0 B9R0.79 C=C(O)[C@@H](O)[C@@H](O)C(=C)O MCULE-4802689848 [0,0,0,0,0,0|3,0,1]=4 1 B9R0.79 CC(=O)C(C)C(C)C(=O)C MCULE-1642593127 [0,0,0,0,0,0|4,0,0]=4 2 B9R0.79 CC(=O)N(C)C(C)C(=O)O MCULE-8770175961 [0,0,0,0,0,0|4,0,0]=4 3 B9R0.79 CC(C(=O)O)C(C)C(=O)O MCULE-6112773421 [0,0,0,0,0,0|3,0,0]=3 4 B9R0.79 CC(C(=O)O)C(N)C(=O)O MCULE-7699599383 [0,0,0,0,0,0|2,0,0]=2 5 B9R0.79 CC(C(=O)O)C(O)C(=O)O MCULE-1644748819 [0,0,0,0,0,0|2,0,0]=2 6 B9R0.79 CC(C(=O)O)[C@H](N)C(=O)O MCULE-1516476673 [0,0,0,0,0,0|2,0,0]=2 7 B9R0.79 CC(C)C(O)C(N)C(=O)O MCULE-8766263714 [0,0,0,0,0,0|2,0,1]=3 8 B9R0.79 CC(C)C(O)[C@H](N)C(=O)O MCULE-5332720895 [0,0,0,0,0,0|2,0,1]=3 9 B9R0.79 CC(C)[C@@H](O)[C@@H](C)C(=O)O MCULE-5667397461 [0,0,0,0,0,0|3,0,1]=4 10 B9R0.79 CC(C)[C@@H](O)[C@@H](N)C(=O)O MCULE-2425417830 [0,0,0,0,0,0|2,0,1]=3 11 B9R0.79 CC(C)[C@@H](O)[C@H](N)C(=O)O MCULE-5438285037 [0,0,0,0,0,0|2,0,1]=3 12 B9R0.79 CC(C)[C@@H](O)[C@H](N)C(=O)O MCULE-6278820254 [0,0,0,0,0,0|2,0,1]=3 13 B9R0.79 CC(C)[C@@H](O)[C@H](N)C(=O)O MCULE-7542741263 [0,0,0,0,0,0|2,0,1]=3 14 B9R0.79 CC(C)[C@@H](O)[C@H](N)C(=O)O MCULE-8101644962 [0,0,0,0,0,0|2,0,1]=3 15 B9R0.79 CC(C)[C@H](O)[C@@H](N)C(=O)O MCULE-6429723072 [0,0,0,0,0,0|2,0,1]=3 16 B9R0.79 CC(C)[C@H](O)[C@@H](N)C(=O)O MCULE-8455636907 [0,0,0,0,0,0|2,0,1]=3 17 B9R0.79 CC(C)[C@H](O)[C@H](N)C(=O)O MCULE-9657202987 [0,0,0,0,0,0|2,0,1]=3 18 B9R0.79 CC(C)[C@H](O)[C@H](N)C(=O)O MCULE-9762128000 [0,0,0,0,0,0|2,0,1]=3 19 B9R0.79 CC(O)C(C)C(N)C(=O)O MCULE-2897656809 [0,0,0,0,0,0|2,0,2]=4 20 B9R0.79 CC(O)[C@H](C)[C@H](N)C(=O)O MCULE-6535308910 [0,0,0,0,0,0|2,0,2]=4 21 B9R0.79 CC(O)[C@H](C)[C@H](N)C(=O)O MCULE-8450789997 [0,0,0,0,0,0|2,0,2]=4 22 B9R0.79 C[C@H](C(=O)O)[C@@H](C)C(=O)O MCULE-1961663558 [0,0,0,0,0,0|3,0,0]=3 23 B9R0.79 C[C@H](C(=O)O)[C@@H](N)C(=O)O MCULE-1232463081 [0,0,0,0,0,0|2,0,0]=2 24 B9R0.79 C[C@H](C(=O)O)[C@H](N)C(=O)O MCULE-3277052139 [0,0,0,0,0,0|2,0,0]=2 25 B9R0.79 C[C@H](O)[C@H](C)[C@H](N)C(=O)O MCULE-1376333194 [0,0,0,0,0,0|2,0,2]=4 26 B9R0.79 C[C@H](O)[C@H](C)[C@H](N)C(=O)O MCULE-4005119004 [0,0,0,0,0,0|2,0,2]=4 27 B9R0.79 NC(=O)C(O)C(O)C(=O)N MCULE-9698453363 [0,0,0,0,0,0|2,0,0]=2 28 B9R0.79 NC(C(=O)O)C(N)C(=O)O MCULE-8316230798 [0,0,0,0,0,0|2,0,0]=2 29 B9R0.79 NC(C(=O)O)C(O)C(=O)O MCULE-9532787420 [0,0,0,0,0,0|1,0,0]=1 30 B9R0.79 N[C@@H](C(=O)O)[C@@H](F)C(=O)O MCULE-2171226271 [0,0,0,0,0,0|2,0,0]=2 31 B9R0.79 N[C@H](C(=O)O)[C@@H](N)C(=O)O MCULE-6540811499 [0,0,0,0,0,0|2,0,0]=2 32 B9R0.79 N[C@H](C(=O)O)[C@H](O)C(=O)O MCULE-1913101511 [0,0,0,0,0,0|1,0,0]=1 33 B9R0.79 N[C@H](C(=O)O)[C@H](O)C(=O)O MCULE-9488918896 [0,0,0,0,0,0|1,0,0]=1 34 B9R0.79 O=C(O)/C(=C(\O)/C(=O)O)/O MCULE-4694187983 [0,0,0,0,0,0|2,0,2]=4 35 B9R0.79 O=C(O)C(=C(O)C(=O)O)O MCULE-1231900319 [0,0,0,0,0,0|2,0,2]=4 36 B9R0.79 O=C(O)C(Br)C(Br)C(=O)O MCULE-5784765255 [0,0,0,0,0,0|3,0,0]=3 37 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-1129308393 [0,0,0,0,0,0|2,0,0]=2 38 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-2045308981 [0,0,0,0,0,0|2,0,0]=2 39 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-2628563960 [0,0,0,0,0,0|2,0,0]=2 40 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-3711883524 [0,0,0,0,0,0|2,0,0]=2 41 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-3867000095 [0,0,0,0,0,0|2,0,0]=2 42 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-4358223174 [0,0,0,0,0,0|2,0,0]=2 43 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-4807487882 [0,0,0,0,0,0|2,0,0]=2 44 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-5140635020 [0,0,0,0,0,0|2,0,0]=2 45 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-6522296758 [0,0,0,0,0,0|2,0,0]=2 46 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-6821495270 [0,0,0,0,0,0|2,0,0]=2 47 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-7561074998 [0,0,0,0,0,0|2,0,0]=2 48 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-8089597216 [0,0,0,0,0,0|2,0,0]=2 49 B9R0.79 O=C(O)C(O)[C@@H](O)C(=O)O MCULE-5751523258 [0,0,0,0,0,0|2,0,0]=2 50 B9R0.79 O=C(O)C(O)[C@@H](O)C(=O)O MCULE-9550173577 [0,0,0,0,0,0|2,0,0]=2 51 B9R0.79 O=C(O)C(O)[C@H](O)C(=O)O MCULE-7402521361 [0,0,0,0,0,0|2,0,0]=2 52 B9R0.79 O=C(O)C(S)C(S)C(=O)O MCULE-6206640169 [0,0,0,0,0,0|2,1,0]=3 53 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-2640391251 [0,0,0,0,0,0|2,0,0]=2 54 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-3329629643 [0,0,0,0,0,0|2,0,0]=2 55 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-3643444072 [0,0,0,0,0,0|2,0,0]=2 56 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-4107297969 [0,0,0,0,0,0|2,0,0]=2 57 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-6410123526 [0,0,0,0,0,0|2,0,0]=2 58 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-6491788082 [0,0,0,0,0,0|2,0,0]=2 59 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-8917357121 [0,0,0,0,0,0|2,0,0]=2 60 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-9727943205 [0,0,0,0,0,0|2,0,0]=2 61 B9R0.79 O=C(O)[C@H](Br)[C@H](Br)C(=O)O MCULE-4542712392 [0,0,0,0,0,0|3,0,0]=3 62 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-1568229930 [0,0,0,0,0,0|2,0,0]=2 63 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-2241188013 [0,0,0,0,0,0|2,0,0]=2 64 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-2831813022 [0,0,0,0,0,0|2,0,0]=2 65 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-3942804599 [0,0,0,0,0,0|2,0,0]=2 66 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-5431486019 [0,0,0,0,0,0|2,0,0]=2 67 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-5579731165 [0,0,0,0,0,0|2,0,0]=2 68 B9R0.79 O=C(O)[C@H](S)[C@H](S)C(=O)O MCULE-4953802229 [0,0,0,0,0,0|2,1,0]=3 69 B9R0.79 O=C([O-])C(O)C(O)C(=O)O MCULE-7425540478 [0,0,0,0,0,0|2,0,0]=2 70 B9R0.79 O=C([O-])C(O)C(O)C(=O)O MCULE-8338522673 [0,0,0,0,0,0|2,0,0]=2 71 B9R0.79 O=C([O-])C(O)C(O)C(=O)[O-] MCULE-1120076524 [0,0,0,0,0,0|2,0,1]=3 72 B9R0.79 O=C([O-])C(O)C(O)C(=O)[O-] MCULE-4518735246 [0,0,0,0,0,0|2,0,1]=3 73 B9R0.79 O=C([O-])[C@@H](O)[C@H](O)C(=O)O MCULE-2803273406 [0,0,0,0,0,0|2,0,0]=2 74 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)O