0 B9R0.57 C=C(CS(=O)(=O)C)C(=O)O MCULE-8684596223 [0,0,0,0,0,0|2,0,1]=3 1 B9R0.57 CC(C)(C)CC(N)C(=O)O MCULE-1846409149 [0,0,0,0,0,0|4,0,0]=4 2 B9R0.57 CC(C)(C)CC(N)C(=O)O MCULE-6496394437 [0,0,0,0,0,0|4,0,0]=4 3 B9R0.57 CC(C)(C)CC(N)C(=O)O MCULE-6507277407 [0,0,0,0,0,0|4,0,0]=4 4 B9R0.57 CC(C)(C)C[C@@H](N)C(=O)O MCULE-6215032420 [0,0,0,0,0,0|4,0,0]=4 5 B9R0.57 CC(C)(C)C[C@@H](N)C(=O)O MCULE-8005575699 [0,0,0,0,0,0|4,0,0]=4 6 B9R0.57 CC(C)(C)C[C@H](N)C(=O)O MCULE-1515081556 [0,0,0,0,0,0|4,0,0]=4 7 B9R0.57 CC(C)(C)C[C@H](N)C(=O)O MCULE-3358775275 [0,0,0,0,0,0|4,0,0]=4 8 B9R0.57 CC(C)(F)CC(N)C(=O)O MCULE-2499553394 [0,0,0,0,0,0|4,0,0]=4 9 B9R0.57 CC(C)(F)C[C@H](N)C(=O)O MCULE-2670827731 [0,0,0,0,0,0|4,0,0]=4 10 B9R0.57 CC(C)(F)C[C@H](N)C(=O)O MCULE-7946625431 [0,0,0,0,0,0|4,0,0]=4 11 B9R0.57 CC(C)(O)CC(N)C(=O)[O-] MCULE-2378112153 [0,0,0,0,0,0|3,0,1]=4 12 B9R0.57 CC(C)(O)CC(N)C(=O)[O-] MCULE-2969041989 [0,0,0,0,0,0|3,0,1]=4 13 B9R0.57 CC(CS(=O)(=O)C)C(=O)O MCULE-2992876868 [0,0,0,0,0,0|2,0,0]=2 14 B9R0.57 CC(NS(=O)(=O)C)C(=O)O MCULE-2056263094 [0,0,0,0,0,0|3,0,0]=3 15 B9R0.57 CC(OS(=O)(=O)C)C(=O)O MCULE-6814271322 [0,0,0,0,0,0|3,0,0]=3 16 B9R0.57 CS(=O)(=O)C[C@H](N)C(=O)O MCULE-1117561111 [0,0,0,0,0,0|1,0,0]=1 17 B9R0.57 CS(=O)(=O)C[C@H](N)C(=O)O MCULE-3044564695 [0,0,0,0,0,0|1,0,0]=1 18 B9R0.57 C[C@@H](OS(=O)(=O)C)C(=O)O MCULE-3187136828 [0,0,0,0,0,0|3,0,0]=3 19 B9R0.57 C[C@H](OS(=O)(=O)C)C(=O)O MCULE-2778053479 [0,0,0,0,0,0|3,0,0]=3 20 B9R0.57 C[C@H](OS(=O)(=O)C)C(=O)O MCULE-4590226415 [0,0,0,0,0,0|3,0,0]=3 21 B9R0.57 C[Si](C)(C)C[C@H](N)C(=O)O MCULE-5057039244 [0,0,0,0,0,0|4,0,0]=4 22 B9R0.57 NC(CC(F)(F)F)C(=O)O MCULE-4670432872 [0,0,0,0,0,0|4,0,0]=4 23 B9R0.57 NC(CC(F)(F)F)C(=O)O MCULE-7906484739 [0,0,0,0,0,0|4,0,0]=4 24 B9R0.57 NC(CP(=O)(O)O)C(=O)O MCULE-3742656954 [0,0,0,0,0,0|1,0,1]=2 25 B9R0.57 NC(CS(=O)(=O)O)C(=O)O MCULE-3360025136 [0,0,0,0,0,0|0,0,0]=0 26 B9R0.57 NC(CS(=O)(=O)O)C(=O)O MCULE-4680118250 [0,0,0,0,0,0|0,0,0]=0 27 B9R0.57 N[C@@H](CC(F)(F)F)C(=O)O MCULE-3474800558 [0,0,0,0,0,0|4,0,0]=4 28 B9R0.57 N[C@@H](CC(F)(F)F)C(=O)O MCULE-5230934404 [0,0,0,0,0,0|4,0,0]=4 29 B9R0.57 N[C@@H](CC(F)(F)F)C(=O)O MCULE-6065207677 [0,0,0,0,0,0|4,0,0]=4 30 B9R0.57 N[C@@H](CC(F)(F)F)C(=O)O MCULE-6989845390 [0,0,0,0,0,0|4,0,0]=4 31 B9R0.57 N[C@@H](CP(=O)(O)O)C(=O)O MCULE-6935567843 [0,0,0,0,0,0|1,0,1]=2 32 B9R0.57 N[C@@H](CS(=O)(=O)O)C(=O)O MCULE-1558128725 [0,0,0,0,0,0|0,0,0]=0 33 B9R0.57 N[C@@H](CS(=O)(=O)O)C(=O)O MCULE-6109276112 [0,0,0,0,0,0|0,0,0]=0 34 B9R0.57 N[C@H](CC(F)(F)F)C(=O)O MCULE-1211212478 [0,0,0,0,0,0|4,0,0]=4 35 B9R0.57 N[C@H](CC(F)(F)F)C(=O)O MCULE-1864367361 [0,0,0,0,0,0|4,0,0]=4 36 B9R0.57 N[C@H](CC(F)(F)F)C(=O)O MCULE-4616647635 [0,0,0,0,0,0|4,0,0]=4 37 B9R0.57 N[C@H](CC(F)(F)F)C(=O)O MCULE-6212697927 [0,0,0,0,0,0|4,0,0]=4 38 B9R0.57 O=C(O)C(O)OP(=O)(O)O MCULE-2072428473 [0,0,0,0,0,0|3,0,1]=4 39 B8R0.23 C(N)(CC(C)C)C(=O)O MCULE-7664540924 [1,0,0,0,0,0|3,0,0]=4 40 B8R0.23 C(N)(CS(=O)C)C(=O)O MCULE-3320985154 [1,0,0,0,0,0|1,0,1]=3 41 B8R0.23 C=C(Br)CC(N)C(=O)O MCULE-2311003313 [1,0,0,0,0,0|3,0,0]=4 42 B8R0.23 C=C(Br)C[C@@H](N)C(=O)O MCULE-2061865879 [1,0,0,0,0,0|3,0,0]=4 43 B8R0.23 C=C(Br)C[C@@H](N)C(=O)O MCULE-6617690939 [1,0,0,0,0,0|3,0,0]=4 44 B8R0.23 C=C(Br)C[C@H](N)C(=O)O MCULE-2602336550 [1,0,0,0,0,0|3,0,0]=4 45 B8R0.23 C=C(Br)C[C@H](N)C(=O)O MCULE-9274484893 [1,0,0,0,0,0|3,0,0]=4 46 B8R0.23 C=C(C)C(N)CC(=O)O MCULE-5527747045 [1,0,0,0,0,0|3,0,0]=4 47 B8R0.23 C=C(C)CC(N)C(=O)O MCULE-5915882776 [1,0,0,0,0,0|3,0,0]=4 48 B8R0.23 C=C(C)C[C@@H](N)C(=O)O MCULE-2841714882 [1,0,0,0,0,0|3,0,0]=4 49 B8R0.23 C=C(C)C[C@H](N)C(=O)O MCULE-1029058491 [1,0,0,0,0,0|3,0,0]=4 50 B8R0.23 C=C(C)C[C@H](N)C(=O)O MCULE-6974720260 [1,0,0,0,0,0|3,0,0]=4 51 B8R0.23 C=C(CC(=O)O)C(=O)O MCULE-5221256796 [1,0,0,0,0,0|2,0,1]=4 52 B8R0.23 C=C(Cl)CC(N)C(=O)O MCULE-3498417929 [1,0,0,0,0,0|3,0,0]=4 53 B8R0.23 C=C(Cl)CC(N)C(=O)O MCULE-7451890779 [1,0,0,0,0,0|3,0,0]=4 54 B8R0.23 CC(=O)C(C)CC(=O)O MCULE-9095166615 [1,0,0,0,0,0|3,0,0]=4 55 B8R0.23 CC(=O)C(N)CC(=O)O MCULE-7043175556 [1,0,0,0,0,0|2,0,0]=3 56 B8R0.23 CC(=O)CC(C)C(=O)O MCULE-4640477792 [1,0,0,0,0,0|3,0,0]=4 57 B8R0.23 CC(=O)CC(N)C(=O)O MCULE-6275652695 [1,0,0,0,0,0|2,0,0]=3 58 B8R0.23 CC(=O)CC(N)C(=O)O MCULE-6690241894 [1,0,0,0,0,0|2,0,0]=3 59 B8R0.23 CC(=O)CC(O)C(=O)O MCULE-4728629069 [1,0,0,0,0,0|3,0,0]=4 60 B8R0.23 CC(C)CC(N)C(=O)O MCULE-2550986320 [1,0,0,0,0,0|3,0,0]=4 61 B8R0.23 CC(C)CC(N)C(=O)O MCULE-7657212416 [1,0,0,0,0,0|3,0,0]=4 62 B8R0.23 CC(C)C[C@@H](N)C(=O)O MCULE-3041792060 [1,0,0,0,0,0|3,0,0]=4 63 B8R0.23 CC(C)C[C@@H](N)C(=O)O MCULE-8280206722 [1,0,0,0,0,0|3,0,0]=4 64 B8R0.23 CC(C)C[C@H](N)C(=O)O MCULE-4718215038 [1,0,0,0,0,0|3,0,0]=4 65 B8R0.23 CC(C)C[C@H](N)C(=O)O MCULE-4930237913 [1,0,0,0,0,0|3,0,0]=4 66 B8R0.23 CC(C)C[C@H](N)C(=O)O MCULE-8722899457 [1,0,0,0,0,0|3,0,0]=4 67 B8R0.23 CC(CC(=O)N)C(=O)O MCULE-8238400356 [1,0,0,0,0,0|3,0,0]=4 68 B8R0.23 CC(CC(=O)O)C(=O)O MCULE-4824634360 [1,0,0,0,0,0|2,0,0]=3 69 B8R0.23 CC(CC(=O)O)C(=O)O MCULE-8116748590 [1,0,0,0,0,0|2,0,0]=3 70 B8R0.23 CC(CS(=O)C)C(=O)O MCULE-4855592077 [1,0,0,0,0,0|2,0,1]=4 71 B8R0.23 CC(O)C(N)CC(=O)O MCULE-5161755443 [1,0,0,0,0,0|2,0,1]=4 72 B8R0.23 CC(O)C(N)CC(=O)O MCULE-6370326858 [1,0,0,0,0,0|2,0,1]=4 73 B8R0.23 CN(C)CC(N)C(=O)O MCULE-4589211472 [1,0,0,0,0,0|3,0,0]=4 74 B8R0.23 CN(C)CC(N)C(=O)O MCULE-4873136690 [1,0,0,0,0,0|3,0,0]=4 75 B8R0.23 CN(C)C[C@@H](N)C(=O)O MCULE-7056570231 [1,0,0,0,0,0|3,0,0]=4 76 B8R0.23 CN(C)C[C@H](N)C(=O)O MCULE-1155351106 [1,0,0,0,0,0|3,0,0]=4 77 B8R0.23 CN(C)C[C@H](N)C(=O)O MCULE-2217543416 [1,0,0,0,0,0|3,0,0]=4 78 B8R0.23 CN(C)C[C@H](N)C(=O)O MCULE-6989814495 [1,0,0,0,0,0|3,0,0]=4 79 B8R0.23 CN(C)C[C@H](N)C(=O)O MCULE-7529109312 [1,0,0,0,0,0|3,0,0]=4 80 B8R0.23 CS(=O)CC(N)C(=O)O MCULE-5699602621 [1,0,0,0,0,0|1,0,1]=3 81 B8R0.23 CS(=O)C[C@@H](N)C(=O)O MCULE-8253087333 [1,0,0,0,0,0|1,0,1]=3 82 B8R0.23 CS(=O)C[C@H](N)C(=O)O MCULE-5080098254 [1,0,0,0,0,0|1,0,1]=3 83 B8R0.23 C[C@@H](CC(=O)O)C(=O)O MCULE-1711994689 [1,0,0,0,0,0|2,0,0]=3 84 B8R0.23 C[C@@H](CC(=O)O)C(=O)O MCULE-6107805812 [1,0,0,0,0,0|2,0,0]=3 85 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-1416044737 [1,0,0,0,0,0|2,0,1]=4 86 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-2990511228 [1,0,0,0,0,0|2,0,1]=4 87 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-3178455647 [1,0,0,0,0,0|2,0,1]=4 88 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-4413833682 [1,0,0,0,0,0|2,0,1]=4 89 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-7332826518 [1,0,0,0,0,0|2,0,1]=4 90 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-7552978009 [1,0,0,0,0,0|2,0,1]=4 91 B8R0.23 C[C@H](CC(=O)O)C(=O)O MCULE-2738295504 [1,0,0,0,0,0|2,0,0]=3 92 B8R0.23 C[C@H](CC(=O)O)C(=O)O MCULE-4544789339 [1,0,0,0,0,0|2,0,0]=3 93 B8R0.23 C[C@H](Cl)C[C@H](N)C(=O)O MCULE-5195061270 [1,0,0,0,0,0|3,0,0]=4 94 B8R0.23 C[C@H](Cl)C[C@H](N)C(=O)O MCULE-5975065356 [1,0,0,0,0,0|3,0,0]=4 95 B8R0.23 C[C@H](O)[C@@H](N)CC(=O)O MCULE-8673070329 [1,0,0,0,0,0|2,0,1]=4 96 B8R0.23 C[S@](=O)C[C@@H](N)C(=O)O MCULE-4004385080 [1,0,0,0,0,0|1,0,1]=3 97 B8R0.23 NC(=O)C(N)CC(=O)O MCULE-2277575843 [1,0,0,0,0,0|2,0,0]=3 98 B8R0.23 NC(=O)CC(Br)C(=O)O MCULE-2823539046 [1,0,0,0,0,0|3,0,0]=4 99 B8R0.23 NC(=O)CC(N)C(=O)O MCULE-1395307434 [1,0,0,0,0,0|2,0,0]=3 100 B8R0.23 NC(=O)C[C@@H](N)C(=O)N MCULE-7126009795 [1,0,0,0,0,0|3,0,0]=4 101 B8R0.23 NC(=O)C[C@@H](N)C(=O)O MCULE-5685974579 [1,0,0,0,0,0|2,0,0]=3 102 B8R0.23 NC(=O)C[C@@H](N)C(=O)O MCULE-6923060287 [1,0,0,0,0,0|2,0,0]=3 103 B8R0.23 NC(=O)C[C@H](N)C(=O)N