0,0,0,1,0,0|3,0,0]=4 132 B12R1.261 NC(=O)[C@@H]1CCCC[C@@H]1C(=O)O MCULE-8672445916 [0,0,0,1,0,0|3,0,0]=4 133 B12R1.261 NC(=O)[C@@H]1CCCC[C@H]1C(=O)O MCULE-2394611865 [0,0,0,1,0,0|3,0,0]=4 134 B12R1.261 NC(=O)[C@@H]1CCCC[C@H]1C(=O)O MCULE-4597512342 [0,0,0,1,0,0|3,0,0]=4 135 B12R1.261 NC(=O)[C@H]1CCCC[C@@H]1C(=O)O MCULE-3656636765 [0,0,0,1,0,0|3,0,0]=4 136 B12R1.261 NC(=O)[C@H]1CCCC[C@@H]1C(=O)O MCULE-3887795119 [0,0,0,1,0,0|3,0,0]=4 137 B12R1.261 NC(=O)[C@H]1CCCC[C@H]1C(=O)O MCULE-4029989910 [0,0,0,1,0,0|3,0,0]=4 138 B12R1.261 NC(=O)[C@H]1CCCC[C@H]1C(=O)O MCULE-6704294440 [0,0,0,1,0,0|3,0,0]=4 139 B12R1.261 O=C(O)C1CCCCC1C(=O)O MCULE-3185409075 [0,0,0,1,0,0|3,0,0]=4 140 B12R1.261 O=C(O)C1CCCCN1C(=O)O MCULE-9397034021 [0,0,0,1,0,0|2,0,0]=3 141 B12R1.261 O=C(O)C1CCNCC1C(=O)O MCULE-6895708229 [0,0,0,1,0,0|3,0,0]=4 142 B12R1.261 O=C(O)C1CCNCC1C(=O)O MCULE-8118548559 [0,0,0,1,0,0|3,0,0]=4 143 B12R1.261 O=C(O)[C@@H]1CCCC[C@H]1C(=O)O MCULE-4895515726 [0,0,0,1,0,0|3,0,0]=4 144 B12R1.261 O=C(O)[C@@H]1CCCC[C@H]1C(=O)O MCULE-4906980900 [0,0,0,1,0,0|3,0,0]=4 145 B12R1.261 O=C(O)[C@@H]1CCCC[C@H]1C(=O)O MCULE-7747323415 [0,0,0,1,0,0|3,0,0]=4 146 B12R1.261 O=C(O)[C@H]1CCCC[C@@H]1C(=O)O MCULE-1184405040 [0,0,0,1,0,0|3,0,0]=4 147 B12R1.261 O=C(O)[C@H]1CCCC[C@@H]1C(=O)O MCULE-3346909877 [0,0,0,1,0,0|3,0,0]=4 148 B12R1.261 O=C(O)[C@H]1CCCC[C@H]1C(=O)O MCULE-9506589203 [0,0,0,1,0,0|3,0,0]=4 149 B12R1.1011 O=C1CCCCCC(C1)C(=O)O MCULE-3072060660 [0,0,0,1,0,0|2,0,0]=3 150 B12R1.1218 O=C1CCC(NC(=O)N1)C(=O)O MCULE-1500901584 [0,0,0,1,0,0|3,0,0]=4 151 B12R1.1813 CC(=O)NC(C(=O)O)C1CCC1 MCULE-7324167109 [0,0,0,1,0,0|1,0,0]=2 152 B12R1.1813 CC(=O)N[C@@H](C(=O)O)C1CCC1 MCULE-1922537851 [0,0,0,1,0,0|1,0,0]=2 153 B12R1.1813 CC(=O)N[C@@H](C(=O)O)C1CCC1 MCULE-4142284689 [0,0,0,1,0,0|1,0,0]=2 154 B12R1.3171 CC(=O)CC1(CCCC1)C(=O)O MCULE-7800919865 [0,0,0,1,0,0|2,0,0]=3 155 B12R1.3171 CC(=O)NC1(CCCC1)C(=O)O MCULE-6408888911 [0,0,0,1,0,0|1,0,0]=2 156 B12R1.3171 O=C(O)CC1(CCCC1)C(=O)O MCULE-5558936340 [0,0,0,1,0,0|3,0,0]=4 157 B12R1.3579 CC(=O)NC(CC1CC1)C(=O)O MCULE-8273593050 [0,0,0,1,0,0|1,0,0]=2 158 B12R1.3579 CC(=O)N[C@H](CC1CC1)C(=O)O MCULE-2932450350 [0,0,0,1,0,0|1,0,0]=2 159 B12R1.3579 CC(=O)N[C@H](CC1CC1)C(=O)O MCULE-3020077724 [0,0,0,1,0,0|1,0,0]=2 160 B10R0.17 CC(=O)C(CCC#N)C(=O)C MCULE-7422014117 [0,0,0,0,1,0|3,0,0]=4 161 B10R0.17 CCCCC(C(=O)C)C(=O)C MCULE-7952862116 [0,0,0,0,1,0|2,0,0]=3 162 B10R0.17 CCCCC(C(=O)O)C(=O)O MCULE-4493343687 [0,0,0,0,1,0|2,0,0]=3 163 B10R0.17 CCCCC(C(=O)O)C(C)C MCULE-9724362832 [0,0,0,0,1,0|2,0,1]=4 164 B10R0.17 CCCCC(C(=O)O)N(C)C MCULE-6841521624 [0,0,0,0,1,0|3,0,0]=4 165 B10R0.17 CCCC[C@H](C(=O)O)N(C)C MCULE-9240540420 [0,0,0,0,1,0|3,0,0]=4 166 B10R0.17 CSCCC(C(=O)O)N(C)C MCULE-9926404769 [0,0,0,0,1,0|2,0,0]=3 167 B10R0.17 CSCC[C@@H](C(=O)O)N(C)C MCULE-5085715326 [0,0,0,0,1,0|2,0,0]=3 168 B10R0.17 CSCC[C@H](C(=O)O)N(C)C MCULE-7026121281 [0,0,0,0,1,0|2,0,0]=3 169 B10R0.17 