MCULE-3429484887 [0,0,0,0,0,0|2,0,0]=2 75 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)O MCULE-5385898917 [0,0,0,0,0,0|2,0,0]=2 76 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)O MCULE-9680288022 [0,0,0,0,0,0|2,0,0]=2 77 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)[O-] MCULE-5904390200 [0,0,0,0,0,0|2,0,1]=3 78 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)[O-] MCULE-7305038555 [0,0,0,0,0,0|2,0,1]=3 79 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)[O-] MCULE-9168226203 [0,0,0,0,0,0|2,0,1]=3 80 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)[O-] MCULE-9463773027 [0,0,0,0,0,0|2,0,1]=3 81 B9R0.79 [C@@H](N)(C(=O)O)[C@@H](C)C(C)O MCULE-7488780154 [0,0,0,0,0,0|2,0,2]=4 82 B9R0.79 [C@@H](O)(C(=O)O)[C@H](O)C(=O)O MCULE-5798988872 [0,0,0,0,0,0|2,0,0]=2 83 B9R0.79 [C@H](O)(C(=O)O)[C@@H](O)C(=O)O MCULE-9974976226 [0,0,0,0,0,0|2,0,0]=2 84 B9R0.79 [C@H](O)(C(=O)[O-])[C@@H](O)C(=O)O MCULE-7449957572 [0,0,0,0,0,0|2,0,0]=2 85 B8R0.2 C=CC(C)C(C)C(=O)O MCULE-6762624939 [1,0,0,0,0,0|3,0,0]=4 86 B8R0.2 CC(=O)C(O)C(O)CO MCULE-1853649042 [1,0,0,0,0,0|2,0,1]=4 87 B8R0.2 CC(=O)[C@@H](O)[C@H](O)CO MCULE-9565941206 [1,0,0,0,0,0|2,0,1]=4 88 B8R0.2 CC(O)C(O)C(O)C=O MCULE-2576273900 [1,0,0,0,0,0|2,0,1]=4 89 B8R0.2 CCC(C)C(N)C(=O)O MCULE-9861955295 [1,0,0,0,0,0|2,0,1]=4 90 B8R0.2 CCC(C)C(O)C(=O)N MCULE-2649023234 [1,0,0,0,0,0|2,0,1]=4 91 B8R0.2 CCC(O)C(C)C(=O)O MCULE-7278088016 [1,0,0,0,0,0|2,0,1]=4 92 B8R0.2 CCC(O)C(N)C(=O)O MCULE-5277569808 [1,0,0,0,0,0|1,0,1]=3 93 B8R0.2 CCC(O)[C@H](N)C(=O)O MCULE-7480930876 [1,0,0,0,0,0|1,0,1]=3 94 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O MCULE-1413119398 [1,0,0,0,0,0|2,0,1]=4 95 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O MCULE-5186925599 [1,0,0,0,0,0|2,0,1]=4 96 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O MCULE-2706440971 [1,0,0,0,0,0|2,0,1]=4 97 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O MCULE-8101207882 [1,0,0,0,0,0|2,0,1]=4 98 B8R0.2 CC[C@@H](O)[C@H](N)C(=O)O MCULE-1048734191 [1,0,0,0,0,0|1,0,1]=3 99 B8R0.2 CC[C@@H](O)[C@H](N)C(=O)O MCULE-1935827385 [1,0,0,0,0,0|1,0,1]=3 100 B8R0.2 CC[C@@H](O)[C@H](N)C(=O)O MCULE-8753855708 [1,0,0,0,0,0|1,0,1]=3 101 B8R0.2 CC[C@@H](O)[C@H](N)C(=O)O MCULE-9854510560 [1,0,0,0,0,0|1,0,1]=3 102 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O MCULE-1200159118 [1,0,0,0,0,0|2,0,1]=4 103 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O MCULE-1359318144 [1,0,0,0,0,0|2,0,1]=4 104 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O MCULE-9629903099 [1,0,0,0,0,0|2,0,1]=4 105 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O MCULE-2215911951 [1,0,0,0,0,0|2,0,1]=4 106 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O MCULE-3217669453 [1,0,0,0,0,0|2,0,1]=4 107 B8R0.2 CC[C@H](O)[C@@H](N)C(=O)O MCULE-2118005753 [1,0,0,0,0,0|1,0,1]=3 108 B8R0.2 CC[C@H](O)[C@@H](N)C(=O)O MCULE-2420221886 [1,0,0,0,0,0|1,0,1]=3 109 B8R0.2 CC[C@H](O)[C@@H](N)C(=O)O MCULE-7168739287 [1,0,0,0,0,0|1,0,1]=3 110 B8R0.2 CC[C@H](O)[C@@H](N)C(=O)O MCULE-7351381830 [1,0,0,0,0,0|1,0,1]=3 111 B8R0.2 CO[C@@H](C)[C@@H](N)C(=O)O MCULE-2479965444 [1,0,0,0,0,0|3,0,0]=4 112 B8R0.2 CO[C@@H](C)[C@@H](N)C(=O)O MCULE-3288712191 [1,0,0,0,0,0|3,0,0]=4 113 B8R0.2 CO[C@@H](C)[C@@H](N)C(=O)O MCULE-6827226453 [1,0,0,0,0,0|3,0,0]=4 114 B8R0.2 CO[C@@H](C)[C@H](N)C(=O)O MCULE-6762158780 [1,0,0,0,0,0|3,0,0]=4 115 B8R0.2 CO[C@@H](C)[C@H](N)C(=O)O MCULE-9087542117 [1,0,0,0,0,0|3,0,0]=4 116 B8R0.2 CO[C@H](C)[C@@H](N)C(=O)O MCULE-6235935164 [1,0,0,0,0,0|3,0,0]=4 117 B8R0.2 CO[C@H](C)[C@@H](N)C(=O)O MCULE-6758536252 [1,0,0,0,0,0|3,0,0]=4 118 B8R0.2 CO[C@H](C)[C@H](N)C(=O)O MCULE-7334607468 [1,0,0,0,0,0|3,0,0]=4 119 B8R0.2 CO[C@H](C)[C@H](N)C(=O)O MCULE-8564530384 [1,0,0,0,0,0|3,0,0]=4 120 B8R0.2 CSC(C)C(N)C(=O)O MCULE-6226096646 [1,0,0,0,0,0|3,0,0]=4 121 B8R0.2 C[C@@H](O)[C@@H](O)[C@@H](O)C=O MCULE-1942337033 [1,0,0,0,0,0|2,0,1]=4 122 B8R0.2 C[C@@H](O)[C@@H](O)[C@@H](O)C=O MCULE-4131864005 [1,0,0,0,0,0|2,0,1]=4 123 B8R0.2 C[C@H](O)[C@H](O)[C@@H](O)C=O MCULE-8061692459 [1,0,0,0,0,0|2,0,1]=4 124 B8R0.2 C[C@H](O)[C@H](O)[C@H](O)C=O MCULE-5963868974 [1,0,0,0,0,0|2,0,1]=4 125 B8R0.2 O=C(O)C(O)C(O)CO MCULE-1397527919 [1,0,0,0,0,0|1,0,2]=4 126 B8R0.2 O=C(O)[C@H](O)[C@H](O)CO MCULE-1531474304 [1,0,0,0,0,0|1,0,2]=4 127 B8R0.2 O=C(O)[C@H](O)[C@H](O)CO MCULE-3829421433 [1,0,0,0,0,0|1,0,2]=4 128 B8R0.2 O=C([O-])C(O)C(O)CO MCULE-4453733473 [1,0,0,0,0,0|2,0,1]=4 129 B8R0.2 O=C([O-])[C@H](O)[C@H](O)CO MCULE-1044422592 [1,0,0,0,0,0|2,0,1]=4 130 B8R0.2 O=C([O-])[C@H](O)[C@H](O)CO MCULE-1805281668 [1,0,0,0,0,0|2,0,1]=4 131 B8R0.23 C(N)(CC(C)C)C(=O)O MCULE-7664540924 [1,0,0,0,0,0|2,0,1]=4 132 B8R0.23 C(N)(CS(=O)C)C(=O)O MCULE-3320985154 [1,0,0,0,0,0|2,0,0]=3 133 B8R0.23 C=C(Br)CC(N)C(=O)O MCULE-2311003313 [1,0,0,0,0,0|2,0,0]=3 134 B8R0.23 C=C(Br)C[C@@H](N)C(=O)O MCULE-2061865879 [1,0,0,0,0,0|2,0,0]=3 135 B8R0.23 C=C(Br)C[C@@H](N)C(=O)O MCULE-6617690939 [1,0,0,0,0,0|2,0,0]=3 136 B8R0.23 C=C(Br)C[C@H](N)C(=O)O MCULE-2602336550 [1,0,0,0,0,0|2,0,0]=3 137 B8R0.23 C=C(Br)C[C@H](N)C(=O)O MCULE-9274484893 [1,0,0,0,0,0|2,0,0]=3 138 B8R0.23 C=C(C)C(N)CC(=O)O MCULE-5527747045 [1,0,0,0,0,0|3,0,0]=4 139 B8R0.23 C=C(C)CC(C)C(=O)O MCULE-7268483710 [1,0,0,0,0,0|3,0,0]=4 140 B8R0.23 C=C(C)CC(N)C(=O)O MCULE-5915882776 [1,0,0,0,0,0|2,0,0]=3 141 B8R0.23 C=C(C)C[C@@H](N)C(=O)O MCULE-2841714882 [1,0,0,0,0,0|2,0,0]=3 142 B8R0.23 C=C(C)C[C@H](C)C(=O)O MCULE-9053114079 [1,0,0,0,0,0|3,0,0]=4 143 B8R0.23 C=C(C)C[C@H](N)C(=O)O MCULE-1029058491 [1,0,0,0,0,0|2,0,0]=3 144 B8R0.23 C=C(C)C[C@H](N)C(=O)O MCULE-6974720260 [1,0,0,0,0,0|2,0,0]=3 145 B8R0.23 C=C(C)[C@@H](O)CC(=O)O MCULE-9399932923 [1,0,0,0,0,0|2,0,0]=3 146 B8R0.23 C=C(CC(=O)O)C(=O)O MCULE-5221256796 [1,0,0,0,0,0|2,0,1]=4 147 B8R0.23 C=C(Cl)CC(N)C(=O)O MCULE-3498417929 [1,0,0,0,0,0|2,0,0]=3 148 B8R0.23 C=C(Cl)CC(N)C(=O)O MCULE-7451890779 [1,0,0,0,0,0|2,0,0]=3 149 B8R0.23 CC(=NC(=O)N)C(=O)O MCULE-5921330982 [1,0,0,0,0,0|2,0,1]=4 150 B8R0.23 CC(=O)C(C)CC(=O)O MCULE-9095166615 [1,0,0,0,0,0|2,0,0]=3 151 B8R0.23 CC(=O)C(N)CC(=O)O MCULE-7043175556 [1,0,0,0,0,0|2,0,0]=3 152 B8R0.23 CC(=O)CC(C)C(=O)O MCULE-4640477792 [1,0,0,0,0,0|2,0,0]=3 153 B8R0.23 CC(=O)CC(N)C(=O)O MCULE-6275652695 [1,0,0,0,0,0|1,0,0]=2 154 B8R0.23 CC(=O)CC(N)C(=O)O MCULE-6690241894 [1,0,0,0,0,0|1,0,0]=2 155 B8R0.23 CC(=O)CC(O)C(=O)C MCULE-3447949844 [1,0,0,0,0,0|2,0,0]=3 156 B8R0.23 CC(=O)CC(O)C(=O)O MCULE-4728629069 [1,0,0,0,0,0|2,0,0]=3 157 B8R0.23 CC(=O)CC(O)[C@H](C)N MCULE-3417979643 [1,0,0,0,0,0|2,0,1]=4 158 B8R0.23 CC(=O)N(C)CC(=O)O MCULE-1037482941 [1,0,0,0,0,0|3,0,0]=4 159 B8R0.23 CC(=O)NC(C)C(=O)O MCULE-1209958700 [1,0,0,0,0,0|3,0,0]=4 160 B8R0.23 CC(=O)NC(C)C(=O)O MCULE-6844686208 [1,0,0,0,0,0|3,0,0]=4 161 B8R0.23 CC(=O)N[C@@H](C)C(=O)N MCULE-9322824133 [1,0,0,0,0,0|3,0,0]=4 162 B8R0.23 CC(=O)N[C@@H](C)C(=O)N MCULE-9348799148 [1,0,0,0,0,0|3,0,0]=4 163 B8R0.23 CC(=O)N[C@@H](C)C(=O)O MCULE-7453059048 [1,0,0,0,0,0|3,0,0]=4 164 B8R0.23 CC(=O)N[C@@H](C)C(=O)O MCULE-9637570463 [1,0,0,0,0,0|3,0,0]=4 165 B8R0.23 CC(=O)N[C@H](C)C(=O)O MCULE-1908712348 [1,0,0,0,0,0|3,0,0]=4 166 B8R0.23 CC(=O)N[C@H](C)C(=O)O MCULE-3023888296 [1,0,0,0,0,0|3,0,0]=4 167 B8R0.23 CC(=O)OC(C)C(=O)O MCULE-6745958064 [1,0,0,0,0,0|3,0,0]=4 168 B8R0.23 CC(=O)OC(C)C(=O)O MCULE-8940501529 [1,0,0,0,0,0|3,0,0]=4 169 B8R0.23 CC(=O)O[C@@H](C)C(=O)O MCULE-7850132202 [1,0,0,0,0,0|3,0,0]=4 170 B8R0.23 CC(=O)O[C@@H](C)C(=O)O MCULE-9087871033 [1,0,0,0,0,0|3,0,0]=4 171 B8R0.23 CC(=O)O[C@H](C)C(=O)O MCULE-3788243723 [1,0,0,0,0,0|3,0,0]=4 172 B8R0.23 CC(=O)O[C@H](C)C(=O)O MCULE-8696299139 [1,0,0,0,0,0|3,0,0]=4 173 B8R0.23 CC(C)C(O)CC(=O)O MCULE-2577623422 [1,0,0,0,0,0|2,0,1]=4 174 B8R0.23 CC(C)CC(N)C(=O)O MCULE-2550986320 [1,0,0,0,0,0|2,0,1]=4 175 B8R0.23 CC(C)CC(N)C(=O)O MCULE-7657212416 [1,0,0,0,0,0|2,0,1]=4 176 B8R0.23 CC(C)C[C@@H](N)C(=O)O MCULE-3041792060 [1,0,0,0,0,0|2,0,1]=4 177 B8R0.23 CC(C)C[C@@H](N)C(=O)O MCULE-8280206722 [1,0,0,0,0,0|2,0,1]=4 178 B8R0.23 CC(C)C[C@H](N)C(=O)O MCULE-4718215038 [1,0,0,0,0,0|2,0,1]=4 179 B8R0.23 CC(C)C[C@H](N)C(=O)O MCULE-4930237913 [1,0,0,0,0,0|2,0,1]=4 180 B8R0.23 CC(C)C[C@H](N)C(=O)O MCULE-8722899457 [1,0,0,0,0,0|2,0,1]=4 181 B8R0.23 CC(C)[C@@H](O)CC(=O)O MCULE-6946774834 [1,0,0,0,0,0|2,0,1]=4 182 B8R0.23 CC(CC(=O)Cl)C(=O)Cl MCULE-1409735811 [1,0,0,0,0,0|3,0,0]=4 183 B8R0.23 CC(CC(=O)N)C(=O)O MCULE-8238400356 [1,0,0,0,0,0|1,0,0]=2 184 B8R0.23 CC(CC(=O)O)C(=O)O MCULE-4824634360 [1,0,0,0,0,0|2,0,0]=3 185 B8R0.23 CC(CC(=O)O)C(=O)O MCULE-8116748590 [1,0,0,0,0,0|2,0,0]=3 186 B8R0.23 CC(CS(=O)C)C(=O)O MCULE-4855592077 [1,0,0,0,0,0|3,0,0]=4 187 B8R0.23 CC(NC(=N)N)C(=O)O MCULE-1509115617 [1,0,0,0,0,0|3,0,0]=4 188 B8R0.23 CC(NC(=O)N)C(=O)O MCULE-9370944250 [1,0,0,0,0,0|2,0,0]=3 189 B8R0.23 CC(O)C(N)CC(=O)O MCULE-5161755443 [1,0,0,0,0,0|2,0,1]=4 190 B8R0.23 CC(O)C(N)CC(=O)O MCULE-6370326858 [1,0,0,0,0,0|2,0,1]=4 191 B8R0.23 CN(C)CC(N)C(=O)O MCULE-4589211472 [1,0,0,0,0,0|3,0,0]=4 192 B8R0.23 CN(C)CC(N)C(=O)O MCULE-4873136690 [1,0,0,0,0,0|3,0,0]=4 193 B8R0.23 CN(C)C[C@@H](N)C(=O)O MCULE-7056570231 [1,0,0,0,0,0|3,0,0]=4 194 B8R0.23 CN(C)C[C@H](N)C(=O)O MCULE-1155351106 [1,0,0,0,0,0|3,0,0]=4 195 B8R0.23 CN(C)C[C@H](N)C(=O)O MCULE-2217543416 [1,0,0,0,0,0|3,0,0]=4 196 B8R0.23 CN(C)C[C@H](N)C(=O)O MCULE-6989814495 [1,0,0,0,0,0|3,0,0]=4 197 B8R0.23 CN(C)C[C@H](N)C(=O)O MCULE-7529109312 [1,0,0,0,0,0|3,0,0]=4 198 B8R0.23 CN(CC(=O)O)C(=N)N MCULE-3625061513 [1,0,0,0,0,0|3,0,0]=4 199 B8R0.23 CN(CC(=O)O)C(=N)N MCULE-4950835709 [1,0,0,0,0,0|3,0,0]=4 200 B8R0.23 CN(CC(=O)O)C(=N)N MCULE-5131797215 [1,0,0,0,0,0|3,0,0]=4 201 B8R0.23 CN(CC(=O)O)C(=O)N MCULE-6739535875 [1,0,0,0,0,0|2,0,0]=3 202 B8R0.23 CS(=O)CC(N)C(=O)O MCULE-5699602621 [1,0,0,0,0,0|2,0,0]=3 203 B8R0.23 CS(=O)C[C@@H](N)C(=O)O MCULE-8253087333 [1,0,0,0,0,0|2,0,0]=3 204 B8R0.23 CS(=O)C[C@H](N)C(=O)O MCULE-5080098254 [1,0,0,0,0,0|2,0,0]=3 205 B8R0.23 C[C@@H](CC(=O)O)C(=O)O MCULE-1711994689 [1,0,0,0,0,0|2,0,0]=3 206 B8R0.23 C[C@@H](CC(=O)O)C(=O)O MCULE-6107805812 [1,0,0,0,0,0|2,0,0]=3 207 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-1416044737 [1,0,0,0,0,0|2,0,1]=4 208 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-2990511228 [1,0,0,0,0,0|2,0,1]=4 209 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-3178455647 [1,0,0,0,0,0|2,0,1]=4 210 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-4413833682 [1,0,0,0,0,0|2,0,1]=4 211 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-7332826518 [1,0,0,0,0,0|2,0,1]=4 212 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-7552978009 [1,0,0,0,0,0|2,0,1]=4 213 B8R0.23 C[C@H](CC(=O)O)C(=O)O MCULE-2738295504 [1,0,0,0,0,0|2,0,0]=3 214 B8R0.23 C[C@H](CC(=O)O)C(=O)O MCULE-4544789339 [1,0,0,0,0,0|2,0,0]=3 215 B8R0.23 C[C@H](Cl)C[C@H](N)C(=O)O MCULE-5195061270 [1,0,0,0,0,0|2,0,1]=4 216 B8R0.23 C[C@H](Cl)C[C@H](N)C(=O)O MCULE-5975065356 [1,0,0,0,0,0|2,0,1]=4 217 B8R0.23 C[C@H](NC(=O)N)C(=O)O MCULE-7947685696 [1,0,0,0,0,0|2,0,0]=3 218 B8R0.23 C[C@H](O)[C@@H](N)CC(=O)O MCULE-8673070329 [1,0,0,0,0,0|2,0,1]=4 219 B8R0.23 C[S@](=O)C[C@@H](N)C(=O)O MCULE-4004385080 [1,0,0,0,0,0|2,0,0]=3 220 B8R0.23 NC(=O)C(N)CC(=O)O MCULE-2277575843 [1,0,0,0,0,0|1,0,0]=2 221 B8R0.23 NC(=O)C=C(N)C(=O)N MCULE-1435081726 [1,0,0,0,0,0|1,0,2]=4 222 B8R0.23 NC(=O)CC(Br)C(=O)O MCULE-2823539046 [1,0,0,0,0,0|1,0,0]=2 223 B8R0.23 NC(=O)CC(N)C(=O)O MCULE-1395307434 [1,0,0,0,0,0|0,0,0]=1 224 B8R0.23 NC(=O)C[C@@H](N)C(=O)N MCULE-7126009795 [1,0,0,0,0,0|1,0,0]=2 225 B8R0.23 NC(=O)C[C@@H](N)C(=O)O MCULE-5685974579 [1,0,0,0,0,0|0,0,0]=1 226 B8R0.23 NC(=O)C[C@@H](N)C(=O)O MCULE-6923060287 [1,0,0,0,0,0|0,0,0]=1 227 B8R0.23 NC(=O)C[C@H](N)C(=O)N MCULE-3049784970 [1,0,0,0,0,0|1,0,0]=2 228 B8R0.23 NC(=O)C[C@H](N)C(=O)N MCULE-6209092318 [1,0,0,0,0,0|1,0,0]=2 229 B8R0.23 NC(=O)C[C@H](N)C(=O)N MCULE-7482170747 [1,0,0,0,0,0|1,0,0]=2 230 B8R0.23 NC(=O)C[C@H](N)C(=O)N MCULE-8939291995 [1,0,0,0,0,0|1,0,0]=2 231 B8R0.23 NC(=O)C[C@H](N)C(=O)O MCULE-1868046141 [1,0,0,0,0,0|0,0,0]=1 232 B8R0.23 NC(=O)C[C@H](N)C(=O)O MCULE-8248953574 [1,0,0,0,0,0|0,0,0]=1 233 B8R0.23 NC(=O)N(N)CC(=O)O MCULE-2553509411 [1,0,0,0,0,0|2,0,0]=3 234 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-1924512659 [1,0,0,0,0,0|1,0,0]=2 235 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-5836180326 [1,0,0,0,0,0|1,0,0]=2 236 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-8799617587 [1,0,0,0,0,0|1,0,0]=2 237 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-9477928215 [1,0,0,0,0,0|1,0,0]=2 238 B8R0.23 NC(=O)[C@H](N)CC(=O)O MCULE-5316198498 [1,0,0,0,0,0|1,0,0]=2 239 B8R0.23 NC(=O)[C@H](N)CC(=O)O MCULE-9833023193 [1,0,0,0,0,0|1,0,0]=2 240 B8R0.23 NC(CC(=O)O)C(=O)O MCULE-1247865301 [1,0,0,0,0,0|1,0,0]=2 241 B8R0.23 NC(CC(=O)O)C(=O)O MCULE-9328817309 [1,0,0,0,0,0|1,0,0]=2 242 B8R0.23 NC(CC(=O)O)C(=O)[O-] MCULE-5149469296 [1,0,0,0,0,0|1,0,1]=3 243 B8R0.23 NC(CC(=O)O)C(=O)[O-] MCULE-6655576025 [1,0,0,0,0,0|1,0,1]=3 244 B8R0.23 NC(CC(=O)[O-])C(=O)O MCULE-9221777365 [1,0,0,0,0,0|1,0,0]=2 245 B8R0.23 NC(CC(=O)[O-])C(=O)[O-] MCULE-5331717218 [1,0,0,0,0,0|1,0,1]=3 246 B8R0.23 NC(CC(=O)[O-])C(=O)[O-] MCULE-5921707862 [1,0,0,0,0,0|1,0,1]=3 247 B8R0.23 NC(CC(F)F)C(=O)O MCULE-1880803967 [1,0,0,0,0,0|2,0,1]=4 248 B8R0.23 NC(CC(F)F)C(=O)O MCULE-7276277891 [1,0,0,0,0,0|2,0,1]=4 249 B8R0.23 N[C@@H](CC(=O)O)C(=O)O MCULE-3710241722 [1,0,0,0,0,0|1,0,0]=2 250 B8R0.23 N[C@@H](CC(=O)O)C(=O)O MCULE-6700641640 [1,0,0,0,0,0|1,0,0]=2 251 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] MCULE-6196524297 [1,0,0,0,0,0|1,0,1]=3 252 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)O MCULE-5793000569 [1,0,0,0,0,0|1,0,0]=2 253 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] MCULE-4019077430 [1,0,0,0,0,0|1,0,1]=3 254 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] MCULE-5586538224 [1,0,0,0,0,0|1,0,1]=3 255 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] MCULE-7845714288 [1,0,0,0,0,0|1,0,1]=3 256 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] MCULE-8320700728 [1,0,0,0,0,0|1,0,1]=3 257 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] MCULE-8905060145 [1,0,0,0,0,0|1,0,1]=3 258 B8R0.23 N[C@@H](CC(Cl)Cl)C(=O)O MCULE-9426370618 [1,0,0,0,0,0|2,0,1]=4 259 B8R0.23 N[C@@H](CC(F)F)C(=O)O MCULE-3232895455 [1,0,0,0,0,0|2,0,1]=4 260 B8R0.23 N[C@@H](CC(F)F)C(=O)O MCULE-3771092799 [1,0,0,0,0,0|2,0,1]=4 261 B8R0.23 N[C@@H](CC(F)F)C(=O)O MCULE-5990452255 [1,0,0,0,0,0|2,0,1]=4 262 B8R0.23 N[C@@H](CS(=O)O)C(=O)O MCULE-6647925908 [1,0,0,0,0,0|2,0,0]=3 263 B8R0.23 N[C@@H](CS(=O)O)C(=O)O MCULE-7596867929 [1,0,0,0,0,0|2,0,0]=3 264 B8R0.23 N[C@H](CC(=O)O)C(=O)O MCULE-8102700760 [1,0,0,0,0,0|1,0,0]=2 265 B8R0.23 N[C@H](CC(F)F)C(=O)O MCULE-2615133633 [1,0,0,0,0,0|2,0,1]=4 266 B8R0.23 N[C@H](CC(F)F)C(=O)O MCULE-4923641891 [1,0,0,0,0,0|2,0,1]=4 267 B8R0.23 O=C(O)CC(=O)C(=O)O MCULE-6059222019 [1,0,0,0,0,0|1,0,2]=4 268 B8R0.23 O=C(O)CC(Br)C(=O)O MCULE-8178780603 [1,0,0,0,0,0|2,0,0]=3 269 B8R0.23 O=C(O)CC(Cl)C(=O)O MCULE-6357456691 [1,0,0,0,0,0|2,0,0]=3 270 B8R0.23 O=C(O)CC(F)C(=O)O MCULE-8433198001 [1,0,0,0,0,0|2,0,0]=3 271 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-5852208511 [1,0,0,0,0,0|1,0,0]=2 272 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-9713558868 [1,0,0,0,0,0|1,0,0]=2 273 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-9924961830 [1,0,0,0,0,0|1,0,0]=2 274 B8R0.23 O=C(O)CC(S)C(=O)O MCULE-7005300961 [1,0,0,0,0,0|1,1,0]=3 275 B8R0.23 O=C(O)C[C@@H](Br)C(=O)O MCULE-4598056907 [1,0,0,0,0,0|2,0,0]=3 276 B8R0.23 O=C(O)C[C@@H](Br)C(=O)O MCULE-7861798045 [1,0,0,0,0,0|2,0,0]=3 277 B8R0.23 O=C(O)C[C@@H](O)C(=O)O MCULE-2239273084 [1,0,0,0,0,0|1,0,0]=2 278 B8R0.23 O=C(O)C[C@@H](O)C(=O)O MCULE-4984266891 [1,0,0,0,0,0|1,0,0]=2 279 B8R0.23 O=C(O)C[C@H](Br)C(=O)O MCULE-6763472515 [1,0,0,0,0,0|2,0,0]=3 280 B8R0.23 O=C(O)C[C@H](Br)C(=O)O MCULE-7524683930 [1,0,0,0,0,0|2,0,0]=3 281 B8R0.23 O=C(O)C[C@H](F)C(=O)O MCULE-9607625100 [1,0,0,0,0,0|2,0,0]=3 282 B8R0.23 O=C(O)C[C@H](O)C(=O)O MCULE-8339271078 [1,0,0,0,0,0|1,0,0]=2 283 B8R0.23 O=C(O)C[C@H](O)C(=O)O MCULE-8865188741 [1,0,0,0,0,0|1,0,0]=2 284 B8R0.23 O=C(O)C[C@H](O)C(=O)[O-] MCULE-1033530810 [1,0,0,0,0,0|1,0,0]=2 285 B8R0.23 O=C(O)C[C@H](S)C(=O)O MCULE-6393371024 [1,0,0,0,0,0|1,1,0]=3 286 B8R0.23 OC(=O)CN(C(=O)N)N MCULE-5081763144 [1,0,0,0,0,0|2,0,0]=3 287 B8R0.23 [C@@H](N)(CC(=O)O)C(=O)O MCULE-7899824165 [1,0,0,0,0,0|1,0,0]=2 288 B8R0.23 [C@H](N)(CS(=O)C)C(=O)O MCULE-5084638505 [1,0,0,0,0,0|2,0,0]=3 289 B8R0.23 [NH3+]C(CS(=O)[O-])C(=O)O MCULE-5293441756 [1,0,0,0,0,0|2,0,1]=4 290 B8R0.23 [NH3+][C@@H](CC(=O)[O-])C(=O)[O-] MCULE-1215535631 [1,0,0,0,0,0|1,0,2]=4 291 B10R0.56 COC(=O)C(O)C(O)C(=O)O MCULE-5767592339 [0,1,0,0,0,0|2,0,0]=3 292 B10R0.117 CC(C)(C(N)C(=O)O)N(=O)=O MCULE-9002564501 [0,1,0,0,0,0|3,0,0]=4 293 B10R0.117 CC(C)([C@H](N)C(=O)O)[N+](=O)[O-] MCULE-3869741264 [0,1,0,0,0,0|3,0,0]=4 294 B10R0.117 O=C(O)C(F)C(F)(F)C(=O)O MCULE-7067726417 [0,1,0,0,0,0|3,0,0]=4 295 B10R0.154 CC(C)(C)C(O)C(N)C(=O)O MCULE-9655540951 [0,1,0,0,0,0|2,0,1]=4 296 B10R0.154 CC(C)(C)[C@@H](O)[C@H](N)C(=O)O MCULE-3285070258 [0,1,0,0,0,0|2,0,1]=4 297 B10R0.154 CC(C)(C)[C@H](O)[C@@H](N)C(=O)O MCULE-1720433604 [0,1,0,0,0,0|2,0,1]=4 298 B10R0.154 CC(C)(C)[C@H](O)[C@@H](N)C(=O)O MCULE-5518166439 [0,1,0,0,0,0|2,0,1]=4 299 B10R1.194 CC1=C(NNC1=O)C(=O)O MCULE-2982850514 [0,0,0,1,0,0|1,0,2]=4 300 B10R1.194 CC1C(=O)OCC1C(=O)O MCULE-8491867617 [0,0,0,1,0,0|3,0,0]=4 301 B10R1.194 CN1C(=O)NCC1C(=O)O MCULE-2621049135 [0,0,0,1,0,0|3,0,0]=4 302 B10R1.360 CC1(CC1C(=O)O)C(=O)O MCULE-1315514899 [0,0,0,1,0,0|3,0,0]=4 303 B10R1.361 NC(=O)C1CCC1C(=O)O MCULE-3903818494 [0,0,0,1,0,0|2,0,0]=3 304 B10R1.361 NC(=O)[C@H]1CC[C@H]1C(=O)N MCULE-7732298882 [0,0,0,1,0,0|3,0,0]=4 305 B10R1.361 O=C(O)C1CCC1C(=O)O MCULE-6136792366 [0,0,0,1,0,0|3,0,0]=4 306 B10R1.361 O=C(O)[C@@H]1CC[C@H]1C(=O)O MCULE-2743190923 [0,0,0,1,0,0|3,0,0]=4 307 B10R1.361 O=C(O)[C@@H]1CC[C@H]1C(=O)O MCULE-6841335407 [0,0,0,1,0,0|3,0,0]=4 308 B10R1.361 O=C(O)[C@H]1CC[C@@H]1C(=O)O MCULE-3432000151 [0,0,0,1,0,0|3,0,0]=4 309 B10R1.361 O=C(O)[C@H]1CC[C@@H]1C(=O)O MCULE-6937334278 [0,0,0,1,0,0|3,0,0]=4 310 B10R1.361 O=C(O)[C@H]1CC[C@H]1C(=O)O MCULE-8609403409 [0,0,0,1,0,0|3,0,0]=4 311 B10R1.361 [C@@H]1(CC[C@@H]1C(=O)O)C(=O)O MCULE-4637916300 [0,0,0,1,0,0|3,0,0]=4 