MCULE-3049784970 [1,0,0,0,0,0|3,0,0]=4 104 B8R0.23 NC(=O)C[C@H](N)C(=O)N MCULE-6209092318 [1,0,0,0,0,0|3,0,0]=4 105 B8R0.23 NC(=O)C[C@H](N)C(=O)N MCULE-7482170747 [1,0,0,0,0,0|3,0,0]=4 106 B8R0.23 NC(=O)C[C@H](N)C(=O)N MCULE-8939291995 [1,0,0,0,0,0|3,0,0]=4 107 B8R0.23 NC(=O)C[C@H](N)C(=O)O MCULE-1868046141 [1,0,0,0,0,0|2,0,0]=3 108 B8R0.23 NC(=O)C[C@H](N)C(=O)O MCULE-8248953574 [1,0,0,0,0,0|2,0,0]=3 109 B8R0.23 NC(=O)N(N)CC(=O)O MCULE-2553509411 [1,0,0,0,0,0|3,0,0]=4 110 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-1924512659 [1,0,0,0,0,0|2,0,0]=3 111 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-5836180326 [1,0,0,0,0,0|2,0,0]=3 112 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-8799617587 [1,0,0,0,0,0|2,0,0]=3 113 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-9477928215 [1,0,0,0,0,0|2,0,0]=3 114 B8R0.23 NC(=O)[C@H](N)CC(=O)O MCULE-5316198498 [1,0,0,0,0,0|2,0,0]=3 115 B8R0.23 NC(=O)[C@H](N)CC(=O)O MCULE-9833023193 [1,0,0,0,0,0|2,0,0]=3 116 B8R0.23 NC(CC(=O)O)C(=O)O MCULE-1247865301 [1,0,0,0,0,0|1,0,0]=2 117 B8R0.23 NC(CC(=O)O)C(=O)O MCULE-9328817309 [1,0,0,0,0,0|1,0,0]=2 118 B8R0.23 NC(CC(=O)O)C(=O)[O-] MCULE-5149469296 [1,0,0,0,0,0|1,0,1]=3 119 B8R0.23 NC(CC(=O)O)C(=O)[O-] MCULE-6655576025 [1,0,0,0,0,0|1,0,1]=3 120 B8R0.23 NC(CC(=O)[O-])C(=O)O MCULE-9221777365 [1,0,0,0,0,0|1,0,1]=3 121 B8R0.23 NC(CC(=O)[O-])C(=O)[O-] MCULE-5331717218 [1,0,0,0,0,0|1,0,2]=4 122 B8R0.23 NC(CC(=O)[O-])C(=O)[O-] MCULE-5921707862 [1,0,0,0,0,0|1,0,2]=4 123 B8R0.23 NC(CC(F)F)C(=O)O MCULE-1880803967 [1,0,0,0,0,0|3,0,0]=4 124 B8R0.23 NC(CC(F)F)C(=O)O MCULE-7276277891 [1,0,0,0,0,0|3,0,0]=4 125 B8R0.23 N[C@@H](CC(=O)O)C(=O)O MCULE-3710241722 [1,0,0,0,0,0|1,0,0]=2 126 B8R0.23 N[C@@H](CC(=O)O)C(=O)O MCULE-6700641640 [1,0,0,0,0,0|1,0,0]=2 127 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] MCULE-6196524297 [1,0,0,0,0,0|1,0,1]=3 128 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)O MCULE-5793000569 [1,0,0,0,0,0|1,0,1]=3 129 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] MCULE-4019077430 [1,0,0,0,0,0|1,0,2]=4 130 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] MCULE-5586538224 [1,0,0,0,0,0|1,0,2]=4 131 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] MCULE-7845714288 [1,0,0,0,0,0|1,0,2]=4 132 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] MCULE-8320700728 [1,0,0,0,0,0|1,0,2]=4 133 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] MCULE-8905060145 [1,0,0,0,0,0|1,0,2]=4 134 B8R0.23 N[C@@H](CC(Cl)Cl)C(=O)O MCULE-9426370618 [1,0,0,0,0,0|3,0,0]=4 135 B8R0.23 N[C@@H](CC(F)F)C(=O)O MCULE-3232895455 [1,0,0,0,0,0|3,0,0]=4 136 B8R0.23 N[C@@H](CC(F)F)C(=O)O MCULE-3771092799 [1,0,0,0,0,0|3,0,0]=4 137 B8R0.23 N[C@@H](CC(F)F)C(=O)O MCULE-5990452255 [1,0,0,0,0,0|3,0,0]=4 138 B8R0.23 N[C@@H](CS(=O)O)C(=O)O MCULE-6647925908 [1,0,0,0,0,0|0,0,1]=2 139 B8R0.23 N[C@@H](CS(=O)O)C(=O)O MCULE-7596867929 [1,0,0,0,0,0|0,0,1]=2 140 B8R0.23 N[C@H](CC(=O)O)C(=O)O MCULE-8102700760 [1,0,0,0,0,0|1,0,0]=2 141 B8R0.23 N[C@H](CC(F)F)C(=O)O MCULE-2615133633 [1,0,0,0,0,0|3,0,0]=4 142 B8R0.23 N[C@H](CC(F)F)C(=O)O MCULE-4923641891 [1,0,0,0,0,0|3,0,0]=4 143 B8R0.23 O=C(O)CC(=O)C(=O)O MCULE-6059222019 [1,0,0,0,0,0|2,0,1]=4 144 B8R0.23 O=C(O)CC(Br)C(=O)O MCULE-8178780603 [1,0,0,0,0,0|2,0,0]=3 145 B8R0.23 O=C(O)CC(Cl)C(=O)O MCULE-6357456691 [1,0,0,0,0,0|2,0,0]=3 146 B8R0.23 O=C(O)CC(F)C(=O)O MCULE-8433198001 [1,0,0,0,0,0|2,0,0]=3 147 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-5852208511 [1,0,0,0,0,0|2,0,0]=3 148 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-9713558868 [1,0,0,0,0,0|2,0,0]=3 149 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-9924961830 [1,0,0,0,0,0|2,0,0]=3 150 B8R0.23 O=C(O)CC(S)C(=O)O MCULE-7005300961 [1,0,0,0,0,0|2,0,0]=3 151 B8R0.23 O=C(O)C[C@@H](Br)C(=O)O MCULE-4598056907 [1,0,0,0,0,0|2,0,0]=3 152 B8R0.23 O=C(O)C[C@@H](Br)C(=O)O MCULE-7861798045 [1,0,0,0,0,0|2,0,0]=3 153 B8R0.23 O=C(O)C[C@@H](O)C(=O)O MCULE-2239273084 [1,0,0,0,0,0|2,0,0]=3 154 B8R0.23 O=C(O)C[C@@H](O)C(=O)O MCULE-4984266891 [1,0,0,0,0,0|2,0,0]=3 155 B8R0.23 O=C(O)C[C@H](Br)C(=O)O MCULE-6763472515 [1,0,0,0,0,0|2,0,0]=3 156 B8R0.23 O=C(O)C[C@H](Br)C(=O)O MCULE-7524683930 [1,0,0,0,0,0|2,0,0]=3 157 B8R0.23 O=C(O)C[C@H](F)C(=O)O MCULE-9607625100 [1,0,0,0,0,0|2,0,0]=3 158 B8R0.23 O=C(O)C[C@H](O)C(=O)O MCULE-8339271078 [1,0,0,0,0,0|2,0,0]=3 159 B8R0.23 O=C(O)C[C@H](O)C(=O)O MCULE-8865188741 [1,0,0,0,0,0|2,0,0]=3 160 B8R0.23 O=C(O)C[C@H](O)C(=O)[O-] MCULE-1033530810 [1,0,0,0,0,0|2,0,1]=4 161 B8R0.23 O=C(O)C[C@H](S)C(=O)O MCULE-6393371024 [1,0,0,0,0,0|2,0,0]=3 162 B8R0.23 OC(=O)CN(C(=O)N)N MCULE-5081763144 [1,0,0,0,0,0|3,0,0]=4 163 B8R0.23 [C@@H](N)(CC(=O)O)C(=O)O MCULE-7899824165 [1,0,0,0,0,0|1,0,0]=2 164 B8R0.23 [C@H](N)(CS(=O)C)C(=O)O MCULE-5084638505 [1,0,0,0,0,0|1,0,1]=3 165 B8R0.23 [NH3+]C(CS(=O)[O-])C(=O)O MCULE-5293441756 [1,0,0,0,0,0|0,0,3]=4 166 B8R0.24 CS(=O)(=O)C/C(=N/O)/N MCULE-1802510733 [1,0,0,0,0,0|2,0,1]=4 167 B8R0.24 O=S(=O)(O)CC(O)CCl MCULE-8756434458 [1,0,0,0,0,0|2,0,1]=4 168 B8R0.24 O=S(=O)(O)CC(O)CO MCULE-8972853403 [1,0,0,0,0,0|1,0,1]=3 169 B8R0.24 O=S(=O)(O)CC(S)CS MCULE-5302170766 [1,0,0,0,0,0|1,1,1]=4 170 B8R0.29 CC(=O)CCS(=O)(=O)C MCULE-3749048069 [1,0,0,0,0,0|2,0,0]=3 171 B8R0.29 CC(=O)CNS(=O)(=O)C MCULE-3357245714 [1,0,0,0,0,0|3,0,0]=4 172 B8R0.29 CC(=O)COS(=O)(=O)C MCULE-9016144725 [1,0,0,0,0,0|3,0,0]=4 173 B8R0.29 CC(O)CCS(=O)(=O)C MCULE-4963897023 [1,0,0,0,0,0|2,0,1]=4 174 B8R0.29 CN(C)CCS(=O)(=O)O MCULE-2605112532 [1,0,0,0,0,0|3,0,0]=4 175 B8R0.29 CP(=O)(C)CCC(=O)O MCULE-4161237740 [1,0,0,0,0,0|3,0,0]=4 176 B8R0.29 CP(=O)(O)CCC(=O)O MCULE-7722406670 [1,0,0,0,0,0|2,0,0]=3 177 B8R0.29 CS(=O)(=NCC(=O)O)C MCULE-1962520069 [1,0,0,0,0,0|3,0,0]=4 178 B8R0.29 CS(=O)(=O)C=CC(=O)O MCULE-9110705817 [1,0,0,0,0,0|1,0,2]=4 179 B8R0.29 CS(=O)(=O)CCC(=O)O MCULE-6100062469 [1,0,0,0,0,0|1,0,0]=2 180 B8R0.29 CS(=O)(=O)NCC(=O)O MCULE-6239662408 [1,0,0,0,0,0|2,0,0]=3 181 B8R0.29 CS(=O)(=O)NCC(=O)[O-] MCULE-9448136066 [1,0,0,0,0,0|2,0,1]=4 182 B8R0.29 CS(=O)(=O)OCC(=O)O MCULE-5511249618 [1,0,0,0,0,0|2,0,0]=3 183 B8R0.29 NC(=O)CSS(=O)(=O)[O-] MCULE-8505766303 [1,0,0,0,0,0|2,0,1]=4 184 B8R0.29 NC(=O)CSS(=O)(=O)[O-] MCULE-8882893376 [1,0,0,0,0,0|2,0,1]=4 185 B8R0.29 NS(=O)(=O)CCC(=O)O MCULE-7062523969 [1,0,0,0,0,0|1,0,0]=2 186 B8R0.29 O=C(O)CCP(=O)(O)O MCULE-5647723204 [1,0,0,0,0,0|1,0,1]=3 187 B8R0.29 O=C(O)CCS(=O)(=O)O MCULE-8973025218 [1,0,0,0,0,0|0,0,0]=1 188 B8R0.29 O=C([O-])CCS(=O)(=O)[O-] MCULE-7929163880 [1,0,0,0,0,0|0,0,2]=3 189 B10R0.37 COC(=O)C(C)CS(=O)(=O)Cl MCULE-6603934209 [0,1,0,0,0,0|2,0,0]=3 190 B10R0.37 COC(=O)C(C)NS(=O)(=O)C MCULE-1814106392 [0,1,0,0,0,0|3,0,0]=4 191 B10R0.37 COC(=O)C(N)CC(C)(C)O MCULE-5883346797 [0,1,0,0,0,0|3,0,0]=4 192 B10R0.37 COC(=O)[C@H](C)NS(=O)(=O)C MCULE-1289908036 [0,1,0,0,0,0|3,0,0]=4 193 B10R0.67 CCS(=O)(=O)NC(C)C(=O)O MCULE-4772484631 [0,1,0,0,0,0|3,0,0]=4 194 B10R0.67 COC(C)(C)CC(N)C(=O)O MCULE-1291000987 [0,1,0,0,0,0|3,0,0]=4 195 B10R0.154 CC(C(=O)O)C(C)S(=O)(=O)C MCULE-2563221262 [0,1,0,0,0,0|2,0,0]=3 196 B10R0.163 CC(C)(CS(=O)(=O)C)C(=O)O MCULE-9852676742 [0,1,0,0,0,0|2,0,0]=3 197 B10R0.163 CC(C)(CS(=O)(=O)N)C(=O)O MCULE-5940582557 [0,1,0,0,0,0|2,0,0]=3 198 B10R0.163 CC(C)(NS(=O)(=O)C)C(=O)O MCULE-6919671176 [0,1,0,0,0,0|3,0,0]=4 199 B10R1.147 O=C1CCS(=O)(=O)CC1Br MCULE-1836331711 [0,0,0,1,0,0|3,0,0]=4 200 B10R1.359 CC(=O)C1CCS(=O)(=O)C1 MCULE-7502084743 [0,0,0,1,0,0|3,0,0]=4 201 B10R1.359 O=C(O)C1=CCS(=O)(=O)C1 MCULE-9908630262 [0,0,0,1,0,0|2,0,1]=4 202 B10R1.359 O=C(O)C1CCS(=O)(=O)C1 MCULE-3551776261 [0,0,0,1,0,0|2,0,0]=3 