NCCCC(C(=O)O)C(=O)O MCULE-4043949471 [0,0,0,0,1,0|3,0,0]=4 170 B12R0.55 CCCCC(ON=C(C)C)C(=O)O MCULE-1784339861 [0,0,0,0,0,1|2,0,1]=4 171 B9R0.15 C=CCC(CCC)C(=O)O MCULE-5379398676 [2,0,0,0,0,0|1,0,1]=4 172 B9R0.15 CCCC(CCC)C(=O)O MCULE-7136317196 [2,0,0,0,0,0|1,0,1]=4 173 B9R0.15 CCCC(NC=O)C(=O)O MCULE-7516123408 [2,0,0,0,0,0|0,0,0]=2 174 B9R0.15 CCCC(OCC)C(=O)O MCULE-7197686501 [2,0,0,0,0,0|1,0,1]=4 175 B9R0.39 CC(=O)NC(CO)C(=O)O MCULE-1309560741 [2,0,0,0,0,0|0,1,0]=3 176 B9R0.39 CC(=O)NC(CS)C(=O)N MCULE-2256527758 [2,0,0,0,0,0|1,0,0]=3 177 B9R0.39 CC(=O)NC(CS)C(=O)O MCULE-6378320219 [2,0,0,0,0,0|0,0,0]=2 178 B9R0.39 CC(=O)NC(CS)C(=O)O MCULE-8740981134 [2,0,0,0,0,0|0,0,0]=2 179 B9R0.39 CC(=O)N[C@@H](CO)C(=O)O MCULE-1874809708 [2,0,0,0,0,0|0,1,0]=3 180 B9R0.39 CC(=O)N[C@@H](CO)C(=O)O MCULE-6388016375 [2,0,0,0,0,0|0,1,0]=3 181 B9R0.39 CC(=O)N[C@@H](CS)C(=O)N MCULE-1208846063 [2,0,0,0,0,0|1,0,0]=3 182 B9R0.39 CC(=O)N[C@@H](CS)C(=O)N MCULE-2389070545 [2,0,0,0,0,0|1,0,0]=3 183 B9R0.39 CC(=O)N[C@@H](CS)C(=O)O MCULE-3293270590 [2,0,0,0,0,0|0,0,0]=2 184 B9R0.39 CC(=O)N[C@@H](CS)C(=O)O MCULE-8632971295 [2,0,0,0,0,0|0,0,0]=2 185 B9R0.39 CC(=O)N[C@H](CO)C(=O)O MCULE-3723348697 [2,0,0,0,0,0|0,1,0]=3 186 B9R0.39 CC(=O)N[C@H](CS)C(=O)O MCULE-2338539483 [2,0,0,0,0,0|0,0,0]=2 187 B9R0.39 CC(=O)N[C@H](CS)C(=O)O MCULE-7287452762 [2,0,0,0,0,0|0,0,0]=2 188 B9R0.39 CCC(CC(=O)O)C(=O)O MCULE-6275256194 [2,0,0,0,0,0|2,0,0]=4 189 B9R0.39 CCC(NC(=O)C)C(=O)O MCULE-1309294109 [2,0,0,0,0,0|0,0,0]=2 190 B9R0.39 CCC(NC(=O)C)C(=O)O MCULE-9698129539 [2,0,0,0,0,0|0,0,0]=2 191 B9R0.39 CCC(NC(=O)N)C(=O)O MCULE-1973871135 [2,0,0,0,0,0|1,0,0]=3 192 B9R0.39 CCC(NC(C)C)C(=O)O MCULE-7235932783 [2,0,0,0,0,0|1,0,1]=4 193 B9R0.39 CCC(NC(C)C)C(=O)O MCULE-7934342287 [2,0,0,0,0,0|1,0,1]=4 194 B9R0.39 CC[C@@H](NC(=O)C)C(=O)O MCULE-4606830483 [2,0,0,0,0,0|0,0,0]=2 195 B9R0.39 CC[C@@H](NC(=O)C)C(=O)O MCULE-7396715663 [2,0,0,0,0,0|0,0,0]=2 196 B9R0.39 N=C(N)N[C@@H](CS)C(=O)O MCULE-8761842896 [2,0,0,0,0,0|2,0,0]=4 197 B9R0.39 NC(=O)NC(CO)C(=O)O MCULE-8322024012 [2,0,0,0,0,0|1,1,0]=4 198 B9R0.39 NC(=O)NC(CS)C(=O)O MCULE-3558033323 [2,0,0,0,0,0|1,0,0]=3 199 B9R0.39 NC(=O)N[C@@H](CS)C(=O)O MCULE-9735857877 [2,0,0,0,0,0|1,0,0]=3 200 B9R0.39 O=C(O)CC(CS)C(=O)O MCULE-7352825049 [2,0,0,0,0,0|2,0,0]=4 201 B9R0.4 CSCCC(O)CC(=O)O MCULE-8328222292 [2,0,0,0,0,0|2,0,0]=4 202 B9R0.13 CCC(CCOC)C(=O)O MCULE-9329790915 [2,0,0,0,0,0|0,1,1]=4 203 B9R0.13 CCCCC(CC)C(=O)O MCULE-5686478683 [2,0,0,0,0,0|1,0,1]=4 204 B9R0.13 CCCCC(NC)C(=O)N MCULE-5960268514 [2,0,0,0,0,0|2,0,0]=4 205 B9R0.13 CCCCC(NC)C(=O)O MCULE-1290797295 [2,0,0,0,0,0|1,0,0]=3 206 B9R0.13 CCCCC(OC)C(=O)O MCULE-4251070702 [2,0,0,0,0,0|2,0,0]=4 207 B9R0.13 CCCC[C@@H](CC)C(=O)O MCULE-3017621334 [2,0,0,0,0,0|1,0,1]=4 208 B9R0.13 CCCC[C@@H](CC)C(=O)O MCULE-9782965208 [2,0,0,0,0,0|1,0,1]=4 209 B9R0.13 CCCC[C@H](CC)C(=O)O MCULE-7435371149 [2,0,0,0,0,0|1,0,1]=4 210 B9R0.13 CCCC[C@H](NC)C(=O)O