312 B10R0.13 CC(=O)C(C)C(C)CC(=O)O MCULE-2467523561 [0,0,0,0,0,1|3,0,0]=4 313 B10R0.13 CC(=O)OC(C)C(N)C(=O)O MCULE-2960070749 [0,0,0,0,0,1|2,0,0]=3 314 B10R0.13 CC(=O)OC(C)C(N)C(=O)O MCULE-7223559986 [0,0,0,0,0,1|2,0,0]=3 315 B10R0.13 CC(=O)O[C@H](C)[C@H](N)C(=O)O MCULE-3196057448 [0,0,0,0,0,1|2,0,0]=3 316 B10R0.13 CC(=O)O[C@H](C)[C@H](N)C(=O)O MCULE-4987228190 [0,0,0,0,0,1|2,0,0]=3 317 B10R0.13 CC(=O)O[C@H](C)[C@H](N)C(=O)O MCULE-8785750681 [0,0,0,0,0,1|2,0,0]=3 318 B10R0.13 CC(=O)O[C@H](C)[C@H](N)C(=O)O MCULE-9094583167 [0,0,0,0,0,1|2,0,0]=3 319 B10R0.13 C[C@@H](CC(=O)O)[C@@H](N)C(=O)O MCULE-3332620674 [0,0,0,0,0,1|2,0,0]=3 320 B10R0.13 C[C@@H](CC(=O)O)[C@H](N)C(=O)O MCULE-1191810017 [0,0,0,0,0,1|2,0,0]=3 321 B10R0.13 C[C@H](CC(=O)O)[C@@H](N)C(=O)O MCULE-6898866017 [0,0,0,0,0,1|2,0,0]=3 322 B10R0.13 C[C@H](CC(=O)O)[C@H](N)C(=O)O MCULE-5584040869 [0,0,0,0,0,1|2,0,0]=3 323 B10R0.13 N[C@@H](C(=O)O)[C@H](O)CC(=O)O MCULE-6540374220 [0,0,0,0,0,1|1,0,0]=2 324 B10R0.13 N[C@H](C(=O)O)[C@@H](F)CC(=O)O MCULE-4546449636 [0,0,0,0,0,1|2,0,0]=3 325 B10R0.13 O=C(O)CC(O)C(O)C(=O)[O-] MCULE-4149978058 [0,0,0,0,0,1|2,0,0]=3 326 B10R0.13 O=C(O)CC(O)C(O)C(=O)[O-] MCULE-8718049660 [0,0,0,0,0,1|2,0,0]=3 327 B10R0.93 CC(CC(C)C(=O)O)C(=O)O MCULE-1153209267 [0,0,0,0,0,1|3,0,0]=4 328 B10R0.93 CC(CC(N)C(=O)O)C(=O)O MCULE-4117547649 [0,0,0,0,0,1|2,0,0]=3 329 B10R0.93 CC(N[C@@H](C)C(=O)O)C(=O)O MCULE-6318508526 [0,0,0,0,0,1|3,0,0]=4 330 B10R0.93 C[C@H](C[C@H](N)C(=O)O)C(=O)O MCULE-2754578678 [0,0,0,0,0,1|2,0,0]=3 331 B10R0.93 C[C@H](C[C@H](N)C(=O)O)C(=O)O MCULE-7169309772 [0,0,0,0,0,1|2,0,0]=3 332 B10R0.93 NC(=O)[C@H](F)C[C@H](N)C(=O)O MCULE-6469307664 [0,0,0,0,0,1|1,0,0]=2 333 B10R0.93 NC(=O)[C@H](F)C[C@H](N)C(=O)O MCULE-6602424535 [0,0,0,0,0,1|1,0,0]=2 334 B10R0.93 NC(CC(F)C(=O)O)C(=O)O MCULE-9589470454 [0,0,0,0,0,1|2,0,0]=3 335 B10R0.93 NC(CC(N)C(=O)O)C(=O)O MCULE-1335465688 [0,0,0,0,0,1|2,0,0]=3 336 B10R0.93 NC(CC(N)C(=O)O)C(=O)O MCULE-4470732128 [0,0,0,0,0,1|2,0,0]=3 337 B10R0.93 NC(CC(O)C(=O)O)C(=O)O MCULE-2122152001 [0,0,0,0,0,1|1,0,0]=2 338 B10R0.93 N[C@@H](CC(F)C(=O)O)C(=O)O MCULE-2625841366 [0,0,0,0,0,1|2,0,0]=3 339 B10R0.93 N[C@@H](C[C@@H](N)C(=O)O)C(=O)O MCULE-5445779612 [0,0,0,0,0,1|2,0,0]=3 340 B10R0.93 N[C@@H](C[C@@H](N)C(=O)O)C(=O)O MCULE-9351036941 [0,0,0,0,0,1|2,0,0]=3 341 B10R0.93 N[C@@H](C[C@@H](O)C(=O)O)C(=O)O MCULE-2660596864 [0,0,0,0,0,1|1,0,0]=2 342 B10R0.93 N[C@@H](C[C@@H](O)C(=O)O)C(=O)O MCULE-6180379673 [0,0,0,0,0,1|1,0,0]=2 343 B10R0.93 N[C@@H](C[C@H](F)C(=O)O)C(=O)O MCULE-5145554613 [0,0,0,0,0,1|2,0,0]=3 344 B10R0.93 N[C@@H](C[C@H](F)C(=O)O)C(=O)O MCULE-9443069690 [0,0,0,0,0,1|2,0,0]=3 345 B10R0.93 N[C@@H](C[C@H](N)C(=O)O)C(=O)O MCULE-2341577942 [0,0,0,0,0,1|2,0,0]=3 346 B10R0.93 N[C@@H](C[C@H](N)C(=O)O)C(=O)O MCULE-4495746010 [0,0,0,0,0,1|2,0,0]=3 347 B10R0.93 N[C@@H](C[C@H](N)C(=O)O)C(=O)O MCULE-6284302068 [0,0,0,0,0,1|2,0,0]=3 348 B10R0.93 N[C@@H](C[C@H](N)C(=O)O)C(=O)O MCULE-6384488635 [0,0,0,0,0,1|2,0,0]=3 349 B10R0.93 N[C@@H](C[C@H](N)C(=O)O)C(=O)O MCULE-6724681365 [0,0,0,0,0,1|2,0,0]=3 350 B10R0.93 N[C@@H](C[C@H](N)C(=O)O)C(=O)O MCULE-8957870380 [0,0,0,0,0,1|2,0,0]=3 351 B10R0.93 N[C@@H](C[C@H](O)C(=O)O)C(=O)O MCULE-2217204949 [0,0,0,0,0,1|1,0,0]=2 352 B10R0.93 N[C@@H](C[C@H](O)C(=O)O)C(=O)O MCULE-8271752005 [0,0,0,0,0,1|1,0,0]=2 353 B10R0.93 N[C@H](C[C@@H](N)C(=O)O)C(=O)O MCULE-3848928339 [0,0,0,0,0,1|2,0,0]=3 354 B10R0.93 N[C@H](C[C@@H](N)C(=O)O)C(=O)O MCULE-4424451348 [0,0,0,0,0,1|2,0,0]=3 355 B10R0.93 N[C@H](C[C@@H](N)C(=O)O)C(=O)O MCULE-5729704628 [0,0,0,0,0,1|2,0,0]=3 356 B10R0.93 N[C@H](C[C@@H](N)C(=O)O)C(=O)O MCULE-8441844155 [0,0,0,0,0,1|2,0,0]=3 357 B10R0.93 N[C@H](C[C@H](O)C(=O)O)C(=O)O MCULE-8040485498 [0,0,0,0,0,1|1,0,0]=2 358 B10R0.93 O=C(O)C(Br)CC(Br)C(=O)O MCULE-2429859248 [0,0,0,0,0,1|3,0,0]=4 359 B10R0.93 O=C(O)C(O)SC(O)C(=O)O MCULE-2925160633 [0,0,0,0,0,1|2,0,0]=3 360 B7R0.2 C(O)(CN)CC(=O)O MCULE-8378388788 [2,0,0,0,0,0|0,0,1]=3 361 B7R0.2 C=CC(C)CC(=O)O MCULE-4817084034 [2,0,0,0,0,0|2,0,0]=4 362 B7R0.2 C=CC(N)CC(=O)O MCULE-1733618438 [2,0,0,0,0,0|2,0,0]=4 363 B7R0.2 C=CC(N)CC(=O)O MCULE-9636299966 [2,0,0,0,0,0|2,0,0]=4 364 B7R0.2 C=CC(O)CC(=O)O MCULE-2383393271 [2,0,0,0,0,0|1,0,0]=3 365 B7R0.2 CC(CC(=O)O)NN MCULE-2614719429 [2,0,0,0,0,0|2,0,0]=4 366 B7R0.2 CC(CC(=O)O)NN MCULE-2739806820 [2,0,0,0,0,0|2,0,0]=4 367 B7R0.2 CC(CN)CC(=O)O MCULE-1594242184 [2,0,0,0,0,0|1,0,1]=4 368 B7R0.2 CC(CN)CC(=O)O MCULE-8074816359 [2,0,0,0,0,0|1,0,1]=4 369 B7R0.2 CCC(O)CC(=O)O MCULE-4663578527 [2,0,0,0,0,0|1,0,1]=4 370 B7R0.2 CN(C=O)CC(=O)O MCULE-2679649056 [2,0,0,0,0,0|2,0,0]=4 371 B7R0.2 C[C@H](CN)CC(=O)O MCULE-4808630217 [2,0,0,0,0,0|1,0,1]=4 372 B7R0.2 C[C@H](CN)CC(=O)O MCULE-5474405940 [2,0,0,0,0,0|1,0,1]=4 373 B7R0.2 N#CC(N)CC(=O)N MCULE-6918234601 [2,0,0,0,0,0|1,0,1]=4 374 B7R0.2 NC(=O)C/C(=N\O)/N MCULE-7090967368 [2,0,0,0,0,0|1,0,1]=4 375 B7R0.2 NC(CO)CC(=O)O MCULE-4749383822 [2,0,0,0,0,0|1,0,1]=4 376 B7R0.2 NC(CO)CC(=O)O MCULE-7973334774 [2,0,0,0,0,0|1,0,1]=4 377 B7R0.2 NC(CO)CC(=O)O MCULE-8406665261 [2,0,0,0,0,0|1,0,1]=4 378 B7R0.2 NCC(N)CC(=O)O MCULE-5523883615 [2,0,0,0,0,0|1,0,1]=4 379 B7R0.2 NCC(N)CC(=O)O MCULE-7594259237 [2,0,0,0,0,0|1,0,1]=4 380 B7R0.2 NCC(O)CC(=O)O MCULE-9221352157 [2,0,0,0,0,0|0,0,1]=3 381 B7R0.2 NC[C@@H](N)CC(=O)O MCULE-6348974465 [2,0,0,0,0,0|1,0,1]=4 382 B7R0.2 NC[C@@H](N)CC(=O)O MCULE-9397628218 [2,0,0,0,0,0|1,0,1]=4 383 B7R0.2 NC[C@@H](O)CC(=O)O MCULE-2174350055 [2,0,0,0,0,0|0,0,1]=3 384 B7R0.2 NC[C@@H](O)CC(=O)O MCULE-8177708130 [2,0,0,0,0,0|0,0,1]=3 385 B7R0.2 NC[C@H](N)CC(=O)O MCULE-6133569516 [2,0,0,0,0,0|1,0,1]=4 386 B7R0.2 NC[C@H](N)CC(=O)O MCULE-7098533469 [2,0,0,0,0,0|1,0,1]=4 387 B7R0.2 NC[C@H](O)CC(=O)O MCULE-6634973995 [2,0,0,0,0,0|0,0,1]=3 388 B7R0.2 NC[C@H](O)CC(=O)O MCULE-8055679819 [2,0,0,0,0,0|0,0,1]=3 389 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-1773927420 [2,0,0,0,0,0|1,0,1]=4 390 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-2797951743 [2,0,0,0,0,0|1,0,1]=4 391 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-3839766977 [2,0,0,0,0,0|1,0,1]=4 392 