203 B10R1.359 O=C(O)C1CCS(=O)(=O)N1 MCULE-5768819085 [0,0,0,1,0,0|3,0,0]=4 204 B10R1.566 NC(=O)C1(CS(=O)(=O)C1)N MCULE-1639169450 [0,0,0,1,0,0|2,0,0]=3 205 B10R1.566 NC1(CS(=O)(=O)C1)C(=O)O MCULE-6225932613 [0,0,0,1,0,0|1,0,0]=2 206 B8R0.27 CC(=O)C(C)S(=O)(=O)C MCULE-7012691906 [0,0,0,0,1,0|3,0,0]=4 207 B8R0.27 CC(=O)C(C)S(=O)(=O)[O-] MCULE-3193868144 [0,0,0,0,1,0|2,0,1]=4 208 B8R0.27 CC(=O)C(C)S(=O)(=O)[O-] MCULE-3987018627 [0,0,0,0,1,0|2,0,1]=4 209 B8R0.27 CC(C(=O)O)P(=O)(O)O MCULE-8565461015 [0,0,0,0,1,0|2,0,1]=4 210 B8R0.27 CC(C(=O)O)S(=O)(=O)C MCULE-7357476405 [0,0,0,0,1,0|2,0,0]=3 211 B8R0.27 CC(C(=O)O)S(=O)(=O)N MCULE-9865873949 [0,0,0,0,1,0|2,0,0]=3 212 B8R0.27 CC(C)(O)C(N)C(=O)O MCULE-4257891769 [0,0,0,0,1,0|3,0,0]=4 213 B8R0.27 CC(C)(O)C(N)C(=O)O MCULE-4291820573 [0,0,0,0,1,0|3,0,0]=4 214 B8R0.27 CC(C)(O)C(N)C(=O)O MCULE-8731964950 [0,0,0,0,1,0|3,0,0]=4 215 B8R0.27 CC(C)(O)[C@@H](N)C(=O)O MCULE-2953137860 [0,0,0,0,1,0|3,0,0]=4 216 B8R0.27 CC(C)(O)[C@@H](N)C(=O)O MCULE-3424625974 [0,0,0,0,1,0|3,0,0]=4 217 B8R0.27 CC(C)(O)[C@H](N)C(=O)O MCULE-3721152032 [0,0,0,0,1,0|3,0,0]=4 218 B8R0.27 CC(C)(O)[C@H](N)C(=O)O MCULE-7599346102 [0,0,0,0,1,0|3,0,0]=4 219 B8R0.27 CC(C)(O)[C@H](N)C(=O)O MCULE-9499245205 [0,0,0,0,1,0|3,0,0]=4 220 B8R0.27 CC(C)C(N)S(=O)(=O)O MCULE-1741232006 [0,0,0,0,1,0|2,0,1]=4 221 B8R0.27 O=C(O)C(Cl)P(=O)(O)O MCULE-8492715834 [0,0,0,0,1,0|2,0,1]=4 222 B8R0.27 O=C(O)C(O)P(=O)(O)O MCULE-5564177953 [0,0,0,0,1,0|2,0,1]=4 223 B8R0.27 [C@@H](N)(C(=O)O)C(C)(C)O MCULE-5116872005 [0,0,0,0,1,0|3,0,0]=4 224 B10R0.31 NC(=CC(=O)O)CP(=O)(O)O MCULE-1305156195 [0,0,0,0,0,1|1,0,2]=4 225 B10R0.92 CP(=O)(O)CCC(N)C(=O)O MCULE-1038057082 [0,0,0,0,0,1|2,0,0]=3 226 B10R0.92 CP(=O)(O)CCC(N)C(=O)O MCULE-7761179555 [0,0,0,0,0,1|2,0,0]=3 227 B10R0.92 CS(=N)(=O)CCC(N)C(=O)O MCULE-2268954465 [0,0,0,0,0,1|2,0,0]=3 228 B10R0.92 CS(=N)(=O)CCC(N)C(=O)O MCULE-2804558075 [0,0,0,0,0,1|2,0,0]=3 229 B10R0.92 CS(=N)(=O)CCC(N)C(=O)O MCULE-7485004955 [0,0,0,0,0,1|2,0,0]=3 230 B10R0.92 CS(=N)(=O)CC[C@@H](N)C(=O)O MCULE-3997574746 [0,0,0,0,0,1|2,0,0]=3 231 B10R0.92 CS(=N)(=O)CC[C@H](N)C(=O)O MCULE-1068341907 [0,0,0,0,0,1|2,0,0]=3 232 B10R0.92 CS(=N)(=O)CC[C@H](N)C(=O)O MCULE-3093123817 [0,0,0,0,0,1|2,0,0]=3 233 B10R0.92 CS(=O)(=O)CCC(N)C(=O)N MCULE-2040686966 [0,0,0,0,0,1|2,0,0]=3 234 B10R0.92 CS(=O)(=O)CCC(N)C(=O)N MCULE-6821893612 [0,0,0,0,0,1|2,0,0]=3 235 B10R0.92 CS(=O)(=O)CCC(N)C(=O)O MCULE-8107053430 [0,0,0,0,0,1|1,0,0]=2 236 B10R0.92 CS(=O)(=O)CC[C@@H](N)C(=O)O MCULE-1126326759 [0,0,0,0,0,1|1,0,0]=2 237 B10R0.92 CS(=O)(=O)CC[C@@H](N)C(=O)O MCULE-3558725435 [0,0,0,0,0,1|1,0,0]=2 238 B10R0.92 CS(=O)(=O)CC[C@H](N)C(=O)O MCULE-2269540933 [0,0,0,0,0,1|1,0,0]=2 239 B10R0.92 CS(=O)(=O)CC[C@H](N)C(=O)O MCULE-4203364916 [0,0,0,0,0,1|1,0,0]=2 240 B10R0.92 CS(=O)(=O)SCC(N)C(=O)O MCULE-1061975394 [0,0,0,0,0,1|1,0,0]=2 241 B10R0.92 NC(CCP(=O)(O)O)C(=O)O MCULE-2756478197 [0,0,0,0,0,1|1,0,1]=3 242 B10R0.92 NC(CCS(=O)(=O)O)C(=O)O MCULE-7377602601 [0,0,0,0,0,1|0,0,0]=1 243 B10R0.92 NC(COP(=O)(O)O)C(=O)O MCULE-1695816394 [0,0,0,0,0,1|1,0,1]=3 244 B10R0.92 NC(COS(=O)(=O)O)C(=O)O MCULE-5049646882 [0,0,0,0,0,1|0,0,0]=1 245 B10R0.92 NC(CSS(=O)(=O)O)C(=O)[O-] MCULE-4046079265 [0,0,0,0,0,1|0,0,1]=2 246 B10R0.92 N[C@@H](CCP(=O)(O)O)C(=O)O MCULE-3863533502 [0,0,0,0,0,1|1,0,1]=3 247 B10R0.92 N[C@@H](CCP(=O)(O)O)C(=O)O MCULE-3988880216 [0,0,0,0,0,1|1,0,1]=3 248 B10R0.92 N[C@@H](CCS(=O)(=O)O)C(=O)O MCULE-8204260402 [0,0,0,0,0,1|0,0,0]=1 249 B10R0.92 N[C@@H](COP(=O)(O)O)C(=O)O MCULE-3199737084 [0,0,0,0,0,1|1,0,1]=3 250 B10R0.92 N[C@@H](COP(=O)(O)O)C(=O)O MCULE-4907212979 [0,0,0,0,0,1|1,0,1]=3 251 B10R0.92 N[C@@H](COS(=O)(=O)O)C(=O)O MCULE-3746813647 [0,0,0,0,0,1|0,0,0]=1 252 B10R0.92 N[C@@H](COS(=O)(=O)O)C(=O)O MCULE-9474608832 [0,0,0,0,0,1|0,0,0]=1 253 B10R0.92 N[C@@H](COS(=O)(=O)[O-])C(=O)O MCULE-9200207665 [0,0,0,0,0,1|0,0,1]=2 254 B10R0.92 N[C@@H](CSS(=O)(=O)O)C(=O)O MCULE-5127296011 [0,0,0,0,0,1|0,0,0]=1 255 B10R0.92 N[C@@H](CSS(=O)(=O)O)C(=O)[O-] MCULE-1017024868 [0,0,0,0,0,1|0,0,1]=2 256 B10R0.92 N[C@@H](CSS(=O)(=O)O)C(=O)[O-] MCULE-7847954389 [0,0,0,0,0,1|0,0,1]=2 257 B10R0.92 N[C@H](CCP(=O)(O)O)C(=O)O MCULE-4319868114 [0,0,0,0,0,1|1,0,1]=3 258 B10R0.92 N[C@H](CCP(=O)([O-])O)C(=O)O MCULE-5292220353 [0,0,0,0,0,1|1,0,1]=3 259 B10R0.92 N[C@H](COP(=O)(O)O)C(=O)O MCULE-4002733556 [0,0,0,0,0,1|1,0,1]=3 260 B10R0.92 N[C@H](COP(=O)(O)O)C(=O)O MCULE-5554704102 [0,0,0,0,0,1|1,0,1]=3 261 B10R0.92 O=C(O)C(O)COP(=O)(O)O MCULE-4022388447 [0,0,0,0,0,1|2,0,1]=4 262 B10R0.92 [C@H](N)(CSS(=O)(=O)O)C(=O)O MCULE-9668444815 [0,0,0,0,0,1|0,0,0]=1 263 B10R0.92 [NH3+]C(CSS(=O)(=O)[O-])C(=O)O MCULE-9892019930 [0,0,0,0,0,1|0,0,2]=3 264 B7R0.2 C=CC(N)CC(=O)O MCULE-1733618438 [2,0,0,0,0,0|2,0,0]=4 265 B7R0.2 C=CC(N)CC(=O)O MCULE-9636299966 [2,0,0,0,0,0|2,0,0]=4 266 B7R0.2 NC(CO)CC(=O)O MCULE-4749383822 [2,0,0,0,0,0|1,0,1]=4 267 B7R0.2 NC(CO)CC(=O)O MCULE-7973334774 [2,0,0,0,0,0|1,0,1]=4 268 B7R0.2 NC(CO)CC(=O)O MCULE-8406665261 [2,0,0,0,0,0|1,0,1]=4 269 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-1773927420 [2,0,0,0,0,0|1,0,1]=4 270 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-2797951743 [2,0,0,0,0,0|1,0,1]=4 271 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-3839766977 [2,0,0,0,0,0|1,0,1]=4 272 B7R0.2 N[C@H](CO)CC(=O)O MCULE-4130106630 [2,0,0,0,0,0|1,0,1]=4 273 B7R0.5 C#CCC(N)C(=O)O MCULE-2022398365 [2,0,0,0,0,0|2,0,0]=4 274 B7R0.5 C#CCC(N)C(=O)O MCULE-2451098139 [2,0,0,0,0,0|2,0,0]=4 275 B7R0.5 C#CCC(N)C(=O)O MCULE-4330300997 [2,0,0,0,0,0|2,0,0]=4 276 B7R0.5 C#CCC(N)C(=O)O MCULE-5100293043 [2,0,0,0,0,0|2,0,0]=4 277 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-1266511504 [2,0,0,0,0,0|2,0,0]=4 278 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-2589808316 [2,0,0,0,0,0|2,0,0]=4 279 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-4703021434 [2,0,0,0,0,0|2,0,0]=4 280 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-5616417783 [2,0,0,0,0,0|2,0,0]=4 281 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-1593368546 [2,0,0,0,0,0|2,0,0]=4 282 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-5683421535 [2,0,0,0,0,0|2,0,0]=4 283 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-7302855511 [2,0,0,0,0,0|2,0,0]=4 284 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-9256626051 [2,0,0,0,0,0|2,0,0]=4 285 B7R0.5 C=CCC(N)C(=O)O MCULE-1550468430 [2,0,0,0,0,0|2,0,0]=4 286 B7R0.5 C=CCC(N)C(=O)O MCULE-1783682768 [2,0,0,0,0,0|2,0,0]=4 287 B7R0.5 C=CCC(N)C(=O)O MCULE-8721864064 [2,0,0,0,0,0|2,0,0]=4 288 B7R0.5 C=CCC(N)C(=O)O MCULE-9091562338 [2,0,0,0,0,0|2,0,0]=4 289 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-3817126030 [2,0,0,0,0,0|2,0,0]=4 290 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-5479618260 [2,0,0,0,0,0|2,0,0]=4 291 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-6719393730 [2,0,0,0,0,0|2,0,0]=4 292 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-7577627870 [2,0,0,0,0,0|2,0,0]=4 293 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-2073484196 [2,0,0,0,0,0|2,0,0]=4 294 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-3267648941 [2,0,0,0,0,0|2,0,0]=4 295 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-4183531139 [2,0,0,0,0,0|2,0,0]=4 296 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-8225762047 [2,0,0,0,0,0|2,0,0]=4 297 B7R0.5 CC(CCO)C(=O)O MCULE-9724304469 [2,0,0,0,0,0|2,0,0]=4 298 B7R0.5 CCCC(N)C(=O)O MCULE-1684743992 [2,0,0,0,0,0|2,0,0]=4 299 B7R0.5 CCCC(N)C(=O)O MCULE-5263067403 [2,0,0,0,0,0|2,0,0]=4 300 B7R0.5 CCCC(N)C(=O)O MCULE-7151907627 [2,0,0,0,0,0|2,0,0]=4 301 B7R0.5 CCC[C@@H](N)C(=O)O MCULE-1302378905 [2,0,0,0,0,0|2,0,0]=4 302 B7R0.5 CCC[C@@H](N)C(=O)O MCULE-5246507817 [2,0,0,0,0,0|2,0,0]=4 303 B7R0.5 CCC[C@H](N)C(=O)O MCULE-2890516597 [2,0,0,0,0,0|2,0,0]=4 304 B7R0.5 CCC[C@H](N)C(=O)O MCULE-4690406880 [2,0,0,0,0,0|2,0,0]=4 305 B7R0.5 CCC[C@H](N)C(=O)O MCULE-9323049450 [2,0,0,0,0,0|2,0,0]=4 306 B7R0.5 CNCC(N)C(=O)O MCULE-4360775406 [2,0,0,0,0,0|2,0,0]=4 307 B7R0.5 CNCC(N)C(=O)O MCULE-4913403405 [2,0,0,0,0,0|2,0,0]=4 308 B7R0.5 CNC[C@H](N)C(=O)O MCULE-3465445123 [2,0,0,0,0,0|2,0,0]=4 309 B7R0.5 CNC[C@H](N)C(=O)O MCULE-7309489523 [2,0,0,0,0,0|2,0,0]=4 310 B7R0.5 CNC[C@H](N)C(=O)O MCULE-8418254346 [2,0,0,0,0,0|2,0,0]=4 311 B7R0.5 CNC[C@H](N)C(=O)O MCULE-8752314299 [2,0,0,0,0,0|2,0,0]=4 312 B7R0.5 COCC(N)C(=O)O MCULE-4336440568 [2,0,0,0,0,0|1,1,0]=4 313 B7R0.5 COCC(N)C(=O)O MCULE-4899043582 [2,0,0,0,0,0|1,1,0]=4 314 B7R0.5 COCC(N)C(=O)O MCULE-6964823693 [2,0,0,0,0,0|1,1,0]=4 315 B7R0.5 COCC(N)C(=O)O MCULE-7037870255 [2,0,0,0,0,0|1,1,0]=4 316 B7R0.5 COC[C@@H](N)C(=O)O MCULE-1827086666 [2,0,0,0,0,0|1,1,0]=4 317 B7R0.5 COC[C@@H](N)C(=O)O MCULE-4868456769 [2,0,0,0,0,0|1,1,0]=4 318 B7R0.5 COC[C@@H](N)C(=O)O MCULE-5275247485 [2,0,0,0,0,0|1,1,0]=4 319 B7R0.5 COC[C@@H](N)C(=O)O MCULE-7339751251 [2,0,0,0,0,0|1,1,0]=4 320 B7R0.5 COC[C@H](N)C(=O)O MCULE-3719679803 [2,0,0,0,0,0|1,1,0]=4 321 B7R0.5 COC[C@H](N)C(=O)O MCULE-4874807874 [2,0,0,0,0,0|1,1,0]=4 322 B7R0.5 COC[C@H](N)C(=O)O MCULE-5303156917 [2,0,0,0,0,0|1,1,0]=4 323 B7R0.5 COC[C@H](N)C(=O)O MCULE-8138564560 [2,0,0,0,0,0|1,1,0]=4 324 B7R0.5 CSCC(N)C(=O)O MCULE-7668628251 [2,0,0,0,0,0|1,0,1]=4 325 B7R0.5 CSC[C@H](N)C(=O)O MCULE-1178337776 [2,0,0,0,0,0|1,0,1]=4 326 B7R0.5 CSC[C@H](N)C(=O)O MCULE-2769761337 [2,0,0,0,0,0|1,0,1]=4 327 B7R0.5 C[Se]CC(N)C(=O)O MCULE-3357465269 [2,0,0,0,0,0|1,1,0]=4 328 B7R0.5 C[Se]CC(N)C(=O)O MCULE-7671606756 [2,0,0,0,0,0|1,1,0]=4 329 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-5208306365 [2,0,0,0,0,0|1,1,0]=4 330 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-6734478742 [2,0,0,0,0,0|1,1,0]=4 331 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-6760615750 [2,0,0,0,0,0|1,1,0]=4 332 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-7512025617 [2,0,0,0,0,0|1,1,0]=4 333 B7R0.5 N#CCC(N)C(=O)O MCULE-4929926467 [2,0,0,0,0,0|2,0,0]=4 334 B7R0.5 N#CC[C@H](N)C(=O)O MCULE-6294926701 [2,0,0,0,0,0|2,0,0]=4 335 B7R0.5 N#CC[C@H](N)C(=O)O MCULE-6432920316 [2,0,0,0,0,0|2,0,0]=4 336 B7R0.5 NC(CCBr)C(=O)O MCULE-1900559475 [2,0,0,0,0,0|2,0,0]=4 337 B7R0.5 NC(CCBr)C(=O)O MCULE-7293320576 [2,0,0,0,0,0|2,0,0]=4 338 B7R0.5 NC(CCF)C(=O)O MCULE-5519595590 [2,0,0,0,0,0|2,0,0]=4 339 B7R0.5 NC(CCF)C(=O)O MCULE-7293194855 [2,0,0,0,0,0|2,0,0]=4 340 B7R0.5 NC(CCO)C(=O)O MCULE-1744838687 [2,0,0,0,0,0|1,0,0]=3 341 B7R0.5 NC(CCO)C(=O)O MCULE-9642233758 [2,0,0,0,0,0|1,0,0]=3 342 B7R0.5 NC(CCS)C(=O)O MCULE-8057550187 [2,0,0,0,0,0|1,1,0]=4 343 B7R0.5 NC(CCS)C(=O)O MCULE-8117596001 [2,0,0,0,0,0|1,1,0]=4 344 B7R0.5 NC(CNO)C(=O)O MCULE-2332662988 [2,0,0,0,0,0|1,0,0]=3 345 B7R0.5 NCCC(N)C(=O)O MCULE-1239764966 [2,0,0,0,0,0|2,0,0]=4 346 B7R0.5 NCCC(N)C(=O)O MCULE-2441123923 [2,0,0,0,0,0|2,0,0]=4 347 B7R0.5 NCCC(N)C(=O)O MCULE-3966593369 [2,0,0,0,0,0|2,0,0]=4 348 B7R0.5 NCCC(N)C(=O)O MCULE-4212078130 [2,0,0,0,0,0|2,0,0]=4 349 B7R0.5 NCCC(N)C(=O)O MCULE-7713366571 [2,0,0,0,0,0|2,0,0]=4 350 B7R0.5 NCCC(N)C(=O)O MCULE-8402131049 [2,0,0,0,0,0|2,0,0]=4 351 B7R0.5 NCCC(N)C(=O)O MCULE-9198187552 [2,0,0,0,0,0|2,0,0]=4 352 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-4000770618 [2,0,0,0,0,0|2,0,0]=4 353 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-5775312784 [2,0,0,0,0,0|2,0,0]=4 354 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-6259961704 [2,0,0,0,0,0|2,0,0]=4 355 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-9871958374 [2,0,0,0,0,0|2,0,0]=4 356 B7R0.5 NCC[C@H](N)C(=O)O MCULE-1745978456 [2,0,0,0,0,0|2,0,0]=4 357 B7R0.5 NCC[C@H](N)C(=O)O MCULE-3856066353 [2,0,0,0,0,0|2,0,0]=4 358 B7R0.5 NCC[C@H](N)C(=O)O MCULE-3919721317 [2,0,0,0,0,0|2,0,0]=4 359 B7R0.5 NCC[C@H](N)C(=O)O MCULE-5434373726 [2,0,0,0,0,0|2,0,0]=4 360 B7R0.5 NCC[C@H](N)C(=O)O MCULE-5992578597 [2,0,0,0,0,0|2,0,0]=4 361 B7R0.5 NCC[C@H](N)C(=O)O MCULE-6536533546 [2,0,0,0,0,0|2,0,0]=4 362 B7R0.5 NCC[C@H](N)C(=O)O MCULE-6978035806 [2,0,0,0,0,0|2,0,0]=4 363 B7R0.5 NCC[C@H](N)C(=O)O MCULE-8762011291 [2,0,0,0,0,0|2,0,0]=4 364 B7R0.5 NCC[C@H](N)C(=O)O MCULE-9645608127 [2,0,0,0,0,0|2,0,0]=4 365 B7R0.5 NOC[C@H](N)C(=O)O MCULE-1050292176 [2,0,0,0,0,0|1,1,0]=4 366 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-2388269464 [2,0,0,0,0,0|2,0,0]=4 367 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-2456796412 [2,0,0,0,0,0|2,0,0]=4 368 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-6229782603 [2,0,0,0,0,0|2,0,0]=4 369 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-8123446168 [2,0,0,0,0,0|2,0,0]=4 370 B7R0.5 N[C@@H](CCO)C(=O)O MCULE-2370353784 [2,0,0,0,0,0|1,0,0]=3 371 B7R0.5 N[C@@H](CCO)C(=O)O MCULE-4861747928 [2,0,0,0,0,0|1,0,0]=3 372 B7R0.5 N[C@@H](CCS)C(=O)O MCULE-4021115723 [2,0,0,0,0,0|1,1,0]=4 373 B7R0.5 N[C@@H](CCS)C(=O)O MCULE-7661321953 [2,0,0,0,0,0|1,1,0]=4 374 B7R0.5 N[C@@H](CSS)C(=O)O MCULE-3029500977 [2,0,0,0,0,0|0,1,1]=4 375 B7R0.5 N[C@H](CCBr)C(=O)O MCULE-1975650690 [2,0,0,0,0,0|2,0,0]=4 376 B7R0.5 N[C@H](CCBr)C(=O)O MCULE-7245104465 [2,0,0,0,0,0|2,0,0]=4 377 B7R0.5 N[C@H](CCO)C(=O)O MCULE-8005652100 [2,0,0,0,0,0|1,0,0]=3 378 B7R0.5 N[C@H](CCO)C(=O)O MCULE-8613625039 [2,0,0,0,0,0|1,0,0]=3 379 B7R0.5 N[C@H](CCS)C(=O)O MCULE-1110046008 [2,0,0,0,0,0|1,1,0]=4 380 B7R0.5 N[C@H](CCS)C(=O)O MCULE-7556963357 [2,0,0,0,0,0|1,1,0]=4 381 B7R0.5 O=C(O)C(O)CCO MCULE-9096271794 [2,0,0,0,0,0|2,0,0]=4 382 B7R0.5 [C@H](N)(CC#C)C(=O)O MCULE-7308061694 [2,0,0,0,0,0|2,0,0]=4 383 B7R0.6 CC(=O)CCC(=O)O MCULE-1392778065 [2,0,0,0,0,0|2,0,0]=4 384 B7R0.6 CC(=O)CCN(=O)=O MCULE-4726243654 [2,0,0,0,0,0|2,0,0]=4 385 B7R0.6 CC(O)CCC(=O)O MCULE-6352217997 [2,0,0,0,0,0|2,0,0]=4 386 B7R0.6 CS(=O)CCC(=O)O MCULE-8243349779 [2,0,0,0,0,0|1,0,1]=4 387 B7R0.6 NC(=O)CCC(=O)O MCULE-5813999826 [2,0,0,0,0,0|2,0,0]=4 388 B7R0.6 O=C(O)CCB(O)O MCULE-9351023222 [2,0,0,0,0,0|1,0,1]=4 389 B7R0.6 O=C(O)CCC(=O)O MCULE-1233211613 [2,0,0,0,0,0|1,0,0]=3 390 B7R0.6 O=C(O)CCC(=O)O MCULE-5889111640 [2,0,0,0,0,0|1,0,0]=3 391 B7R0.6 O=C(O)CCN(=O)=O MCULE-1879231817 [2,0,0,0,0,0|1,0,0]=3 392 B7R0.6 O=C([O-])CCC(=O)O MCULE-9149947862 [2,0,0,0,0,0|1,0,1]=4 393 B7R0.8 C=CCCS(=O)(=O)Cl MCULE-4155315964 [2,0,0,0,0,0|2,0,0]=4 394 B7R0.8 C=CCCS(=O)(=O)N MCULE-5790165741 [2,0,0,0,0,0|2,0,0]=4 395 B7R0.8 CCCCS(=O)(=O)O MCULE-8566681643 [2,0,0,0,0,0|1,0,1]=4 396 B7R0.8 CNCCS(=O)(=O)O MCULE-4217252594 [2,0,0,0,0,0|2,0,0]=4 397 B7R0.8 CS(=O)(=O)CCC=O MCULE-1821843669 [2,0,0,0,0,0|1,0,0]=3 398 B7R0.8 CS(=O)(=O)CCCO MCULE-6816358475 [2,0,0,0,0,0|1,0,1]=4 399 B7R0.8 NCCCS(=O)(=O)O MCULE-6933013590 [2,0,0,0,0,0|1,0,1]=4 400 B7R0.8 O=S(=O)(O)CCCBr MCULE-8256529568 [2,0,0,0,0,0|1,0,1]=4 401 B7R0.8 O=S(=O)(O)CCCO MCULE-2005221071 [2,0,0,0,0,0|0,0,1]=3 402 B7R0.8 O=S(=O)(O)CCCS MCULE-4609690087 [2,0,0,0,0,0|0,1,1]=4 403 B7R0.8 O=S(=O)([O-])CCCO MCULE-8868858831 [2,0,0,0,0,0|0,0,2]=4 404 B7R0.9 C=C(C)CS(=O)(=O)O MCULE-9682032193 [2,0,0,0,0,0|1,0,1]=4 405 B7R0.9 CC(N)CS(=O)(=O)C MCULE-8822552419 [2,0,0,0,0,0|1,0,1]=4 406 B7R0.9 CC(N)CS(=O)(=O)C MCULE-9216622378 [2,0,0,0,0,0|1,0,1]=4 407 B7R0.9 CC(N)CS(=O)(=O)O MCULE-7402057915 [2,0,0,0,0,0|0,0,1]=3 408 B7R0.9 CC(O)CS(=O)(=O)C MCULE-9821477194 [2,0,0,0,0,0|2,0,0]=4 409 B7R0.9 CS(=O)(=O)CC(=O)N