MCULE-2734051077 [2,0,0,0,0,0|1,0,0]=3 211 B9R0.13 CCCC[C@H](NC)C(=O)O MCULE-3251368399 [2,0,0,0,0,0|1,0,0]=3 212 B9R0.13 CCCC[C@H](NC)C(=O)O MCULE-5821422660 [2,0,0,0,0,0|1,0,0]=3 213 B9R0.13 CCCC[C@H](NC)C(=O)O MCULE-6933942099 [2,0,0,0,0,0|1,0,0]=3 214 B9R0.13 CN[C@@H](CCCN)C(=O)O MCULE-3425842174 [2,0,0,0,0,0|2,0,0]=4 215 B9R0.13 CN[C@@H](CCCN)C(=O)O MCULE-5957010617 [2,0,0,0,0,0|2,0,0]=4 216 B9R0.13 CN[C@@H](CCSC)C(=O)O MCULE-4656254779 [2,0,0,0,0,0|0,0,0]=2 217 B9R0.13 CN[C@@H](CCSC)C(=O)O MCULE-9180929954 [2,0,0,0,0,0|0,0,0]=2 218 B9R0.13 COC(CCSC)C(=O)O MCULE-2968161259 [2,0,0,0,0,0|1,0,0]=3 219 B9R0.13 CSCCC(N=[Se])C(=O)O MCULE-9506566313 [2,0,0,0,0,0|0,1,1]=4 220 B11R0.32 C(CC(C)C)(NC(=O)C)C(=O)N MCULE-8777964324 [1,1,0,0,0,0|1,0,0]=3 221 B11R0.32 C=C(C)CC(NC(=O)C)C(=O)O MCULE-7639004071 [1,1,0,0,0,0|0,0,1]=3 222 B11R0.32 C=C(C)C[C@H](NC(=O)C)C(=O)O MCULE-8601164722 [1,1,0,0,0,0|0,0,1]=3 223 B11R0.32 C=C(C)C[C@H](NC(=O)C)C(=O)O MCULE-8880296601 [1,1,0,0,0,0|0,0,1]=3 224 B11R0.32 CC(=O)NC(CC(=O)N)C(=O)O MCULE-4878635005 [1,1,0,0,0,0|0,1,1]=4 225 B11R0.32 CC(=O)NC(CC(=O)O)C(=O)O MCULE-8912395007 [1,1,0,0,0,0|0,1,1]=4 226 B11R0.32 CC(=O)NC(CC(C)C)C(=O)O MCULE-7375828849 [1,1,0,0,0,0|0,0,0]=2 227 B11R0.32 CC(=O)NC(CC(C)C)C(=O)O MCULE-8541961335 [1,1,0,0,0,0|0,0,0]=2 228 B11R0.32 CC(=O)N[C@@H](CC(=O)N)C(=O)O MCULE-4594531393 [1,1,0,0,0,0|0,1,1]=4 229 B11R0.32 CC(=O)N[C@@H](CC(=O)O)C(=O)O MCULE-2346017798 [1,1,0,0,0,0|0,1,1]=4 230 B11R0.32 CC(=O)N[C@@H](CC(=O)O)C(=O)O MCULE-5208660790 [1,1,0,0,0,0|0,1,1]=4 231 B11R0.32 CC(=O)N[C@@H](CC(C)C)C(=O)N MCULE-4463344668 [1,1,0,0,0,0|1,0,0]=3 232 B11R0.32 CC(=O)N[C@@H](CC(C)C)C(=O)N MCULE-7246349713 [1,1,0,0,0,0|1,0,0]=3 233 B11R0.32 CC(=O)N[C@@H](CC(C)C)C(=O)O MCULE-3541053611 [1,1,0,0,0,0|0,0,0]=2 234 B11R0.32 CC(=O)N[C@@H](CC(C)C)C(=O)O MCULE-9082534218 [1,1,0,0,0,0|0,0,0]=2 235 B11R0.32 CC(=O)N[C@H](CC(=O)N)C(=O)O MCULE-2258546008 [1,1,0,0,0,0|0,1,1]=4 236 B11R0.32 CC(=O)N[C@H](CC(=O)N)C(=O)O MCULE-5563097482 [1,1,0,0,0,0|0,1,1]=4 237 B11R0.32 CC(=O)N[C@H](CC(C)C)C(=O)O MCULE-8998784853 [1,1,0,0,0,0|0,0,0]=2 238 B11R0.32 CC(=O)S[C@@H](CC(C)C)C(=O)O MCULE-8202562834 [1,1,0,0,0,0|1,0,0]=3 239 B11R0.32 CC(C)CC(CC(=O)O)C(=O)O MCULE-4610463681 [1,1,0,0,0,0|2,0,0]=4 240 B11R0.32 CC(C)CC(NC(=O)N)C(=O)O MCULE-3278114292 [1,1,0,0,0,0|1,0,0]=3 241 B11R0.32 CC(C)C[C@H](NC(=O)N)C(=O)O MCULE-3333503554 [1,1,0,0,0,0|1,0,0]=3 242 B11R0.32 CC(C)C[C@H](NC(C)C)C(=O)O MCULE-8416697546 [1,1,0,0,0,0|1,0,1]=4 243 B11R0.32 [C@@H](CC(=O)N)(NC(=O)C)C(=O)O MCULE-3763271453 [1,1,0,0,0,0|0,1,1]=4 244 B11R0.32 [C@H](CC(C)C)(NC(=O)C)C(=O)O MCULE-9509726558 [1,1,0,0,0,0|0,0,0]=2 245 B11R0.39 COC(=O)C(CCBr)OC(=O)C MCULE-9434144963 [1,1,0,0,0,0|2,0,0]=4 246 B11R0.39 COC(=O)C(CCBr)SC(=O)C MCULE-8807713531 [1,1,0,0,0,0|2,0,0]=4 247 B11R0.115 CCC(C)C(NC(=O)C)C(=O)N MCULE-3436837406 [1,1,0,0,0,0|1,0,0]=3 248 B11R0.115 CCC(C)C(NC(=O)C)C(=O)O MCULE-4181667774 [1,1,0,0,0,0|0,0,0]=2 249 B11R0.115 CC[C@H](C)[C@@H](NC(=O)C)C(=O)O MCULE-5204918668 [1,1,0,0,0,0|0,0,0]=2 250 B11R0.115 CC[C@H](C)[C@H](NC(=O)C)C(=O)N MCULE-3623918080 [1,1,0,0,0,0|1,0,0]=3 251 B11R0.115 CC[C@H](C)[C@H](NC(=O)C)C(=O)N MCULE-5822222988 [1,1,0,0,0,0|1,0,0]=3 252 B11R0.115 CC[C@H](C)[C@H](NC(=O)C)C(=O)O MCULE-1874701839 [1,1,0,0,0,0|0,0,0]=2 253 B11R0.115 CC[C@H](C)[C@H](NC(=O)C)C(=O)O MCULE-2741794137 [1,1,0,0,0,0|0,0,0]=2 254 B11R0.115 CC[C@H](C)[C@H](NC(=O)C)C(=O)O MCULE-6557323131 [1,1,0,0,0,0|0,0,0]=2 255 B11R0.115 [C@@H](C)(CC)[C@@H](NC(=O)C)C(=O)O MCULE-5237529088 [1,1,0,0,0,0|0,0,0]=2 256 B11R0.115 [C@@H](NC(=O)C)(C(=O)O)C(C)CC MCULE-8702697039 [1,1,0,0,0,0|0,0,0]=2 257 B11R0.115 [C@@H](NC(=O)N)(C(=O)O)C(C)CC MCULE-3282905656 [1,1,0,0,0,0|1,0,0]=3 258 B11R0.115 [C@H](C)(CC)[C@@H](NC(=O)C)C(=O)O MCULE-2360572915 [1,1,0,0,0,0|0,0,0]=2 259 B11R0.236 C=CCC(NC(=O)OC)C(=O)O MCULE-2603702971 [1,1,0,0,0,0|0,0,2]=4 260 B11R0.236 C=CC[C@H](NC(=O)OC)C(=O)O MCULE-2015140127 [1,1,0,0,0,0|0,0,2]=4 261 B11R0.236 C=CC[C@H](NC(=O)OC)C(=O)O MCULE-3332528356 [1,1,0,0,0,0|0,0,2]=4 262 B11R0.236 CCCC(NC(=O)CCl)C(=O)O MCULE-4178827028 [1,1,0,0,0,0|0,0,0]=2 263 B11R0.236 CCCC(NC(=O)CN)C(=O)O MCULE-3680152818 [1,1,0,0,0,0|0,0,0]=2 264 B11R0.236 CCC[C@H](NC(=O)CCl)C(=O)O MCULE-2223443521 [1,1,0,0,0,0|0,0,0]=2 265 B11R0.38 COC(=O)[C@H](CCSC)N=C=O MCULE-4341285806 [1,1,0,0,0,0|0,0,2]=4 266 B11R0.38 COC(=O)[C@H](CCSC)N=C=O MCULE-5038135853 [1,1,0,0,0,0|0,0,2]=4 267 B11R0.78 CCSCCC(NC=O)C(=O)O MCULE-4482021526 [1,1,0,0,0,0|0,0,0]=2 268 B11R0.78 NCCCC[C@H](NC=O)C(=O)O MCULE-9458118624 [1,1,0,0,0,0|1,0,0]=3 269 B11R0.146 NC(=O)CCC(NC=O)C(=O)O MCULE-5875375171 [1,1,0,0,0,0|2,0,0]=4 270 B11R0.28 CC(=O)CCC(C(=O)C)C(=O)C MCULE-3780673236 [0,1,0,0,1,0|2,0,0]=4 271 B11R0.153 CCCCCC(C(=O)C)C(=O)C MCULE-5667336413 [0,1,0,0,1,0|2,0,0]=4 272 B11R0.153 CCCCCC(C(=O)O)C(=O)O MCULE-4295713715 [0,1,0,0,1,0|2,0,0]=4 273 B13R0.160 CSCCC(NC(=O)C(C)N)C(=O)O MCULE-8637859348 [0,1,0,0,0,1|1,0,1]=4 274 B13R0.160 [C@@H](C)(N)C(=O)N[C@@H](CCSC)C(=O)O MCULE-9563309371 [0,1,0,0,0,1|1,0,1]=4 275 B13R0.146 CNC(=O)C(CCCCN)NC(=O)C MCULE-6453747716 [0,2,0,0,0,0|2,0,0]=4 276 B13R0.146 CNC(=O)[C@H](CCCCN)NC(=O)C MCULE-6187360948 [0,2,0,0,0,0|2,0,0]=4 277 B13R0.146 CNC(=O)[C@H](CCCCN)NC(=O)C MCULE-6759426301 [0,2,0,0,0,0|2,0,0]=4 278 B13R0.146 COC(=O)C(CCCCN)NC(=O)C MCULE-7178023186 [0,2,0,0,0,0|1,0,0]=3 279 B13R0.146 COC(=O)C(CCCCN)NC(=O)C MCULE-9236817853 [0,2,0,0,0,0|1,0,0]=3 280 B13R0.146 COC(=O)[C@H](CCCCN)NC(=O)C MCULE-1638397164 [0,2,0,0,0,0|1,0,0]=3 281 B13R0.146 COC(=O)[C@H](CCCCN)NC(=O)C MCULE-1851115662 [0,2,0,0,0,0|1,0,0]=3 282 B13R0.146 COC(=O)[C@H](CCCCN)NC(=O)C MCULE-6278544015 [0,2,0,0,0,0|1,0,0]=3 283 B13R0.146 COC(=O)[C@H](CCCCN)NC(=O)C MCULE-6466553390 [0,2,0,0,0,0|1,0,0]=3 284 B13R0.211 CCCCNC(CC(=O)OC)C(=O)O MCULE-3581782728 [0,2,0,0,0,0|2,0,0]=4 285 B13R0.211 NCCCC[C@H](NC(=O)CN)C(=O)O