B7R0.2 N[C@H](CO)CC(=O)O MCULE-4130106630 [2,0,0,0,0,0|1,0,1]=4 393 B7R0.2 O=C(O)CC(O)CO MCULE-2851149196 [2,0,0,0,0,0|0,0,2]=4 394 B7R0.2 O=C(O)C[C@H](O)CO MCULE-5671818548 [2,0,0,0,0,0|0,0,2]=4 395 B7R0.2 O=CN(O)CC(=O)O MCULE-7408790227 [2,0,0,0,0,0|1,0,0]=3 396 B7R0.5 C#CCC(N)C(=O)O MCULE-2022398365 [2,0,0,0,0,0|1,0,1]=4 397 B7R0.5 C#CCC(N)C(=O)O MCULE-2451098139 [2,0,0,0,0,0|1,0,1]=4 398 B7R0.5 C#CCC(N)C(=O)O MCULE-4330300997 [2,0,0,0,0,0|1,0,1]=4 399 B7R0.5 C#CCC(N)C(=O)O MCULE-5100293043 [2,0,0,0,0,0|1,0,1]=4 400 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-1266511504 [2,0,0,0,0,0|1,0,1]=4 401 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-2589808316 [2,0,0,0,0,0|1,0,1]=4 402 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-4703021434 [2,0,0,0,0,0|1,0,1]=4 403 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-5616417783 [2,0,0,0,0,0|1,0,1]=4 404 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-1593368546 [2,0,0,0,0,0|1,0,1]=4 405 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-5683421535 [2,0,0,0,0,0|1,0,1]=4 406 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-7302855511 [2,0,0,0,0,0|1,0,1]=4 407 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-9256626051 [2,0,0,0,0,0|1,0,1]=4 408 B7R0.5 C=CCC(C)C(=O)O MCULE-2912410432 [2,0,0,0,0,0|2,0,0]=4 409 B7R0.5 C=CCC(N)C(=O)O MCULE-1550468430 [2,0,0,0,0,0|1,0,0]=3 410 B7R0.5 C=CCC(N)C(=O)O MCULE-1783682768 [2,0,0,0,0,0|1,0,0]=3 411 B7R0.5 C=CCC(N)C(=O)O MCULE-8721864064 [2,0,0,0,0,0|1,0,0]=3 412 B7R0.5 C=CCC(N)C(=O)O MCULE-9091562338 [2,0,0,0,0,0|1,0,0]=3 413 B7R0.5 C=CCC(O)C(=O)O MCULE-6418899544 [2,0,0,0,0,0|2,0,0]=4 414 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-3817126030 [2,0,0,0,0,0|1,0,0]=3 415 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-5479618260 [2,0,0,0,0,0|1,0,0]=3 416 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-6719393730 [2,0,0,0,0,0|1,0,0]=3 417 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-7577627870 [2,0,0,0,0,0|1,0,0]=3 418 B7R0.5 C=CC[C@@H](O)C(=O)O MCULE-4103471826 [2,0,0,0,0,0|2,0,0]=4 419 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-2073484196 [2,0,0,0,0,0|1,0,0]=3 420 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-3267648941 [2,0,0,0,0,0|1,0,0]=3 421 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-4183531139 [2,0,0,0,0,0|1,0,0]=3 422 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-8225762047 [2,0,0,0,0,0|1,0,0]=3 423 B7R0.5 C=CC[C@H](O)C(=O)O MCULE-8230827617 [2,0,0,0,0,0|2,0,0]=4 424 B7R0.5 CC(CCN)C(=O)O MCULE-8098419324 [2,0,0,0,0,0|1,0,1]=4 425 B7R0.5 CC(CCN)C(=O)O MCULE-8509861009 [2,0,0,0,0,0|1,0,1]=4 426 B7R0.5 CC(CCO)C(=O)N MCULE-3037868887 [2,0,0,0,0,0|1,0,1]=4 427 B7R0.5 CC(NC=O)C(=O)O MCULE-7277951464 [2,0,0,0,0,0|2,0,0]=4 428 B7R0.5 CCCC(N)C(=O)O MCULE-1684743992 [2,0,0,0,0,0|1,0,1]=4 429 B7R0.5 CCCC(N)C(=O)O MCULE-5263067403 [2,0,0,0,0,0|1,0,1]=4 430 B7R0.5 CCCC(N)C(=O)O MCULE-7151907627 [2,0,0,0,0,0|1,0,1]=4 431 B7R0.5 CCCC(O)C(=O)N MCULE-3143432132 [2,0,0,0,0,0|1,0,1]=4 432 B7R0.5 CCC[C@@H](N)C(=O)O MCULE-1302378905 [2,0,0,0,0,0|1,0,1]=4 433 B7R0.5 CCC[C@@H](N)C(=O)O MCULE-5246507817 [2,0,0,0,0,0|1,0,1]=4 434 B7R0.5 CCC[C@H](N)C(=O)O MCULE-2890516597 [2,0,0,0,0,0|1,0,1]=4 435 B7R0.5 CCC[C@H](N)C(=O)O MCULE-4690406880 [2,0,0,0,0,0|1,0,1]=4 436 B7R0.5 CCC[C@H](N)C(=O)O MCULE-9323049450 [2,0,0,0,0,0|1,0,1]=4 437 B7R0.5 CNCC(N)C(=O)O MCULE-4360775406 [2,0,0,0,0,0|2,0,0]=4 438 B7R0.5 CNCC(N)C(=O)O MCULE-4913403405 [2,0,0,0,0,0|2,0,0]=4 439 B7R0.5 CNC[C@H](N)C(=O)O MCULE-3465445123 [2,0,0,0,0,0|2,0,0]=4 440 B7R0.5 CNC[C@H](N)C(=O)O MCULE-7309489523 [2,0,0,0,0,0|2,0,0]=4 441 B7R0.5 CNC[C@H](N)C(=O)O MCULE-8418254346 [2,0,0,0,0,0|2,0,0]=4 442 B7R0.5 CNC[C@H](N)C(=O)O MCULE-8752314299 [2,0,0,0,0,0|2,0,0]=4 443 B7R0.5 COCC(N)C(=O)O MCULE-4336440568 [2,0,0,0,0,0|2,0,0]=4 444 B7R0.5 COCC(N)C(=O)O MCULE-4899043582 [2,0,0,0,0,0|2,0,0]=4 445 B7R0.5 COCC(N)C(=O)O MCULE-6964823693 [2,0,0,0,0,0|2,0,0]=4 446 B7R0.5 COCC(N)C(=O)O MCULE-7037870255 [2,0,0,0,0,0|2,0,0]=4 447 B7R0.5 COC[C@@H](N)C(=O)O MCULE-1827086666 [2,0,0,0,0,0|2,0,0]=4 448 B7R0.5 COC[C@@H](N)C(=O)O MCULE-4868456769 [2,0,0,0,0,0|2,0,0]=4 449 B7R0.5 COC[C@@H](N)C(=O)O MCULE-5275247485 [2,0,0,0,0,0|2,0,0]=4 450 B7R0.5 COC[C@@H](N)C(=O)O MCULE-7339751251 [2,0,0,0,0,0|2,0,0]=4 451 B7R0.5 COC[C@H](N)C(=O)O MCULE-3719679803 [2,0,0,0,0,0|2,0,0]=4 452 B7R0.5 COC[C@H](N)C(=O)O MCULE-4874807874 [2,0,0,0,0,0|2,0,0]=4 453 B7R0.5 COC[C@H](N)C(=O)O MCULE-5303156917 [2,0,0,0,0,0|2,0,0]=4 454 B7R0.5 COC[C@H](N)C(=O)O MCULE-8138564560 [2,0,0,0,0,0|2,0,0]=4 455 B7R0.5 CSCC(N)C(=O)O MCULE-7668628251 [2,0,0,0,0,0|2,0,0]=4 456 B7R0.5 CSC[C@H](N)C(=O)O MCULE-1178337776 [2,0,0,0,0,0|2,0,0]=4 457 B7R0.5 CSC[C@H](N)C(=O)O MCULE-2769761337 [2,0,0,0,0,0|2,0,0]=4 458 B7R0.5 C[C@H](NC=O)C(=O)O MCULE-3824082361 [2,0,0,0,0,0|2,0,0]=4 459 B7R0.5 C[C@H](NC=O)C(=O)O MCULE-5248110352 [2,0,0,0,0,0|2,0,0]=4 460 B7R0.5 C[Se]CC(N)C(=O)O MCULE-3357465269 [2,0,0,0,0,0|2,0,0]=4 461 B7R0.5 C[Se]CC(N)C(=O)O MCULE-7671606756 [2,0,0,0,0,0|2,0,0]=4 462 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-5208306365 [2,0,0,0,0,0|2,0,0]=4 463 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-6734478742 [2,0,0,0,0,0|2,0,0]=4 464 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-6760615750 [2,0,0,0,0,0|2,0,0]=4 465 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-7512025617 [2,0,0,0,0,0|2,0,0]=4 466 B7R0.5 N#CCC(N)C(=O)O MCULE-4929926467 [2,0,0,0,0,0|0,0,2]=4 467 B7R0.5 N#CC[C@H](N)C(=O)O MCULE-6294926701 [2,0,0,0,0,0|0,0,2]=4 468 B7R0.5 N#CC[C@H](N)C(=O)O MCULE-6432920316 [2,0,0,0,0,0|0,0,2]=4 469 B7R0.5 NC(CCBr)C(=O)O MCULE-1900559475 [2,0,0,0,0,0|1,0,1]=4 470 B7R0.5 NC(CCBr)C(=O)O MCULE-7293320576 [2,0,0,0,0,0|1,0,1]=4 471 B7R0.5 NC(CCF)C(=O)O MCULE-5519595590 [2,0,0,0,0,0|1,0,1]=4 472 B7R0.5 NC(CCF)C(=O)O MCULE-7293194855 [2,0,0,0,0,0|1,0,1]=4 473 B7R0.5 NC(CCO)C(=O)O MCULE-1744838687 [2,0,0,0,0,0|0,0,2]=4 474 B7R0.5 NC(CCO)C(=O)O MCULE-9642233758 [2,0,0,0,0,0|0,0,2]=4 475 B7R0.5 NC(CCS)C(=O)O MCULE-8057550187 [2,0,0,0,0,0|0,1,1]=4 476 