MCULE-1619614870 [2,0,0,0,0,0|1,0,1]=4 410 B7R0.9 C[C@@H](N)CS(=O)(=O)C MCULE-6974339925 [2,0,0,0,0,0|1,0,1]=4 411 B7R0.9 C[C@@H](N)CS(=O)(=O)C MCULE-8870434495 [2,0,0,0,0,0|1,0,1]=4 412 B7R0.9 C[C@H](N)CS(=O)(=O)C MCULE-6266741758 [2,0,0,0,0,0|1,0,1]=4 413 B7R0.9 C[C@H](N)CS(=O)(=O)C MCULE-9558997808 [2,0,0,0,0,0|1,0,1]=4 414 B7R0.9 NC(=O)CS(=O)(=O)N MCULE-5735073011 [2,0,0,0,0,0|1,0,1]=4 415 B7R0.9 O=C(O)CS(=O)(=O)O MCULE-4846153382 [2,0,0,0,0,0|1,0,1]=4 416 B9R0.11 CC(C)(CC(=O)O)C(=O)O MCULE-7005043054 [1,1,0,0,0,0|2,0,0]=4 417 B9R0.11 CC(N)(CC(=O)O)C(=O)O MCULE-3390093551 [1,1,0,0,0,0|1,0,0]=3 418 B9R0.11 CC(N)(CC(=O)O)C(=O)O MCULE-4137717341 [1,1,0,0,0,0|1,0,0]=3 419 B9R0.11 CC(O)(CC(=O)O)C(=O)O MCULE-8670926890 [1,1,0,0,0,0|2,0,0]=4 420 B9R0.11 C[C@@](N)(CC(=O)O)C(=O)O MCULE-5803003392 [1,1,0,0,0,0|1,0,0]=3 421 B9R0.11 C[C@@](N)(CC(=O)O)C(=O)O MCULE-7987571569 [1,1,0,0,0,0|1,0,0]=3 422 B9R0.11 C[C@](N)(CC(=O)N)C(=O)O MCULE-5803295303 [1,1,0,0,0,0|2,0,0]=4 423 B9R0.11 C[C@](N)(CC(=O)N)C(=O)O MCULE-9662132548 [1,1,0,0,0,0|2,0,0]=4 424 B9R0.11 C[C@](N)(CC(=O)O)C(=O)O MCULE-4314292616 [1,1,0,0,0,0|1,0,0]=3 425 B9R0.11 C[C@](O)(CC(=O)O)C(=O)O MCULE-1934088864 [1,1,0,0,0,0|2,0,0]=4 426 B9R0.11 O=C(O)CC(F)(F)C(=O)O MCULE-7706048377 [1,1,0,0,0,0|2,0,0]=4 427 B9R0.11 O=C(O)CC(S)(S)C(=O)O MCULE-7344489814 [1,1,0,0,0,0|2,0,0]=4 428 B9R0.23 C(N)(CC(=O)O)C(=O)OC MCULE-3786901582 [1,1,0,0,0,0|1,0,0]=3 429 B9R0.23 COC(=O)C(C)CC(=O)O MCULE-5268313344 [1,1,0,0,0,0|2,0,0]=4 430 B9R0.23 COC(=O)C(N)CC(=O)N MCULE-1752536252 [1,1,0,0,0,0|2,0,0]=4 431 B9R0.23 COC(=O)C(N)CC(=O)N MCULE-5054924778 [1,1,0,0,0,0|2,0,0]=4 432 B9R0.23 COC(=O)C(N)CC(=O)O MCULE-7519781259 [1,1,0,0,0,0|1,0,0]=3 433 B9R0.23 COC(=O)[C@@H](C)CC(=O)O MCULE-8145746541 [1,1,0,0,0,0|2,0,0]=4 434 B9R0.23 COC(=O)[C@@H](N)CC(=O)N MCULE-2903193624 [1,1,0,0,0,0|2,0,0]=4 435 B9R0.23 COC(=O)[C@@H](N)CC(=O)N MCULE-3686406545 [1,1,0,0,0,0|2,0,0]=4 436 B9R0.23 COC(=O)[C@@H](N)CC(=O)N MCULE-3726434187 [1,1,0,0,0,0|2,0,0]=4 437 B9R0.23 COC(=O)[C@@H](N)CC(=O)N MCULE-9719605200 [1,1,0,0,0,0|2,0,0]=4 438 B9R0.23 COC(=O)[C@@H](N)CC(=O)O MCULE-2094999701 [1,1,0,0,0,0|1,0,0]=3 439 B9R0.23 COC(=O)[C@@H](N)CC(=O)O MCULE-9407721038 [1,1,0,0,0,0|1,0,0]=3 440 B9R0.23 COC(=O)[C@@H](O)CC(=O)O MCULE-4149383309 [1,1,0,0,0,0|2,0,0]=4 441 B9R0.23 COC(=O)[C@@H](O)CC(=O)O MCULE-4834047702 [1,1,0,0,0,0|2,0,0]=4 442 B9R0.23 COC(=O)[C@H](N)CC(=O)N MCULE-3007207072 [1,1,0,0,0,0|2,0,0]=4 443 B9R0.23 COC(=O)[C@H](N)CC(=O)N MCULE-3103219361 [1,1,0,0,0,0|2,0,0]=4 444 B9R0.23 COC(=O)[C@H](N)CC(=O)N MCULE-6097450650 [1,1,0,0,0,0|2,0,0]=4 445 B9R0.23 COC(=O)[C@H](N)CC(=O)N MCULE-7427879831 [1,1,0,0,0,0|2,0,0]=4 446 B9R0.23 COC(=O)[C@H](N)CC(=O)O MCULE-1453787543 [1,1,0,0,0,0|1,0,0]=3 447 B9R0.23 COC(=O)[C@H](N)CC(=O)O MCULE-8348108837 [1,1,0,0,0,0|1,0,0]=3 448 B9R0.23 COC(=O)[C@H](N)CC(=O)O MCULE-8725707708 [1,1,0,0,0,0|1,0,0]=3 449 B9R0.23 COC(=O)[C@H](O)CC(=O)O MCULE-2124989741 [1,1,0,0,0,0|2,0,0]=4 450 B9R0.23 COC(=O)[C@H](O)CC(=O)O MCULE-9803650256 [1,1,0,0,0,0|2,0,0]=4 451 B9R0.23 [C@H](N)(CC(=O)O)C(=O)OC MCULE-3013306674 [1,1,0,0,0,0|1,0,0]=3 452 B9R0.39 CCC(CC(=O)O)C(=O)O MCULE-6275256194 [1,1,0,0,0,0|2,0,0]=4 453 B9R0.39 CNC(CC(=O)O)C(=O)O MCULE-5049531079 [1,1,0,0,0,0|1,0,0]=3 454 B9R0.39 CN[C@@H](CC(=O)N)C(=O)O MCULE-2449462396 [1,1,0,0,0,0|2,0,0]=4 455 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O MCULE-4725692041 [1,1,0,0,0,0|1,0,0]=3 456 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O MCULE-6356483886 [1,1,0,0,0,0|1,0,0]=3 457 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O MCULE-9428412153 [1,1,0,0,0,0|1,0,0]=3 458 B9R0.39 CN[C@H](CC(=O)N)C(=O)O MCULE-2092394249 [1,1,0,0,0,0|2,0,0]=4 459 B9R0.39 CN[C@H](CC(=O)O)C(=O)O MCULE-1405442072 [1,1,0,0,0,0|1,0,0]=3 460 B9R0.39 CN[C@H](CC(=O)O)C(=O)O MCULE-8611804669 [1,1,0,0,0,0|1,0,0]=3 461 B9R0.39 CN[C@H](CC(=O)O)C(=O)O MCULE-9080466863 [1,1,0,0,0,0|1,0,0]=3 462 B9R0.39 COC(CC(=O)O)C(=O)O MCULE-3778948045 [1,1,0,0,0,0|2,0,0]=4 463 B9R0.39 NCC(CC(=O)O)C(=O)O MCULE-1683659350 [1,1,0,0,0,0|1,0,0]=3 464 B9R0.39 NCC(CC(=O)O)C(=O)O MCULE-8428141166 [1,1,0,0,0,0|1,0,0]=3 465 B9R0.39 NCN(CC(=O)O)C(=O)O MCULE-9677383798 [1,1,0,0,0,0|2,0,0]=4 466 B9R0.39 O=C(O)CC(CS)C(=O)O MCULE-7352825049 [1,1,0,0,0,0|2,0,0]=4 467 B9R0.42 C(N)(CC(=O)OC)C(=O)O MCULE-8015036052 [1,1,0,0,0,0|1,0,0]=3 468 B9R0.42 CC(CO)CC(N)C(=O)O MCULE-1659842949 [1,1,0,0,0,0|2,0,0]=4 469 B9R0.42 CCC(=O)CC(N)C(=O)O MCULE-7167843152 [1,1,0,0,0,0|2,0,0]=4 470 B9R0.42 CCC(=O)CC(N)C(=O)O MCULE-9225518491 [1,1,0,0,0,0|2,0,0]=4 471 B9R0.42 CNC(=O)CC(N)C(=O)O MCULE-1910017583 [1,1,0,0,0,0|2,0,0]=4 472 B9R0.42 CNC(=O)CC(N)C(=O)O MCULE-2273353640 [1,1,0,0,0,0|2,0,0]=4 473 B9R0.42 CNC(=O)C[C@@H](N)C(=O)O MCULE-6316771422 [1,1,0,0,0,0|2,0,0]=4 474 B9R0.42 CNC(=O)C[C@@H](N)C(=O)O MCULE-8833942582 [1,1,0,0,0,0|2,0,0]=4 475 B9R0.42 CNC(=O)C[C@H](N)C(=O)O MCULE-7953918935 [1,1,0,0,0,0|2,0,0]=4 476 B9R0.42 CNC(=O)C[C@H](N)C(=O)O MCULE-9595811834 [1,1,0,0,0,0|2,0,0]=4 477 B9R0.42 COC(=O)CC(C)C(=O)O MCULE-5595331018 [1,1,0,0,0,0|2,0,0]=4 478 B9R0.42 COC(=O)CC(C)C(=O)O MCULE-9262719853 [1,1,0,0,0,0|2,0,0]=4 479 B9R0.42 COC(=O)CC(N)C(=O)O MCULE-1915038693 [1,1,0,0,0,0|1,0,0]=3 480 B9R0.42 COC(=O)CC(N)C(=O)O MCULE-4452484594 [1,1,0,0,0,0|1,0,0]=3 481 B9R0.42 COC(=O)CC(N)C(=O)O MCULE-8573910427 [1,1,0,0,0,0|1,0,0]=3 482 B9R0.42 COC(=O)CC(O)C(=O)O MCULE-7105554854 [1,1,0,0,0,0|2,0,0]=4 483 B9R0.42 COC(=O)C[C@@H](C)C(=O)O MCULE-4861767896 [1,1,0,0,0,0|2,0,0]=4 484 B9R0.42 COC(=O)C[C@@H](C)C(=O)O MCULE-6107558545 [1,1,0,0,0,0|2,0,0]=4 485 B9R0.42 COC(=O)C[C@@H](N)C(=O)O MCULE-2364792775 [1,1,0,0,0,0|1,0,0]=3 486 B9R0.42 COC(=O)C[C@@H](N)C(=O)O MCULE-3240459376 [1,1,0,0,0,0|1,0,0]=3 487 B9R0.42 COC(=O)C[C@@H](N)C(=O)O MCULE-5997294610 [1,1,0,0,0,0|1,0,0]=3 488 B9R0.42 COC(=O)C[C@@H](N)C(=O)O MCULE-6955235147 [1,1,0,0,0,0|1,0,0]=3 489 B9R0.42 COC(=O)C[C@@H](O)C(=O)O MCULE-8916007864 [1,1,0,0,0,0|2,0,0]=4 490 B9R0.42 COC(=O)C[C@H](C)C(=O)O MCULE-1205037322 [1,1,0,0,0,0|2,0,0]=4 491 B9R0.42 COC(=O)C[C@H](C)C(=O)O MCULE-7536209773 [1,1,0,0,0,0|2,0,0]=4 492 B9R0.42 COC(=O)C[C@H](N)C(=O)O MCULE-3838383924 [1,1,0,0,0,0|1,0,0]=3 493 B9R0.42 COC(=O)C[C@H](N)C(=O)O MCULE-4621655906 [1,1,0,0,0,0|1,0,0]=3 494 B9R0.42 COC(=O)C[C@H](N)C(=O)O MCULE-5113413935 [1,1,0,0,0,0|1,0,0]=3 495 B9R0.42 COC(=O)C[C@H](N)C(=O)O MCULE-9857677224 [1,1,0,0,0,0|1,0,0]=3 496 B9R0.42 COC(=O)C[C@H](O)C(=O)O MCULE-9897810817 [1,1,0,0,0,0|2,0,0]=4 497 B9R0.42 NC(CN(O)N=O)C(=O)O MCULE-5880257959 [1,1,0,0,0,0|1,0,0]=3 498 B9R0.42 NCC(=O)CC(N)C(=O)O MCULE-5617919538 [1,1,0,0,0,0|2,0,0]=4 499 B9R0.42 NCC(=O)CC(N)C(=O)O MCULE-5853178152 [1,1,0,0,0,0|2,0,0]=4 500 B9R0.42 N[C@@H](CC(=O)NO)C(=O)O MCULE-2694436901 [1,1,0,0,0,0|1,0,0]=3 501 B9R0.42 N[C@@H](CN(O)N=O)C(=O)O MCULE-5513289219 [1,1,0,0,0,0|1,0,0]=3 502 B9R0.42 [C@H](N)(CN(O)N=O)C(=O)O MCULE-4128156769 [1,1,0,0,0,0|1,0,0]=3 503 B9R0.79 CC(C(=O)O)C(C)C(=O)O MCULE-6112773421 [1,1,0,0,0,0|2,0,0]=4 504 B9R0.79 CC(C(=O)O)C(N)C(=O)O MCULE-7699599383 [1,1,0,0,0,0|1,0,0]=3 505 B9R0.79 CC(C(=O)O)C(O)C(=O)O MCULE-1644748819 [1,1,0,0,0,0|2,0,0]=4 506 B9R0.79 CC(C(=O)O)[C@H](N)C(=O)O MCULE-1516476673 [1,1,0,0,0,0|1,0,0]=3 507 B9R0.79 CC(O)C(C)C(N)C(=O)O MCULE-2897656809 [1,1,0,0,0,0|2,0,0]=4 508 B9R0.79 CC(O)[C@H](C)[C@H](N)C(=O)O MCULE-6535308910 [1,1,0,0,0,0|2,0,0]=4 509 B9R0.79 CC(O)[C@H](C)[C@H](N)C(=O)O MCULE-8450789997 [1,1,0,0,0,0|2,0,0]=4 510 B9R0.79 C[C@H](C(=O)O)[C@@H](C)C(=O)O MCULE-1961663558 [1,1,0,0,0,0|2,0,0]=4 511 B9R0.79 C[C@H](C(=O)O)[C@@H](N)C(=O)O