MCULE-1894751488 [0,2,0,0,0,0|1,0,0]=3 286 B13R0.281 CC(=O)NC(CSCCC#N)C(=O)O MCULE-6154619352 [0,2,0,0,0,0|1,0,1]=4 287 B13R0.281 CCSCCSC(CC(=O)O)C(=O)O MCULE-3638690015 [0,2,0,0,0,0|2,0,0]=4 288 B13R0.281 CSCCCCC(NC(=O)C)C(=O)O MCULE-5545345069 [0,2,0,0,0,0|0,0,0]=2 289 B13R0.432 CNC(=O)SCC(NC(=O)C)C(=O)O MCULE-8768637303 [0,2,0,0,0,0|1,0,1]=4 290 B13R0.432 CNC(=O)SC[C@H](NC(=O)C)C(=O)O MCULE-9033903226 [0,2,0,0,0,0|1,0,1]=4 291 B13R0.1531 CCS(=O)(=O)NC(CCSC)C(=O)O MCULE-8452195108 [0,2,0,0,0,0|1,0,0]=3 292 B13R0.253 COC(=O)C(CCC(=O)O)NC(=O)C MCULE-5671718877 [0,2,0,0,0,0|2,0,0]=4 293 B13R0.253 COC(=O)C(CSC(=O)C)NC(=O)C MCULE-6436516197 [0,2,0,0,0,0|2,0,0]=4 294 B13R0.253 COC(=O)[C@H](CCC(=O)O)NC(=O)C MCULE-1802205404 [0,2,0,0,0,0|2,0,0]=4 295 B13R0.253 COC(=O)[C@H](CCC(=O)O)NC(=O)C MCULE-9268797259 [0,2,0,0,0,0|2,0,0]=4 296 B13R0.253 COC(=O)[C@H](CSC(=O)C)NC(=O)C MCULE-5779086310 [0,2,0,0,0,0|2,0,0]=4 297 B13R0.617 CC(=O)NC(C)(CCC(C)C)C(=O)O MCULE-5660861073 [0,2,0,0,0,0|1,0,0]=3 298 B13R0.630 CC(=O)NC(CCP(=O)(C)O)C(=O)O MCULE-9863750171 [0,2,0,0,0,0|1,0,0]=3 299 B13R0.630 CC(=O)NC(CCP(=O)(C)[O-])C(=O)[O-] MCULE-3076098681 [0,2,0,0,0,0|1,0,1]=4 300 B13R0.630 CC(=O)NC(COC(C)(C)C)C(=O)O MCULE-6710270581 [0,2,0,0,0,0|2,0,0]=4 301 B13R0.630 CC(=O)N[C@@H](COC(C)(C)C)C(=O)O MCULE-1906987843 [0,2,0,0,0,0|2,0,0]=4 302 B13R0.630 CC(=O)N[C@@H](COC(C)(C)C)C(=O)O MCULE-7342745657 [0,2,0,0,0,0|2,0,0]=4 303 B13R0.200 COC(=O)CC(NC(=O)C)C(=O)OC MCULE-1041942263 [0,2,0,0,0,0|0,1,1]=4 304 B13R0.200 COC(=O)C[C@H](NC(=O)C)C(=O)OC MCULE-3087023541 [0,2,0,0,0,0|0,1,1]=4 305 B13R0.200 COC(=O)C[C@H](NC(=O)C)C(=O)OC MCULE-7154170686 [0,2,0,0,0,0|0,1,1]=4 306 B13R0.159 CCOC(=O)C(CCSC)NC(=O)C MCULE-1212846842 [0,2,0,0,0,0|0,0,0]=2 307 B13R0.501 COCCC(C)(NC(=O)C)C(=O)OC MCULE-3835956227 [0,2,0,0,0,0|0,1,0]=3 308 B11R1.74 CC1CC(NC(=S)N1)C(=O)O MCULE-6244565305 [1,0,0,1,0,0|1,1,0]=4 309 B11R1.74 C[C@@H]1C[C@H](NC(=S)N1)C(=O)O MCULE-3527131237 [1,0,0,1,0,0|1,1,0]=4 310 B11R1.74 C[C@@H]1C[C@H](NC(=S)N1)C(=O)O MCULE-5042056278 [1,0,0,1,0,0|1,1,0]=4 311 B11R1.86 CC(=O)CC1CCCCC1=O MCULE-3575915774 [1,0,0,1,0,0|2,0,0]=4 312 B11R1.178 CC(=O)N1CCCC1B(O)O MCULE-9036310065 [1,0,0,1,0,0|1,0,1]=4 313 B11R1.178 CC(=O)N1CCCC1C(=O)N MCULE-3826239589 [1,0,0,1,0,0|1,0,0]=3 314 B11R1.178 CC(=O)N1CCCC1C(=O)O MCULE-1813411528 [1,0,0,1,0,0|0,0,0]=2 315 B11R1.178 CC(=O)N1CCCC1C(=O)O MCULE-9022800854 [1,0,0,1,0,0|0,0,0]=2 316 B11R1.178 CC(=O)N1CCCC1C(=S)N MCULE-4542195039 [1,0,0,1,0,0|1,1,0]=4 317 B11R1.178 CC(=O)N1CCC[C@@H]1C(=O)O MCULE-1405603447 [1,0,0,1,0,0|0,0,0]=2 318 B11R1.178 CC(=O)N1CCC[C@@H]1C(=O)O MCULE-9216589773 [1,0,0,1,0,0|0,0,0]=2 319 B11R1.178 CC(=O)N1CCC[C@H]1C(=N)N MCULE-1919864106 [1,0,0,1,0,0|2,0,0]=4 320 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)N MCULE-2667654412 [1,0,0,1,0,0|1,0,0]=3 321 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)N MCULE-3510789923 [1,0,0,1,0,0|1,0,0]=3 322 