B7R0.5 NC(CCS)C(=O)O MCULE-8117596001 [2,0,0,0,0,0|0,1,1]=4 477 B7R0.5 NC(CNO)C(=O)O MCULE-2332662988 [2,0,0,0,0,0|1,0,1]=4 478 B7R0.5 NCCC(F)C(=O)O MCULE-5068755002 [2,0,0,0,0,0|1,0,1]=4 479 B7R0.5 NCCC(F)C(=O)O MCULE-9196695600 [2,0,0,0,0,0|1,0,1]=4 480 B7R0.5 NCCC(N)C(=O)O MCULE-1239764966 [2,0,0,0,0,0|0,0,1]=3 481 B7R0.5 NCCC(N)C(=O)O MCULE-2441123923 [2,0,0,0,0,0|0,0,1]=3 482 B7R0.5 NCCC(N)C(=O)O MCULE-3966593369 [2,0,0,0,0,0|0,0,1]=3 483 B7R0.5 NCCC(N)C(=O)O MCULE-4212078130 [2,0,0,0,0,0|0,0,1]=3 484 B7R0.5 NCCC(N)C(=O)O MCULE-7713366571 [2,0,0,0,0,0|0,0,1]=3 485 B7R0.5 NCCC(N)C(=O)O MCULE-8402131049 [2,0,0,0,0,0|0,0,1]=3 486 B7R0.5 NCCC(N)C(=O)O MCULE-9198187552 [2,0,0,0,0,0|0,0,1]=3 487 B7R0.5 NCCC(O)C(=O)O MCULE-3670080484 [2,0,0,0,0,0|1,0,1]=4 488 B7R0.5 NCCC(O)C(=O)O MCULE-6540935279 [2,0,0,0,0,0|1,0,1]=4 489 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-4000770618 [2,0,0,0,0,0|0,0,1]=3 490 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-5775312784 [2,0,0,0,0,0|0,0,1]=3 491 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-6259961704 [2,0,0,0,0,0|0,0,1]=3 492 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-9871958374 [2,0,0,0,0,0|0,0,1]=3 493 B7R0.5 NCC[C@@H](O)C(=O)O MCULE-9726912888 [2,0,0,0,0,0|1,0,1]=4 494 B7R0.5 NCC[C@H](N)C(=O)O MCULE-1745978456 [2,0,0,0,0,0|0,0,1]=3 495 B7R0.5 NCC[C@H](N)C(=O)O MCULE-3856066353 [2,0,0,0,0,0|0,0,1]=3 496 B7R0.5 NCC[C@H](N)C(=O)O MCULE-3919721317 [2,0,0,0,0,0|0,0,1]=3 497 B7R0.5 NCC[C@H](N)C(=O)O MCULE-5434373726 [2,0,0,0,0,0|0,0,1]=3 498 B7R0.5 NCC[C@H](N)C(=O)O MCULE-5992578597 [2,0,0,0,0,0|0,0,1]=3 499 B7R0.5 NCC[C@H](N)C(=O)O MCULE-6536533546 [2,0,0,0,0,0|0,0,1]=3 500 B7R0.5 NCC[C@H](N)C(=O)O MCULE-6978035806 [2,0,0,0,0,0|0,0,1]=3 501 B7R0.5 NCC[C@H](N)C(=O)O MCULE-8762011291 [2,0,0,0,0,0|0,0,1]=3 502 B7R0.5 NCC[C@H](N)C(=O)O MCULE-9645608127 [2,0,0,0,0,0|0,0,1]=3 503 B7R0.5 NCC[C@H](O)C(=O)O MCULE-3296998083 [2,0,0,0,0,0|1,0,1]=4 504 B7R0.5 NCC[C@H](O)C(=O)O MCULE-7901866019 [2,0,0,0,0,0|1,0,1]=4 505 B7R0.5 NOC[C@H](N)C(=O)O MCULE-1050292176 [2,0,0,0,0,0|1,0,0]=3 506 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-2388269464 [2,0,0,0,0,0|1,0,1]=4 507 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-2456796412 [2,0,0,0,0,0|1,0,1]=4 508 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-6229782603 [2,0,0,0,0,0|1,0,1]=4 509 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-8123446168 [2,0,0,0,0,0|1,0,1]=4 510 B7R0.5 N[C@@H](CCO)C(=O)O MCULE-2370353784 [2,0,0,0,0,0|0,0,2]=4 511 B7R0.5 N[C@@H](CCO)C(=O)O MCULE-4861747928 [2,0,0,0,0,0|0,0,2]=4 512 B7R0.5 N[C@@H](CCS)C(=O)O MCULE-4021115723 [2,0,0,0,0,0|0,1,1]=4 513 B7R0.5 N[C@@H](CCS)C(=O)O MCULE-7661321953 [2,0,0,0,0,0|0,1,1]=4 514 B7R0.5 N[C@@H](CSS)C(=O)O MCULE-3029500977 [2,0,0,0,0,0|1,1,0]=4 515 B7R0.5 N[C@H](CCBr)C(=O)O MCULE-1975650690 [2,0,0,0,0,0|1,0,1]=4 516 B7R0.5 N[C@H](CCBr)C(=O)O MCULE-7245104465 [2,0,0,0,0,0|1,0,1]=4 517 B7R0.5 N[C@H](CCO)C(=O)O MCULE-8005652100 [2,0,0,0,0,0|0,0,2]=4 518 B7R0.5 N[C@H](CCO)C(=O)O MCULE-8613625039 [2,0,0,0,0,0|0,0,2]=4 519 B7R0.5 N[C@H](CCS)C(=O)O MCULE-1110046008 [2,0,0,0,0,0|0,1,1]=4 520 B7R0.5 N[C@H](CCS)C(=O)O MCULE-7556963357 [2,0,0,0,0,0|0,1,1]=4 521 B7R0.5 O=C(O)C(O)CCO MCULE-9096271794 [2,0,0,0,0,0|1,0,1]=4 522 B7R0.5 [C@H](N)(CC#C)C(=O)O MCULE-7308061694 [2,0,0,0,0,0|1,0,1]=4 523 B7R0.10 O=CC(O)C(O)C=O MCULE-3439629952 [2,0,0,0,0,0|1,0,0]=3 524 B7R0.10 O=CC(O)C(O)CO MCULE-9564469242 [2,0,0,0,0,0|1,0,1]=4 525 B7R0.10 O=C[C@@H](O)[C@@H](O)CO MCULE-3532911413 [2,0,0,0,0,0|1,0,1]=4 526 B7R0.10 O=C[C@@H](O)[C@@H](O)CO MCULE-5707669784 [2,0,0,0,0,0|1,0,1]=4 527 B7R0.10 O=C[C@@H](O)[C@H](O)CO MCULE-4902023669 [2,0,0,0,0,0|1,0,1]=4 528 B7R0.10 O=C[C@H](O)[C@@H](O)CO MCULE-5975565699 [2,0,0,0,0,0|1,0,1]=4 529 B7R0.10 O=C[C@H](O)[C@H](O)CO MCULE-3036594515 [2,0,0,0,0,0|1,0,1]=4 530 B7R0.10 O=C[C@H](O)[C@H](O)CO MCULE-5412566780 [2,0,0,0,0,0|1,0,1]=4 531 B7R0.16 C=C(C)C(N)C(=O)O MCULE-1815568719 [2,0,0,0,0,0|1,0,1]=4 532 B7R0.16 C=C(C)C(N)C(=O)O MCULE-2839869274 [2,0,0,0,0,0|1,0,1]=4 533 B7R0.16 C=C(C)C(N)C(=O)O MCULE-5015326828 [2,0,0,0,0,0|1,0,1]=4 534 B7R0.16 C=C(C)C(N)C(=O)O MCULE-5043630144 [2,0,0,0,0,0|1,0,1]=4 535 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-2007035571 [2,0,0,0,0,0|1,0,1]=4 536 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-6240689602 [2,0,0,0,0,0|1,0,1]=4 537 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-8025014656 [2,0,0,0,0,0|1,0,1]=4 538 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-9704891439 [2,0,0,0,0,0|1,0,1]=4 539 B7R0.16 CC(C(=O)N)C(=O)N MCULE-4912037399 [2,0,0,0,0,0|1,0,1]=4 540 B7R0.16 CC(C(=O)O)C(=O)O MCULE-7232226851 [2,0,0,0,0,0|1,0,1]=4 541 B7R0.16 CC(C)C(N)C(=O)O MCULE-8140660263 [2,0,0,0,0,0|1,0,1]=4 542 B7R0.16 CC(C)C(N)C(=O)O MCULE-9199801639 [2,0,0,0,0,0|1,0,1]=4 543 B7R0.16 CC(C)[C@@H](N)C(=O)O MCULE-1338052740 [2,0,0,0,0,0|1,0,1]=4 544 B7R0.16 CC(C)[C@@H](N)C(=O)O MCULE-2459930572 [2,0,0,0,0,0|1,0,1]=4 545 B7R0.16 CC(C)[C@H](N)C(=O)O MCULE-2507309072 [2,0,0,0,0,0|1,0,1]=4 546 B7R0.16 CC(C)[C@H](N)C(=O)O MCULE-9143825935 [2,0,0,0,0,0|1,0,1]=4 547 B7R0.16 CC(F)C(N)C(=O)O MCULE-8810968604 [2,0,0,0,0,0|1,0,1]=4 548 B7R0.16 CC(N)C(C)C(=O)O MCULE-2921617741 [2,0,0,0,0,0|2,0,0]=4 549 B7R0.16 CC(N)C(C)C(=O)O MCULE-8511267926 [2,0,0,0,0,0|2,0,0]=4 550 B7R0.16 CC(N)C(O)C(=O)O MCULE-1086139043 [2,0,0,0,0,0|1,0,1]=4 551 B7R0.16 CC(N)C(O)C(=O)O MCULE-6405300346 [2,0,0,0,0,0|1,0,1]=4 552 B7R0.16 CC(O)C(C)C(=O)O MCULE-2499360516 [2,0,0,0,0,0|1,0,1]=4 553 B7R0.16 CC(O)C(N)C(=O)N MCULE-1234785834 [2,0,0,0,0,0|1,0,1]=4 554 B7R0.16 CC(O)C(N)C(=O)N MCULE-5867306342 [2,0,0,0,0,0|1,0,1]=4 555 B7R0.16 CC(O)C(N)C(=O)O MCULE-1563595722 [2,0,0,0,0,0|0,0,1]=3 556 B7R0.16 CC(O)C(N)C(=O)O MCULE-5581920538 [2,0,0,0,0,0|0,0,1]=3 557 B7R0.16 C[C@@H](N)[C@@H](N)C(=O)O MCULE-5302456851 [2,0,0,0,0,0|1,0,0]=3 558 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-1663687439 [2,0,0,0,0,0|0,0,1]=3 559 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-3863591433 [2,0,0,0,0,0|0,0,1]=3 560 