MCULE-1232463081 [1,1,0,0,0,0|1,0,0]=3 512 B9R0.79 C[C@H](C(=O)O)[C@H](N)C(=O)O MCULE-3277052139 [1,1,0,0,0,0|1,0,0]=3 513 B9R0.79 C[C@H](O)[C@H](C)[C@H](N)C(=O)O MCULE-1376333194 [1,1,0,0,0,0|2,0,0]=4 514 B9R0.79 C[C@H](O)[C@H](C)[C@H](N)C(=O)O MCULE-4005119004 [1,1,0,0,0,0|2,0,0]=4 515 B9R0.79 NC(C(=O)O)C(N)C(=O)O MCULE-8316230798 [1,1,0,0,0,0|1,0,0]=3 516 B9R0.79 NC(C(=O)O)C(O)C(=O)O MCULE-9532787420 [1,1,0,0,0,0|1,0,0]=3 517 B9R0.79 N[C@@H](C(=O)O)[C@@H](F)C(=O)O MCULE-2171226271 [1,1,0,0,0,0|1,0,0]=3 518 B9R0.79 N[C@H](C(=O)O)[C@@H](N)C(=O)O MCULE-6540811499 [1,1,0,0,0,0|1,0,0]=3 519 B9R0.79 N[C@H](C(=O)O)[C@H](O)C(=O)O MCULE-1913101511 [1,1,0,0,0,0|1,0,0]=3 520 B9R0.79 N[C@H](C(=O)O)[C@H](O)C(=O)O MCULE-9488918896 [1,1,0,0,0,0|1,0,0]=3 521 B9R0.79 O=C(O)C(Br)C(Br)C(=O)O MCULE-5784765255 [1,1,0,0,0,0|2,0,0]=4 522 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-1129308393 [1,1,0,0,0,0|2,0,0]=4 523 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-2045308981 [1,1,0,0,0,0|2,0,0]=4 524 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-2628563960 [1,1,0,0,0,0|2,0,0]=4 525 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-3711883524 [1,1,0,0,0,0|2,0,0]=4 526 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-3867000095 [1,1,0,0,0,0|2,0,0]=4 527 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-4358223174 [1,1,0,0,0,0|2,0,0]=4 528 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-4807487882 [1,1,0,0,0,0|2,0,0]=4 529 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-5140635020 [1,1,0,0,0,0|2,0,0]=4 530 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-6522296758 [1,1,0,0,0,0|2,0,0]=4 531 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-6821495270 [1,1,0,0,0,0|2,0,0]=4 532 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-7561074998 [1,1,0,0,0,0|2,0,0]=4 533 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-8089597216 [1,1,0,0,0,0|2,0,0]=4 534 B9R0.79 O=C(O)C(O)[C@@H](O)C(=O)O MCULE-5751523258 [1,1,0,0,0,0|2,0,0]=4 535 B9R0.79 O=C(O)C(O)[C@@H](O)C(=O)O MCULE-9550173577 [1,1,0,0,0,0|2,0,0]=4 536 B9R0.79 O=C(O)C(O)[C@H](O)C(=O)O MCULE-7402521361 [1,1,0,0,0,0|2,0,0]=4 537 B9R0.79 O=C(O)C(S)C(S)C(=O)O MCULE-6206640169 [1,1,0,0,0,0|2,0,0]=4 538 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-2640391251 [1,1,0,0,0,0|2,0,0]=4 539 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-3329629643 [1,1,0,0,0,0|2,0,0]=4 540 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-3643444072 [1,1,0,0,0,0|2,0,0]=4 541 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-4107297969 [1,1,0,0,0,0|2,0,0]=4 542 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-6410123526 [1,1,0,0,0,0|2,0,0]=4 543 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-6491788082 [1,1,0,0,0,0|2,0,0]=4 544 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-8917357121 [1,1,0,0,0,0|2,0,0]=4 545 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-9727943205 [1,1,0,0,0,0|2,0,0]=4 546 B9R0.79 O=C(O)[C@H](Br)[C@H](Br)C(=O)O MCULE-4542712392 [1,1,0,0,0,0|2,0,0]=4 547 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-1568229930 [1,1,0,0,0,0|2,0,0]=4 548 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-2241188013 [1,1,0,0,0,0|2,0,0]=4 549 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-2831813022 [1,1,0,0,0,0|2,0,0]=4 550 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-3942804599 [1,1,0,0,0,0|2,0,0]=4 551 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-5431486019 [1,1,0,0,0,0|2,0,0]=4 552 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-5579731165 [1,1,0,0,0,0|2,0,0]=4 553 B9R0.79 O=C(O)[C@H](S)[C@H](S)C(=O)O MCULE-4953802229 [1,1,0,0,0,0|2,0,0]=4 554 B9R0.79 [C@@H](N)(C(=O)O)[C@@H](C)C(C)O MCULE-7488780154 [1,1,0,0,0,0|2,0,0]=4 555 B9R0.79 [C@@H](O)(C(=O)O)[C@H](O)C(=O)O MCULE-5798988872 [1,1,0,0,0,0|2,0,0]=4 556 B9R0.79 [C@H](O)(C(=O)O)[C@@H](O)C(=O)O MCULE-9974976226 [1,1,0,0,0,0|2,0,0]=4 557 B9R0.21 COC(=O)CCS(=O)(=O)C MCULE-4450384265 [1,1,0,0,0,0|1,0,0]=3 558 B9R0.21 COC(=O)CCS(=O)(=O)Cl MCULE-9750988258 [1,1,0,0,0,0|1,0,0]=3 559 B9R0.21 COC(=O)CCS(=O)(=O)F MCULE-9045673816 [1,1,0,0,0,0|1,0,0]=3 560 B9R0.21 COC(=O)CCS(=O)(=O)N MCULE-6764009838 [1,1,0,0,0,0|1,0,0]=3 561 B9R0.21 CS(=O)(=O)CCC(=O)CCl MCULE-9373484533 [1,1,0,0,0,0|2,0,0]=4 562 B9R0.64 C=CS(=O)(=O)CCC(=O)N MCULE-5422662835 [1,1,0,0,0,0|2,0,0]=4 563 B9R0.64 CCS(=O)(=O)CCC(=O)O MCULE-6074163165 [1,1,0,0,0,0|1,0,0]=3 564 B9R0.64 CCS(=O)(=O)NCC(=O)O MCULE-6269745813 [1,1,0,0,0,0|2,0,0]=4 565 B9R0.64 CNS(=O)(=O)CCC(=O)O MCULE-4872511761 [1,1,0,0,0,0|1,0,0]=3 566 B9R0.64 CNS(=O)(=O)NCC(=O)O MCULE-3765913828 [1,1,0,0,0,0|2,0,0]=4 567 B9R0.64 NCP(=O)(O)CCC(=O)O MCULE-8895842344 [1,1,0,0,0,0|2,0,0]=4 568 B9R0.77 O=S(=O)(O)CCS(=O)(=O)O MCULE-1278358457 [1,1,0,0,0,0|1,0,0]=3 569 B9R0.32 CCS(=O)(=O)C(C)C(=O)O MCULE-8630070520 [0,1,0,0,1,0|2,0,0]=4 570 B9R0.72 NCC(C(=O)O)S(=O)(=O)O MCULE-2775215296 [0,1,0,0,1,0|0,0,0]=2 571 B9R0.80 CC(C)(C(=O)N)S(=O)(=O)O MCULE-7740975314 [0,1,0,0,1,0|2,0,0]=4 572 B9R0.80 CC(C)(C(=O)O)S(=O)(=O)C MCULE-8100618443 [0,1,0,0,1,0|2,0,0]=4 573 B9R0.80 O=C(O)C(F)(F)S(=O)(=O)F MCULE-7326175124 [0,1,0,0,1,0|2,0,0]=4 574 B9R0.80 O=C(O)C(F)(F)S(=O)(=O)O MCULE-1587050384 [0,1,0,0,1,0|1,0,0]=3 575 B11R0.290 COC(=O)C(N)CCS(=O)(=O)C MCULE-5934025472 [0,1,0,0,0,1|1,0,0]=3 576 B11R0.290 COC(=O)C(N)CCS(=O)(=O)C MCULE-9843278420 [0,1,0,0,0,1|1,0,0]=3 577 B11R0.302 CCS(=O)(=O)CCC(N)C(=O)O MCULE-7170091075 [0,1,0,0,0,1|1,0,0]=3 578 B11R0.429 CC(N)(CCP(=O)(O)O)C(=O)O MCULE-2760958330 [0,1,0,0,0,1|1,0,1]=4 579 B11R0.429 CC(N)(COP(=O)(O)O)C(=O)O MCULE-5462389544 [0,1,0,0,0,1|1,0,1]=4 580 B11R0.429 C[C@@](N)(CCP(=O)(O)O)C(=O)O MCULE-1287669186 [0,1,0,0,0,1|1,0,1]=4 581 B11R0.429 C[C@](N)(CCP(=O)(O)O)C(=O)O MCULE-2264066789 [0,1,0,0,0,1|1,0,1]=4 582 B11R0.64 COC(=O)C(C)C(C)S(=O)(=O)N MCULE-4521929276 [0,2,0,0,0,0|2,0,0]=4 583 B11R0.309 COC(=O)C(C)(C)CS(=O)(=O)Cl MCULE-2214291182 [0,2,0,0,0,0|2,0,0]=4 584 B11R0.309 COC(=O)C(C)(C)CS(=O)(=O)N MCULE-8413181056 [0,2,0,0,0,0|2,0,0]=4 585 B9R1.35 O=C(O)C1CC(CN1)O MCULE-3129945874 [1,0,0,1,0,0|2,0,0]=4 586 B9R1.35 O=C(O)C1CC(CN1)O MCULE-5090896550 [1,0,0,1,0,0|2,0,0]=4 587 B9R1.35 O=C(O)[C@@H]1CC(CN1)O MCULE-9602889253 [1,0,0,1,0,0|2,0,0]=4 588 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O MCULE-2778155463 [1,0,0,1,0,0|2,0,0]=4 589 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O MCULE-3005368457 [1,0,0,1,0,0|2,0,0]=4 590 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O MCULE-3510440810 [1,0,0,1,0,0|2,0,0]=4 591 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O MCULE-6982589556 [1,0,0,1,0,0|2,0,0]=4 592 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O MCULE-8797295826 [1,0,0,1,0,0|2,0,0]=4 593 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O MCULE-4157512603 [1,0,0,1,0,0|2,0,0]=4 594 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O MCULE-5389747201 [1,0,0,1,0,0|2,0,0]=4 595 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O MCULE-6465399562 [1,0,0,1,0,0|2,0,0]=4 596 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O MCULE-7830616263 [1,0,0,1,0,0|2,0,0]=4 597 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O MCULE-1222229718 [1,0,0,1,0,0|2,0,0]=4 598 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O MCULE-1998693022 [1,0,0,1,0,0|2,0,0]=4 599 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O MCULE-3836053642 [1,0,0,1,0,0|2,0,0]=4 600 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O MCULE-4545441904 [1,0,0,1,0,0|2,0,0]=4 601 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O