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)O MCULE-1169221802 [1,0,0,1,0,0|0,0,0]=2 323 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)O MCULE-9915147289 [1,0,0,1,0,0|0,0,0]=2 324 B11R1.178 CC(=O)N1CCS[C@H]1C(=O)O MCULE-1643107830 [1,0,0,1,0,0|1,0,0]=3 325 B11R1.178 CC(=O)N1CSCC1C(=O)O MCULE-6153628068 [1,0,0,1,0,0|0,0,0]=2 326 B11R1.178 CC(=O)N1CSCC1C(=O)O MCULE-9095175540 [1,0,0,1,0,0|0,0,0]=2 327 B11R1.178 CC(=O)N1CSC[C@@H]1C(=O)O MCULE-5248938328 [1,0,0,1,0,0|0,0,0]=2 328 B11R1.178 CC(=O)N1CSC[C@H]1C(=O)O MCULE-4068934366 [1,0,0,1,0,0|0,0,0]=2 329 B11R1.178 CC(=O)N1CSC[C@H]1C(=O)O MCULE-8624310818 [1,0,0,1,0,0|0,0,0]=2 330 B11R1.178 CC(C)N1CCCC1C(=O)O MCULE-2119413242 [1,0,0,1,0,0|1,0,1]=4 331 B11R1.178 CC(C)N1CCCC1C(=O)O MCULE-6929026583 [1,0,0,1,0,0|1,0,1]=4 332 B11R1.178 CC(C)N1CCC[C@@H]1C(=O)O MCULE-8319338511 [1,0,0,1,0,0|1,0,1]=4 333 B11R1.178 CC(C)N1CCC[C@@H]1C(=O)O MCULE-8583036106 [1,0,0,1,0,0|1,0,1]=4 334 B11R1.178 CC(C)N1CCC[C@H]1C(=O)O MCULE-7602604909 [1,0,0,1,0,0|1,0,1]=4 335 B11R1.178 CC(C)N1CCC[C@H]1C(=O)O MCULE-9348214683 [1,0,0,1,0,0|1,0,1]=4 336 B11R1.178 N=C(N)N1CCCC1C(=O)O MCULE-4919079296 [1,0,0,1,0,0|2,0,0]=4 337 B11R1.178 NC(=O)N1CCCC1C(=O)O MCULE-2099814008 [1,0,0,1,0,0|1,0,0]=3 338 B11R1.178 NC(=O)N1CCC[C@H]1C(=O)O MCULE-1581234645 [1,0,0,1,0,0|1,0,0]=3 339 B11R1.178 NC(=O)N1CCC[C@H]1C(=O)O MCULE-2695707693 [1,0,0,1,0,0|1,0,0]=3 340 B11R1.178 NC(=S)N1CCCC1C(=O)O MCULE-7138642484 [1,0,0,1,0,0|1,1,0]=4 341 B11R1.178 O=C(O)C1CCCC1C(=O)O MCULE-1370613174 [1,0,0,1,0,0|2,0,0]=4 342 B11R1.178 O=C(O)[C@@H]1CCCN1C(=O)O MCULE-1970767326 [1,0,0,1,0,0|1,0,0]=3 343 B11R1.178 O=C(O)[C@@H]1CCC[C@H]1C(=O)O MCULE-5772739452 [1,0,0,1,0,0|2,0,0]=4 344 B11R1.178 O=C(O)[C@@H]1CCC[C@H]1C(=O)O MCULE-6923663809 [1,0,0,1,0,0|2,0,0]=4 345 B11R1.178 O=C(O)[C@H]1CCC[C@H]1C(=O)O MCULE-2898188373 [1,0,0,1,0,0|2,0,0]=4 346 B11R1.497 CC(=O)C1CCCCC(=O)C1 MCULE-8090726810 [1,0,0,1,0,0|2,0,0]=4 347 B11R1.497 NC(=O)C1CSCCC(=O)N1 MCULE-9167752507 [1,0,0,1,0,0|1,0,0]=3 348 B11R1.497 O=C1CCCCC(C1)C(=O)O MCULE-7646723801 [1,0,0,1,0,0|1,0,0]=3 349 B11R1.497 O=C1CCCCC(N1)C(=O)O MCULE-3462654668 [1,0,0,1,0,0|0,0,0]=2 350 B11R1.497 O=C1CCSCC(N1)C(=O)O MCULE-1237852498 [1,0,0,1,0,0|0,0,0]=2 351 B11R1.645 CC(=O)NC1CC(=O)OC1=O MCULE-4921755901 [1,0,0,1,0,0|0,1,1]=4 352 B11R1.929 CC(=O)CC1(CCC1)C(=O)O MCULE-7740494752 [1,0,0,1,0,0|1,0,0]=3 353 B11R1.929 CC(=O)NC1(CCC1)C(=O)O MCULE-6384958791 [1,0,0,1,0,0|0,0,0]=2 354 B11R1.929 O=C(O)CC1(CCC1)C(=O)O MCULE-5638680542 [1,0,0,1,0,0|2,0,0]=4 355 B11R1.53 CC(=O)N1CCCCC1C=O MCULE-8257381218 [1,0,0,1,0,0|1,0,0]=3 356 B11R1.53 CC(=O)N1CCCCC1CO MCULE-4895074095 [1,0,0,1,0,0|1,0,1]=4 357 B11R1.230 CCCCC1NC(=O)NC1=O MCULE-4511804745 [1,0,0,1,0,0|2,0,0]=4 358 B11R1.230 CCCCC1NC(=O)OC1=O MCULE-4116341118 [1,0,0,1,0,0|2,0,0]=4 359 B11R1.230 CCCC[C@@H]1NC(=O)OC1=O MCULE-6325860341 [1,0,0,1,0,0|2,0,0]=4 360 B11R1.230 CSCCC1NC(=O)NC1=O