MCULE-8358409700 [1,0,0,1,0,0|2,0,0]=4 602 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)O MCULE-3080568728 [1,0,0,1,0,0|2,0,0]=4 603 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)O MCULE-4521316626 [1,0,0,1,0,0|2,0,0]=4 604 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)O MCULE-5972935636 [1,0,0,1,0,0|2,0,0]=4 605 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)O MCULE-7908625938 [1,0,0,1,0,0|2,0,0]=4 606 B9R1.35 O=C1CC(CO1)C(=O)O MCULE-4876585769 [1,0,0,1,0,0|2,0,0]=4 607 B9R1.35 O=C1CC(NN1)C(=O)O MCULE-3197471189 [1,0,0,1,0,0|2,0,0]=4 608 B9R1.35 O=C1CNC(C1)C(=O)O MCULE-7418065190 [1,0,0,1,0,0|2,0,0]=4 609 B9R1.35 O=C1CNC(C1)C(=O)O MCULE-7697956784 [1,0,0,1,0,0|2,0,0]=4 610 B9R1.35 O=C1CNC(C1)C(=O)O MCULE-9520720032 [1,0,0,1,0,0|2,0,0]=4 611 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-2573903934 [1,0,0,1,0,0|2,0,0]=4 612 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-3585746586 [1,0,0,1,0,0|2,0,0]=4 613 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-4771747932 [1,0,0,1,0,0|2,0,0]=4 614 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-4795592072 [1,0,0,1,0,0|2,0,0]=4 615 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-6928857625 [1,0,0,1,0,0|2,0,0]=4 616 B9R1.35 [C@@H]1(CN[C@H](C1)C(=O)O)O MCULE-3075663401 [1,0,0,1,0,0|2,0,0]=4 617 B9R1.35 [C@H]1(C[C@H](CN1)O)C(=O)O MCULE-3462627258 [1,0,0,1,0,0|2,0,0]=4 618 B9R1.36 NC1CS(=O)(=O)CC1O MCULE-5996491209 [1,0,0,1,0,0|1,0,1]=4 619 B9R1.36 NC1CS(=O)(=O)CC1O MCULE-9643044435 [1,0,0,1,0,0|1,0,1]=4 620 B9R1.36 NC1CS(=O)(=O)NC1=O MCULE-5308687626 [1,0,0,1,0,0|1,0,0]=3 621 B9R1.36 NC1CS(=O)(=O)NC1=O MCULE-7250097397 [1,0,0,1,0,0|1,0,0]=3 622 B9R1.36 N[C@@H]1CS(=O)(=O)C[C@H]1O MCULE-2999812400 [1,0,0,1,0,0|1,0,1]=4 623 B9R1.36 N[C@@H]1CS(=O)(=O)C[C@H]1O MCULE-7643885472 [1,0,0,1,0,0|1,0,1]=4 624 B9R1.36 N[C@@H]1CS(=O)(=O)C[C@H]1O MCULE-8981472864 [1,0,0,1,0,0|1,0,1]=4 625 B9R1.36 N[C@H]1CS(=O)(=O)C[C@@H]1O MCULE-7944639773 [1,0,0,1,0,0|1,0,1]=4 626 B9R1.36 N[C@H]1CS(=O)(=O)C[C@H]1O MCULE-8607278094 [1,0,0,1,0,0|1,0,1]=4 627 B9R1.36 [C@H]1(CS(=O)(=O)C[C@@H]1N)O MCULE-6220718478 [1,0,0,1,0,0|1,0,1]=4 628 B9R1.152 NC1(CC(C1)O)C(=O)O MCULE-8304595021 [1,0,0,1,0,0|2,0,0]=4 629 B9R1.152 NC1(CC(C1)O)C(=O)O MCULE-8353432396 [1,0,0,1,0,0|2,0,0]=4 630 B9R1.152 N[C@@]1(C[C@@H](C1)O)C(=O)O MCULE-3919423791 [1,0,0,1,0,0|2,0,0]=4 631 B9R1.161 O=C(O)C1CC1C(=O)O MCULE-5636831869 [1,0,0,1,0,0|2,0,0]=4 632 B9R1.161 O=C(O)C1CC1N(=O)=O MCULE-4711426088 [1,0,0,1,0,0|2,0,0]=4 633 B9R1.161 O=C(O)C1OC1C(=O)O MCULE-2308875813 [1,0,0,1,0,0|2,0,0]=4 634 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O MCULE-2176178577 [1,0,0,1,0,0|2,0,0]=4 635 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O MCULE-7341169681 [1,0,0,1,0,0|2,0,0]=4 636 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O MCULE-9766210553 [1,0,0,1,0,0|2,0,0]=4 637 B9R1.161 O=C(O)[C@@H]1O[C@H]1C(=O)O MCULE-2854301838 [1,0,0,1,0,0|2,0,0]=4 638 B9R1.161 O=C(O)[C@@H]1O[C@H]1C(=O)O MCULE-7193163448 [1,0,0,1,0,0|2,0,0]=4 639 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(=O)O MCULE-8230558967 [1,0,0,1,0,0|2,0,0]=4 640 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(=O)O MCULE-9433538416 [1,0,0,1,0,0|2,0,0]=4 641 B9R1.161 O=C(O)[C@H]1C[C@H]1C(=O)O MCULE-4280807741 [1,0,0,1,0,0|2,0,0]=4 642 B9R1.161 O=C(O)[C@H]1O[C@H]1C(=O)O MCULE-6088596771 [1,0,0,1,0,0|2,0,0]=4 643 B9R1.164 O=C(O)C1CS(=O)(=O)C1 MCULE-7280424141 [1,0,0,1,0,0|1,0,0]=3 644 B9R1.10 O=C1C=CS(=O)(=O)CC1 MCULE-7430599828 [1,0,0,1,0,0|2,0,0]=4 645 B9R1.10 O=C1CCS(=O)(=O)CC1 MCULE-5397121534 [1,0,0,1,0,0|2,0,0]=4 646 B9R1.51 CS(=O)(=O)C1CC(=O)C1 MCULE-9574583187 [1,0,0,1,0,0|2,0,0]=4 647 B9R1.166 O=C(O)C1CCS1(=O)=O MCULE-9812910264 [0,0,0,1,1,0|2,0,0]=4 648 B11R1.488 NC1CS(=O)(=O)CC1C(=O)O MCULE-3890522043 [0,0,0,1,0,1|1,0,0]=3 649 B11R1.710 O=C(O)CC1C=CS(=O)(=O)C1 MCULE-5713391932 [0,0,0,1,0,1|2,0,0]=4 650 B11R1.710 O=C(O)CC1CCS(=O)(=O)C1 MCULE-3738522082 [0,0,0,1,0,1|2,0,0]=4 651 B11R1.707 CS(=O)(=O)N1CC(C1)C(=O)O MCULE-1331629786 [0,0,0,1,0,1|2,0,0]=4 652 B11R1.707 O=C(O)C1CN(C1)S(=O)(=O)F MCULE-2350324660 [0,0,0,1,0,1|2,0,0]=4 653 B11R1.727 O=C(O)C1CCS(=O)(=O)CC1 MCULE-1947181749 [0,0,0,1,0,1|2,0,0]=4 654 B11R1.738 NC1(CCS(=O)(=O)C1)C(=O)O MCULE-4599248499 [0,0,0,1,0,1|1,0,0]=3 655 B11R1.738 O=C(O)C1(CCS(=O)(=O)C1)F MCULE-1313519489 [0,0,0,1,0,1|2,0,0]=4 656 B11R1.1468 CNC(=O)C1(CS(=O)(=O)C1)N MCULE-9740562992 [0,1,0,1,0,0|2,0,0]=4 657 B11R1.730 O=C(O)C1CCCS(=O)(=O)C1 MCULE-2941931058 [0,1,0,1,0,0|2,0,0]=4 658 B11R1.730 O=C(O)C1CS(=O)(=O)CCN1 MCULE-5588278992 [0,1,0,1,0,0|1,0,0]=3 659 B11R1.730 O=C(O)C1CS(=O)(=O)CCN1 MCULE-6421455090 [0,1,0,1,0,0|1,0,0]=3 660 B11R1.736 CS(=O)(=O)CC1(CC1)C(=O)O MCULE-3610695646 [0,1,0,1,0,0|2,0,0]=4 661 B11R1.1554 COC1(CS(=O)(=O)C1)C(=O)O MCULE-5528292891 [0,1,0,1,0,0|2,0,0]=4 662 B7R0.16 CC(C(=O)O)C(=O)O MCULE-7232226851 [1,0,0,0,1,0|2,0,0]=4 663 B7R0.16 CC(O)C(N)C(=O)O MCULE-1563595722 [1,0,0,0,1,0|2,0,0]=4 664 B7R0.16 CC(O)C(N)C(=O)O MCULE-5581920538 [1,0,0,0,1,0|2,0,0]=4 665 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-1663687439 [1,0,0,0,1,0|2,0,0]=4 666 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-3863591433 [1,0,0,0,1,0|2,0,0]=4 667 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-8080019797 [1,0,0,0,1,0|2,0,0]=4 668 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-9284411012 [1,0,0,0,1,0|2,0,0]=4 669 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-2430667007 [1,0,0,0,1,0|2,0,0]=4 670 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-2676185993 [1,0,0,0,1,0|2,0,0]=4 671 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-5254477364 [1,0,0,0,1,0|2,0,0]=4 672 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-5505393195 [1,0,0,0,1,0|2,0,0]=4 673 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-7379719940 [1,0,0,0,1,0|2,0,0]=4 674 B7R0.16 C[C@H](O)C(N)C(=O)O MCULE-6661175670 [1,0,0,0,1,0|2,0,0]=4 675 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O MCULE-6288272506 [1,0,0,0,1,0|2,0,0]=4 676 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O MCULE-7203096302 [1,0,0,0,1,0|2,0,0]=4 677 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O MCULE-9531951265 [1,0,0,0,1,0|2,0,0]=4 678 B7R0.16 C[C@H](O)[C@H](N)C(=O)O MCULE-2246314901 [1,0,0,0,1,0|2,0,0]=4 679 B7R0.16 C[C@H](O)[C@H](N)C(=O)O MCULE-9478987169 [1,0,0,0,1,0|2,0,0]=4 680 B7R0.16 NC(C(=O)O)C(=O)O MCULE-6118746267 [1,0,0,0,1,0|1,0,0]=3 681 B7R0.16 O=C(O)C(Cl)C(=O)O MCULE-9776364495 [1,0,0,0,1,0|2,0,0]=4 682 B7R0.16 O=C(O)C(F)C(=O)O MCULE-9969055570 [1,0,0,0,1,0|2,0,0]=4 683 B7R0.16 O=C(O)C(O)C(=O)O MCULE-4232935518 [1,0,0,0,1,0|2,0,0]=4 684 B9R0.7 C(N)(CCC(=O)[O-])C(=O)O MCULE-5359010340 [1,0,0,0,0,1|1,0,1]=4 685 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-4063734192 [1,0,0,0,0,1|2,0,0]=4 686 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-6252379108 [1,0,0,0,0,1|2,0,0]=4 687 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-6448707862 [1,0,0,0,0,1|2,0,0]=4 688 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-8255582994 [1,0,0,0,0,1|2,0,0]=4 689 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-2377153563 [1,0,0,0,0,1|2,0,0]=4 690 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-2469027462 [1,0,0,0,0,1|2,0,0]=4 691 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-4796013964 [1,0,0,0,0,1|2,0,0]=4 692 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-9408226443 [1,0,0,0,0,1|2,0,0]=4 693 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-1751945139 [1,0,0,0,0,1|2,0,0]=4 694 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-3822387628 [1,0,0,0,0,1|2,0,0]=4 695 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-6052634347 [1,0,0,0,0,1|2,0,0]=4 696 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-6909390355 [1,0,0,0,0,1|2,0,0]=4 697 B9R0.7 CC(=O)SCC(N)C(=O)O MCULE-2891442308 [1,0,0,0,0,1|2,0,0]=4 698 B9R0.7 CC(=O)SCC(N)C(=O)O MCULE-4623851451 [1,0,0,0,0,1|2,0,0]=4 699 B9R0.7 CC(=O)SC[C@H](N)C(=O)O MCULE-1698125004 [1,0,0,0,0,1|2,0,0]=4 700 B9R0.7 CC(=O)SC[C@H](N)C(=O)O MCULE-6046193594 [1,0,0,0,0,1|2,0,0]=4 701 B9R0.7 CC(CCC(=O)O)C(=O)O MCULE-1523371907 [1,0,0,0,0,1|2,0,0]=4 702 B9R0.7 CC(CCC(=O)O)C(=O)O MCULE-1939523418 [1,0,0,0,0,1|2,0,0]=4 703 B9R0.7 CC(NCC(=O)O)C(=O)O MCULE-1111290878 [1,0,0,0,0,1|2,0,0]=4 704 B9R0.7 CC(NCC(=O)O)C(=O)O MCULE-6569987660 [1,0,0,0,0,1|2,0,0]=4 705 B9R0.7 CC(SCC(=O)O)C(=O)O MCULE-8523268796 [1,0,0,0,0,1|2,0,0]=4 706 B9R0.7 CS(=O)CCC(N)C(=O)O MCULE-2810141962 [1,0,0,0,0,1|1,0,1]=4 707 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O MCULE-3901672243 [1,0,0,0,0,1|1,0,1]=4 708 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O MCULE-3967415982 [1,0,0,0,0,1|1,0,1]=4 709 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O MCULE-6481206030 [1,0,0,0,0,1|1,0,1]=4 710 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O MCULE-6787807393 [1,0,0,0,0,1|1,0,1]=4 711 B9R0.7 CS(=O)CC[C@H](N)C(=O)O MCULE-1832499155 [1,0,0,0,0,1|1,0,1]=4 712 B9R0.7 C[C@@H](CCC(=O)O)C(=O)O MCULE-7515023265 [1,0,0,0,0,1|2,0,0]=4 713 B9R0.7 C[C@H](CCC(=O)O)C(=O)O MCULE-8441860655 [1,0,0,0,0,1|2,0,0]=4 714 B9R0.7 C[C@H](CCC(=O)O)C(=O)O MCULE-9071150671 [1,0,0,0,0,1|2,0,0]=4 715 B9R0.7 C[C@H](NCC(=O)O)C(=O)O MCULE-1511229567 [1,0,0,0,0,1|2,0,0]=4 716 B9R0.7 C[C@H](NCC(=O)O)C(=O)O MCULE-4530562082 [1,0,0,0,0,1|2,0,0]=4 717 B9R0.7 NC(=O)C(N)CCC(=O)O MCULE-7109792615 [1,0,0,0,0,1|2,0,0]=4 718 B9R0.7 NC(=O)C(N)CCC(=O)O MCULE-8741984156 [1,0,0,0,0,1|2,0,0]=4 719 B9R0.7 NC(=O)CCC(N)C(=O)O MCULE-1418655814 [1,0,0,0,0,1|2,0,0]=4 720 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O MCULE-7870225738 [1,0,0,0,0,1|2,0,0]=4 721 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O MCULE-9711806580 [1,0,0,0,0,1|2,0,0]=4 722 B9R0.7 NC(=O)CC[C@H](N)C(=O)O MCULE-7234937947 [1,0,0,0,0,1|2,0,0]=4 723 B9R0.7 NC(=O)CC[C@H](N)C(=O)O MCULE-8718820108 [1,0,0,0,0,1|2,0,0]=4 724 B9R0.7 NC(=O)NCC(N)C(=O)O MCULE-4609961006 [1,0,0,0,0,1|2,0,0]=4 725 B9R0.7 NC(=O)NC[C@@H](N)C(=O)O MCULE-7506737023 [1,0,0,0,0,1|2,0,0]=4 726 B9R0.7 NC(=O)NC[C@H](N)C(=O)O MCULE-3123973606 [1,0,0,0,0,1|2,0,0]=4 727 B9R0.7 NC(=O)SCC(N)C(=O)O MCULE-7865241343 [1,0,0,0,0,1|2,0,0]=4 728 B9R0.7 NC(=O)SC[C@H](N)C(=O)O MCULE-6647567669 [1,0,0,0,0,1|2,0,0]=4 729 B9R0.7 NC(=O)SC[C@H](N)C(=O)O MCULE-7995535877 [1,0,0,0,0,1|2,0,0]=4 730 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O MCULE-7404893649 [1,0,0,0,0,1|2,0,0]=4 731 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O MCULE-7580681383 [1,0,0,0,0,1|2,0,0]=4 732 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-3142698040 [1,0,0,0,0,1|2,0,0]=4 733 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-3865619229 [1,0,0,0,0,1|2,0,0]=4 734 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-8184010011 [1,0,0,0,0,1|2,0,0]=4 735 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-8981731652 [1,0,0,0,0,1|2,0,0]=4 736 B9R0.7 NC(CCC(=O)O)C(=O)O MCULE-4203507491 [1,0,0,0,0,1|1,0,0]=3 737 B9R0.7 NC(CCC(=O)O)C(=O)O MCULE-4600207704 [1,0,0,0,0,1|1,0,0]=3 738 B9R0.7 NC(CCC(=O)O)C(=O)O MCULE-8107432729 [1,0,0,0,0,1|1,0,0]=3 739 B9R0.7 NC(CCC(=O)[O-])C(=O)O MCULE-5012956158 [1,0,0,0,0,1|1,0,1]=4 740 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-6077524166 [1,0,0,0,0,1|1,0,0]=3 741 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-7201150413 [1,0,0,0,0,1|1,0,0]=3 742 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-7328895736 [1,0,0,0,0,1|1,0,0]=3 743 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-7782530856 [1,0,0,0,0,1|1,0,0]=3 744 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-9447720868 [1,0,0,0,0,1|1,0,0]=3 745 B9R0.7 N[C@@H](CCC(=O)O)C(=O)[O-] MCULE-3042990215 [1,0,0,0,0,1|1,0,1]=4 746 B9R0.7 N[C@@H](CCC(=O)[O-])C(=O)O MCULE-2315425063 [1,0,0,0,0,1|1,0,1]=4 747 B9R0.7 N[C@@H](CCC(=O)[O-])C(=O)O MCULE-4367391999 [1,0,0,0,0,1|1,0,1]=4 748 B9R0.7 N[C@H](CCC(=O)O)C(=O)O MCULE-5884691541 [1,0,0,0,0,1|1,0,0]=3 749 B9R0.7 N[C@H](CCC(=O)O)C(=O)O MCULE-6647836957 [1,0,0,0,0,1|1,0,0]=3 750 B9R0.7 O=C(O)CCC(Cl)C(=O)O MCULE-8696439839 [1,0,0,0,0,1|2,0,0]=4 751 B9R0.7 O=C(O)CCC(O)C(=O)O MCULE-5732806069 [1,0,0,0,0,1|2,0,0]=4 752 B9R0.7 O=C(O)CC[C@@H](O)C(=O)O MCULE-2990674754 [1,0,0,0,0,1|2,0,0]=4 753 B9R0.7 O=C(O)CC[C@@H](O)C(=O)O MCULE-9463608806 [1,0,0,0,0,1|2,0,0]=4 754 B9R0.7 O=C(O)CC[C@H](Br)C(=O)O MCULE-3541564241 [1,0,0,0,0,1|2,0,0]=4 755 B9R0.7 O=C(O)CC[C@H](Br)C(=O)O MCULE-5484001209 [1,0,0,0,0,1|2,0,0]=4 756 B9R0.7 O=C(O)CC[C@H](Cl)C(=O)O MCULE-4338578978 [1,0,0,0,0,1|2,0,0]=4 757 B9R0.7 O=C(O)CC[C@H](O)C(=O)O MCULE-4494756126 [1,0,0,0,0,1|2,0,0]=4 758 B9R0.7 P(=O)(O)CC[C@H](N)C(=O)O MCULE-2875179933 [1,0,0,0,0,1|1,0,0]=3 759 B9R0.7 [C@H](N)(CCC(=O)O)C(=O)N MCULE-1881473683 [1,0,0,0,0,1|2,0,0]=4 760 B9R0.7 [C@H](N)(CCC(=O)O)C(=O)O MCULE-8526087521 [1,0,0,0,0,1|1,0,0]=3 761 B9R0.7 [C@H](N)(CCS(=O)C)C(=O)O MCULE-2995684872 [1,0,0,0,0,1|1,0,1]=4 762 B9R0.7 [C@H](O)(CCC(=O)O)C(=O)O MCULE-8564542509 [1,0,0,0,0,1|2,0,0]=4 763 B9R0.53 CC(CC(=O)O)CC(=O)O MCULE-7399673381 [1,0,0,0,0,1|2,0,0]=4 764 B9R0.53 NC(CC(=O)O)CC(=O)O MCULE-4205352281 [1,0,0,0,0,1|1,0,0]=3 765 B9R0.53 NC(CC(=O)O)CC(=O)O MCULE-5754399431 [1,0,0,0,0,1|1,0,0]=3 766 B9R0.53 NN(CC(=O)O)CC(=O)O MCULE-6707699178 [1,0,0,0,0,1|2,0,0]=4 767 B9R0.53 O=C(O)CC(O)CC(=O)O MCULE-7670149511 [1,0,0,0,0,1|2,0,0]=4 768 B9R0.56 CC(=N)OCCS(=O)(=O)O MCULE-2405838300 [1,0,0,0,0,1|2,0,0]=4 769 B9R0.56 CC(=O)NCCS(=O)(=O)N MCULE-7071799992 [1,0,0,0,0,1|2,0,0]=4 770 B9R0.56 CC(=O)NCCS(=O)(=O)O MCULE-4053951959 [1,0,0,0,0,1|1,0,0]=3 771 B9R0.56 CC(=O)OCCS(=O)(=O)Cl MCULE-8522441566 [1,0,0,0,0,1|2,0,0]=4 772 B9R0.56 CC(=O)SCCS(=O)(=O)O MCULE-4519705338 [1,0,0,0,0,1|1,0,0]=3 773 B9R0.56 CC(=O)SCCS(=O)(=O)[O-] MCULE-9143616669 [1,0,0,0,0,1|1,0,1]=4 774 B9R0.56 CS(=O)(=O)CCCC(=O)O MCULE-2515518184 [1,0,0,0,0,1|1,0,0]=3 775 B9R0.56 CS(=O)(=O)CCOC(=O)Cl MCULE-7479796506 [1,0,0,0,0,1|2,0,0]=4 776 B9R0.56 CS(=O)(=O)NCCC(=O)O MCULE-7823027792 [1,0,0,0,0,1|1,0,0]=3 777 B9R0.56 CS(=O)(=O)SCCC(=O)N MCULE-9213338856 [1,0,0,0,0,1|2,0,0]=4 778 B9R0.56 N=C(N)NCCS(=O)(=O)O MCULE-8763764734 [1,0,0,0,0,1|2,0,0]=4 779 B9R0.56 N=C(N)SCCS(=O)(=O)O MCULE-4502346901 [1,0,0,0,0,1|2,0,0]=4 780 B9R0.56 NC(=O)NCCS(=O)(=O)O MCULE-6567400181 [1,0,0,0,0,1|1,0,0]=3 781 B9R0.56 NS(=O)(=O)CCCC(=O)O MCULE-8548216682 [1,0,0,0,0,1|1,0,0]=3 782 B9R0.56 NS(=O)(=O)NCCC(=O)O MCULE-7564527970 [1,0,0,0,0,1|1,0,0]=3 783 B9R0.56 O=C(O)CCCP(=O)(O)O MCULE-9510971866 [1,0,0,0,0,1|1,0,1]=4 784 B9R0.56 O=C(O)CNCP(=O)(O)O MCULE-3308266821 [1,0,0,0,0,1|1,0,1]=4 785 B11R0.318 NC(CC=CP(=O)(O)O)C(=O)O MCULE-8316215091 [0,0,0,0,0,2|1,0,1]=4 786 B11R0.318 NC(CCCP(=O)(O)O)C(=O)O MCULE-8623591326 [0,0,0,0,0,2|1,0,1]=4 787 B11R0.318 NC(CCCP(=O)([O-])O)C(=O)O MCULE-7628102703 [0,0,0,0,0,2|1,0,1]=4 788 B11R0.318 N[C@@H](CCCP(=O)(O)O)C(=O)O MCULE-4298011103 [0,0,0,0,0,2|1,0,1]=4 789 B11R0.318 N[C@@H](CCCP(=O)([O-])O)C(=O)O MCULE-2274115416 [0,0,0,0,0,2|1,0,1]=4 790 B11R0.318 N[C@H](CCCP(=O)(O)O)C(=O)O MCULE-4903649245 [0,0,0,0,0,2|1,0,1]=4 791 B11R0.318 N[C@H](CCCP(=O)(O)O)C(=O)O MCULE-6840301080 [0,0,0,0,0,2|1,0,1]=4