MCULE-5345475869 [1,0,0,1,0,0|1,0,0]=3 361 B11R1.230 CSCCC1NC(=O)OC1=O MCULE-1269015052 [1,0,0,1,0,0|1,0,0]=3 362 B11R1.230 CSCC[C@@H]1NC(=O)OC1=O MCULE-9475248380 [1,0,0,1,0,0|1,0,0]=3 363 B11R1.230 CSCC[C@H]1NC(=O)OC1=O MCULE-9206796639 [1,0,0,1,0,0|1,0,0]=3 364 B11R1.21 CC1=C(CC(CC1)C(=O)O)C MCULE-6601751883 [1,0,0,1,0,0|2,0,0]=4 365 B11R1.21 CC1SCC(NC1=O)C(=O)O MCULE-5715274470 [1,0,0,1,0,0|2,0,0]=4 366 B11R1.21 CN1CCC(CC1=O)C(=O)O MCULE-7427834297 [1,0,0,1,0,0|2,0,0]=4 367 B11R1.21 CN1CC[C@@H](CC1=O)C(=O)O MCULE-5366315291 [1,0,0,1,0,0|2,0,0]=4 368 B11R1.21 CN1CC[C@@H](CC1=O)C(=O)O MCULE-9736243500 [1,0,0,1,0,0|2,0,0]=4 369 B11R1.193 CCCC1CCNC1C(=O)O MCULE-3288508053 [1,0,0,1,0,0|1,0,1]=4 370 B11R1.193 CCCC1CCNC1C(=O)O MCULE-8057933085 [1,0,0,1,0,0|1,0,1]=4 371 B11R1.266 COC1CCNC(C1)C(=O)O MCULE-4331709048 [1,0,0,1,0,0|0,1,1]=4 372 B11R1.266 COC1CCNC(C1)C(=O)O MCULE-4664523841 [1,0,0,1,0,0|0,1,1]=4 373 B11R1.266 CO[C@@H]1CCN[C@@H](C1)C(=O)O MCULE-3625899999 [1,0,0,1,0,0|0,1,1]=4 374 B11R1.266 CO[C@@H]1CCN[C@H](C1)C(=O)O MCULE-5992517897 [1,0,0,1,0,0|0,1,1]=4 375 B11R1.266 CO[C@H]1CCN[C@@H](C1)C(=O)O MCULE-9935444947 [1,0,0,1,0,0|0,1,1]=4 376 B11R1.266 CO[C@H]1CCN[C@H](C1)C(=O)O MCULE-1244366233 [1,0,0,1,0,0|0,1,1]=4 377 B11R1.706 O=C(O)C1CCCCCCN1 MCULE-2852082428 [1,0,0,1,0,0|1,0,1]=4 378 B11R1.706 O=C(O)C1CCCCCCN1 MCULE-2931630393 [1,0,0,1,0,0|1,0,1]=4 379 B11R1.259 CCC1CC1(C(=O)O)C(=O)O MCULE-9719265585 [0,0,0,1,1,0|2,0,0]=4 380 B11R1.669 CC1CCC1(C(=O)O)C(=O)O MCULE-6885969973 [0,0,0,1,1,0|2,0,0]=4 381 B11R1.721 O=C(O)C(C(=O)O)C1CCC1 MCULE-1129101822 [0,0,0,1,1,0|2,0,0]=4 382 B11R1.1385 CN(C)C1(CCSC1)C(=O)O MCULE-5588121920 [0,0,0,1,1,0|2,0,0]=4 383 B11R1.1385 NC(=O)C1(CCCC1)C(=O)O MCULE-1628041900 [0,0,0,1,1,0|2,0,0]=4 384 B11R1.1385 O=C(O)C1(CCCC1)C(=O)O MCULE-1176845799 [0,0,0,1,1,0|2,0,0]=4 385 B13R1.1060 CC(=O)N1CCOCC(C1)C(=O)O MCULE-6902027439 [0,0,0,1,0,1|2,0,0]=4 386 B13R1.1113 CC(=O)NC(C(=O)O)C1CCCC1 MCULE-6032926047 [0,1,0,1,0,0|1,0,0]=3 387 B13R1.1113 CC(=O)N[C@@H](C(=O)O)C1CCCC1 MCULE-1027152447 [0,1,0,1,0,0|1,0,0]=3 388 B13R1.1113 CC(=O)N[C@H](C(=O)O)C1CCCC1 MCULE-6619496634 [0,1,0,1,0,0|1,0,0]=3 389 B13R1.1113 [C@H](NC(=O)C)(C(=O)O)C1CCCC1 MCULE-6451826717 [0,1,0,1,0,0|1,0,0]=3 390 B13R1.1082 CC(=O)N1CCCCCC1C(=O)O MCULE-5244297135 [0,1,0,1,0,0|1,0,0]=3 391 B13R1.8842 CC(=O)NC1(CCCCC1)C(=O)O MCULE-5643490570 [0,1,0,1,0,0|1,0,0]=3 392 B13R1.8842 CC(=O)NC1(CCNCC1)C(=O)O MCULE-1892324663 [0,1,0,1,0,0|1,0,0]=3 393 B13R1.8842 NC(=O)NC1(CCCCC1)C(=O)O MCULE-4979682862 [0,1,0,1,0,0|2,0,0]=4 394 B13R1.8853 CC(=O)NC(CC1CCC1)C(=O)O MCULE-2511459560 [0,1,0,1,0,0|1,0,0]=3 395 B13R1.8853 CC(=O)N[C@H](CC1CCC1)C(=O)O MCULE-3002179001 [0,1,0,1,0,0|1,0,0]=3 396 B13R1.349 CS(=O)(=O)N1CCCCC1C(=O)O MCULE-9341873003 [0,1,0,1,0,0|2,0,0]=4 397 B13R1.527 O=C(CCl)NC1CCCCNC1=O MCULE-7112126049 [0,1,0,1,0,0|2,0,0]=4 398 B13R1.547 CCC(=O)N1CCCCC1C(=O)O MCULE-5558143237 [0,1,0,1,0,0|1,0,0]=3 399 B13R1.547 CNC(=O)C1CCCCC1C(=O)O MCULE-6119100727 [0,1,0,1,0,0|2,0,0]=4 400 B13R1.547 COC(=O)C1CCCCC1C(=O)O MCULE-7350983967 [0,1,0,1,0,0|2,0,0]=4 401 B13R1.547 COC(=O)C1CCCCN1C(=O)C MCULE-6692271710 [0,1,0,1,0,0|1,0,0]=3 402 B13R1.547 COC(=O)C1CNCCN1C(=O)C MCULE-3855460847 [0,1,0,1,0,0|2,0,0]=4 403 B13R1.547 COC(=O)C1CNCCN1C(=O)C MCULE-8641825512 [0,1,0,1,0,0|2,0,0]=4 404 B13R1.547 COC(=O)N1CCCCC1C(=O)O MCULE-3700833208 [0,1,0,1,0,0|1,0,0]=3 405 B13R1.547 COC(=O)[C@@H]1CCCC[C@@H]1C(=O)O MCULE-1557830756 [0,1,0,1,0,0|2,0,0]=4 406 B13R1.547 COC(=O)[C@@H]1CCCC[C@H]1C(=O)O MCULE-4205408536 [0,1,0,1,0,0|2,0,0]=4 407 B13R1.547 COC(=O)[C@@H]1CCCC[C@H]1C(=O)O MCULE-9120944854 [0,1,0,1,0,0|2,0,0]=4 408 B13R1.547 COC(=O)[C@H]1CCCC[C@@H]1C(=O)O MCULE-1305629315 [0,1,0,1,0,0|2,0,0]=4 409 B13R1.547 COC(=O)[C@H]1CCCC[C@@H]1C(=O)O MCULE-7753088653 [0,1,0,1,0,0|2,0,0]=4 410 B13R1.547 COC(=O)[C@H]1CCCC[C@H]1C(=O)O MCULE-9394786545 [0,1,0,1,0,0|2,0,0]=4 411 B13R1.547 COC(=O)[C@H]1CCCC[C@H]1C(=O)O MCULE-9635559361 [0,1,0,1,0,0|2,0,0]=4 412 B13R1.547 NC(=O)C1CCCCN1C(=O)CCl MCULE-3587020643 [0,1,0,1,0,0|2,0,0]=4 413 B13R1.547 O=C(O)C1CCCCN1C(=O)CCl MCULE-7066659517 [0,1,0,1,0,0|1,0,0]=3 414 B13R1.4930 CNC(=O)NC1(CCCC1)C(=O)O MCULE-3731700802 [0,1,0,1,0,0|1,0,0]=3 415 B13R1.4930 COC(=O)NC1(CCCC1)C(=O)O MCULE-1210302335 [0,1,0,1,0,0|1,0,0]=3 416 B13R1.4930 O=C(CCl)NC1(CCCC1)C(=O)O MCULE-4379639113 [0,1,0,1,0,0|1,0,0]=3 417 B13R1.6212 COC(=O)NC(C(=O)O)C1COC1 MCULE-6542591958 [0,1,0,1,0,0|0,1,0]=3 418 B13R1.1688 COC(=O)C1CCCCCC(=O)C1 MCULE-8831431067 [0,1,0,1,0,0|2,0,0]=4 419 B13R1.4661 CC(=O)NC1(CCCC1)/C(=N/O)/N MCULE-8764826427 [0,1,0,1,0,0|2,0,0]=4 420 B13R1.4661 COC(=O)C1(CCCC1)OC(=O)C MCULE-5354950182 [0,1,0,1,0,0|2,0,0]=4 421 B13R1.1091 CC(=O)N1CCCCC1(C)C(=O)O MCULE-5551467879 [0,1,0,1,0,0|1,0,0]=3 422 B13R2.371 O=C1NCC(=O)N2C1CCCC2 MCULE-8282743420 [0,0,0,2,0,0|2,0,0]=4 423 B13R2.371 O=C1NCC(=O)N2[C@@H]1CCCC2 MCULE-7367782746 [0,0,0,2,0,0|2,0,0]=4 424 B13R2.7172 O=C1CNC(=O)C2(N1)CCOC2 MCULE-1951234373 [0,0,0,2,0,0|1,1,0]=4 425 B13R2.3749 O=C(O)C1CCC2N1C(=O)CC2 MCULE-3981469337 [0,0,0,2,0,0|1,0,0]=3 426 B9R0.33 CCCC(C(=O)O)C(=O)O MCULE-5699074158 [1,0,0,0,1,0|1,0,0]=3 427 B9R0.33 CCCC(C(=O)O)C(C)C MCULE-9298455866 [1,0,0,0,1,0|1,0,1]=4 428 B9R0.33 CCCC(C(=O)O)N(C)C MCULE-1361270877 [1,0,0,0,1,0|2,0,0]=4 429 B9R0.33 CCC[C@@H](C(=O)O)N(C)C MCULE-5821588618 [1,0,0,0,1,0|2,0,0]=4 430 B9R0.33 CCC[C@@H](C(=O)O)N(C)C MCULE-6045614611 [1,0,0,0,1,0|2,0,0]=4 431 B9R0.33 CCC[C@H](C(=O)O)N(C)C MCULE-3627937276 [1,0,0,0,1,0|2,0,0]=4 432 B9R0.33 CCC[C@H](C(=O)O)N(C)C MCULE-6264285545 [1,0,0,0,1,0|2,0,0]=4 433 B11R0.35 CCCC(CC(=O)O)CC(=O)O MCULE-6540318880 [1,0,0,0,0,1|2,0,0]=4 434 B11R0.164 COC(CCSC)CNC(=O)C MCULE-7318723851 [1,0,0,0,0,1|2,0,0]=4 435 B13R0.1298 CSCCC(NCCC(C)C)C(=O)O MCULE-1723443391 [0,0,0,0,0,2|1,0,1]=4 436 B13R0.1298 CSCCC(NCCC(C)C)C(=O)O MCULE-3499760009 [0,0,0,0,0,2|1,0,1]=4