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-8080019797 [2,0,0,0,0,0|0,0,1]=3 561 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-9284411012 [2,0,0,0,0,0|0,0,1]=3 562 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-1969228933 [2,0,0,0,0,0|1,0,1]=4 563 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-3285041526 [2,0,0,0,0,0|1,0,1]=4 564 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-5018319528 [2,0,0,0,0,0|1,0,1]=4 565 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-6080625355 [2,0,0,0,0,0|1,0,1]=4 566 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-9393787536 [2,0,0,0,0,0|1,0,1]=4 567 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-9925689829 [2,0,0,0,0,0|1,0,1]=4 568 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-2430667007 [2,0,0,0,0,0|0,0,1]=3 569 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-2676185993 [2,0,0,0,0,0|0,0,1]=3 570 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-5254477364 [2,0,0,0,0,0|0,0,1]=3 571 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-5505393195 [2,0,0,0,0,0|0,0,1]=3 572 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-7379719940 [2,0,0,0,0,0|0,0,1]=3 573 B7R0.16 C[C@@H](O)[C@H](O)C(=O)O MCULE-9383777855 [2,0,0,0,0,0|1,0,1]=4 574 B7R0.16 C[C@H](C(=O)O)[C@@H](C)N MCULE-2245171795 [2,0,0,0,0,0|2,0,0]=4 575 B7R0.16 C[C@H](C(=O)O)[C@@H](C)N MCULE-2727261050 [2,0,0,0,0,0|2,0,0]=4 576 B7R0.16 C[C@H](C(=O)O)[C@@H](C)O MCULE-8875933839 [2,0,0,0,0,0|1,0,1]=4 577 B7R0.16 C[C@H](N)[C@@H](N)C(=O)O MCULE-9507122128 [2,0,0,0,0,0|1,0,0]=3 578 B7R0.16 C[C@H](N)[C@@H](O)C(=O)O MCULE-2574349608 [2,0,0,0,0,0|1,0,1]=4 579 B7R0.16 C[C@H](N)[C@@H](O)C(=O)O MCULE-6297204649 [2,0,0,0,0,0|1,0,1]=4 580 B7R0.16 C[C@H](N)[C@H](N)C(=O)O MCULE-3178389621 [2,0,0,0,0,0|1,0,0]=3 581 B7R0.16 C[C@H](O)C(N)C(=O)O MCULE-6661175670 [2,0,0,0,0,0|0,0,1]=3 582 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O MCULE-6288272506 [2,0,0,0,0,0|0,0,1]=3 583 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O MCULE-7203096302 [2,0,0,0,0,0|0,0,1]=3 584 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O MCULE-9531951265 [2,0,0,0,0,0|0,0,1]=3 585 B7R0.16 C[C@H](O)[C@H](N)C(=O)O MCULE-2246314901 [2,0,0,0,0,0|0,0,1]=3 586 B7R0.16 C[C@H](O)[C@H](N)C(=O)O MCULE-9478987169 [2,0,0,0,0,0|0,0,1]=3 587 B7R0.16 NC(=O)C(Br)C(=O)N MCULE-7519162871 [2,0,0,0,0,0|1,0,1]=4 588 B7R0.16 NC(=O)C(N)C(=O)N MCULE-5338329205 [2,0,0,0,0,0|1,0,1]=4 589 B7R0.16 NC(C(=O)O)C(=O)O MCULE-6118746267 [2,0,0,0,0,0|0,0,1]=3 590 B7R0.16 O=C(O)C(Cl)C(=O)O MCULE-9776364495 [2,0,0,0,0,0|1,0,1]=4 591 B7R0.16 O=C(O)C(F)C(=O)O MCULE-9969055570 [2,0,0,0,0,0|1,0,1]=4 592 B7R0.16 O=C(O)C(O)C(=O)O MCULE-4232935518 [2,0,0,0,0,0|1,0,1]=4 593 B7R0.6 C=C(Br)CCC(=O)O MCULE-5257916083 [2,0,0,0,0,0|2,0,0]=4 594 B7R0.6 C=C(C)CCC(=O)N MCULE-7602727888 [2,0,0,0,0,0|2,0,0]=4 595 B7R0.6 C=C(C)CCC(=O)O MCULE-8738532812 [2,0,0,0,0,0|2,0,0]=4 596 B7R0.6 C=C(Cl)CCC(=O)O MCULE-8617886776 [2,0,0,0,0,0|2,0,0]=4 597 B7R0.6 CC(=O)CCC(=O)C MCULE-3166810473 [2,0,0,0,0,0|2,0,0]=4 598 B7R0.6 CC(=O)CCC(=O)N MCULE-8943258659 [2,0,0,0,0,0|1,0,0]=3 599 B7R0.6 CC(=O)CCC(=O)O MCULE-1392778065 [2,0,0,0,0,0|1,0,0]=3 600 B7R0.6 CC(=O)CCC(=O)[O-] MCULE-4975344808 [2,0,0,0,0,0|1,0,1]=4 601 B7R0.6 CC(=O)NCC(=O)N MCULE-7934502236 [2,0,0,0,0,0|2,0,0]=4 602 B7R0.6 CC(=O)NCC(=O)O MCULE-5811325186 [2,0,0,0,0,0|2,0,0]=4 603 B7R0.6 CC(=O)OCC(=O)O MCULE-6837320824 [2,0,0,0,0,0|2,0,0]=4 604 B7R0.6 CC(=O)SCC(=O)O MCULE-1974657694 [2,0,0,0,0,0|2,0,0]=4 605 B7R0.6 CC(N)CCC(=O)O MCULE-3711689460 [2,0,0,0,0,0|1,0,1]=4 606 B7R0.6 CC(N)CCC(=O)O MCULE-5008572656 [2,0,0,0,0,0|1,0,1]=4 607 B7R0.6 CS(=O)CCC(=O)O MCULE-8243349779 [2,0,0,0,0,0|2,0,0]=4 608 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-3295260637 [2,0,0,0,0,0|1,0,1]=4 609 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-5409083898 [2,0,0,0,0,0|1,0,1]=4 610 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-6530230723 [2,0,0,0,0,0|1,0,1]=4 611 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-7530095699 [2,0,0,0,0,0|1,0,1]=4 612 B7R0.6 C[C@H](N)CCC(=O)O MCULE-3621527632 [2,0,0,0,0,0|1,0,1]=4 613 B7R0.6 C[C@H](N)CCC(=O)O MCULE-7670557122 [2,0,0,0,0,0|1,0,1]=4 614 B7R0.6 N=C(N)NCC(=O)O MCULE-8180759180 [2,0,0,0,0,0|2,0,0]=4 615 B7R0.6 N=C(N)NCC(=O)O MCULE-8327589872 [2,0,0,0,0,0|2,0,0]=4 616 B7R0.6 N=C(N)SCC(=O)O MCULE-2089510220 [2,0,0,0,0,0|2,0,0]=4 617 B7R0.6 N=C(N)SCC(=O)O MCULE-3427937751 [2,0,0,0,0,0|2,0,0]=4 618 B7R0.6 NC(=O)/C=C/C(=O)O MCULE-4042951919 [2,0,0,0,0,0|0,0,2]=4 619 B7R0.6 NC(=O)/C=C\C(=O)O MCULE-9066996879 [2,0,0,0,0,0|0,0,2]=4 620 B7R0.6 NC(=O)C=CC(=O)O MCULE-2401877342 [2,0,0,0,0,0|0,0,2]=4 621 B7R0.6 NC(=O)CCC(=O)N MCULE-2107382817 [2,0,0,0,0,0|1,0,0]=3 622 B7R0.6 NC(=O)CCC(=O)O MCULE-5813999826 [2,0,0,0,0,0|0,0,0]=2 623 B7R0.6 NC(=O)NCC(=O)O MCULE-7640310218 [2,0,0,0,0,0|1,0,0]=3 624 B7R0.6 NC(=O)SCC(=O)O MCULE-2409074226 [2,0,0,0,0,0|1,0,0]=3 625 B7R0.6 NC(=S)NCC(=O)O MCULE-7421473219 [2,0,0,0,0,0|1,1,0]=4 626 B7R0.6 O=C(Cl)CCC(=O)Cl MCULE-6220065982 [2,0,0,0,0,0|2,0,0]=4 627 B7R0.6 O=C(O)CCC(=O)O MCULE-1233211613 [2,0,0,0,0,0|1,0,0]=3 628 B7R0.6 O=C(O)CCC(=O)O MCULE-5889111640 [2,0,0,0,0,0|1,0,0]=3 629 B7R0.6 O=C(O)CCN(=O)=O MCULE-1879231817 [2,0,0,0,0,0|2,0,0]=4 630 B7R0.6 O=C([O-])CCC(=O)O MCULE-9149947862 [2,0,0,0,0,0|1,0,0]=3 631 B7R0.6 O=C([O-])CCC(=O)[O-] MCULE-6304944077 [2,0,0,0,0,0|1,0,1]=4 632 B9R0.6 CCCC(N)C(O)C(=O)N MCULE-3877102152 [1,1,0,0,0,0|1,0,1]=4 633 B9R0.6 CCCC(N)C(O)C(=O)N MCULE-5998533545 [1,1,0,0,0,0|1,0,1]=4 634 B9R0.6 CCCC(O)C(N)C(=O)O MCULE-5391337444 [1,1,0,0,0,0|1,0,1]=4 635 B9R0.6 CCC[C@@H](N)C(O)C(=O)N MCULE-1873801018 [1,1,0,0,0,0|1,0,1]=4 636 B9R0.6 CCC[C@@H](N)C(O)C(=O)N MCULE-5086135715 [1,1,0,0,0,0|1,0,1]=4 637 B9R0.32 C=CC(C)(C)C(N)C(=O)O MCULE-2556027740 [1,1,0,0,0,0|2,0,0]=4 638 B9R0.32 CC(C)(CO)C(O)C(=O)N MCULE-2942836455 [1,1,0,0,0,0|1,0,1]=4 639 B9R0.11 CC(=O)C(C)(C)CC(=O)O MCULE-3797968347 [1,1,0,0,0,0|2,0,0]=4 640 B9R0.11 CC(=O)CC(C)(C)C(=O)O MCULE-3548808704 [1,1,0,0,0,0|2,0,0]=4 641 B9R0.11 CC(C)(CC(=O)O)C(=O)O MCULE-7005043054 [1,1,0,0,0,0|2,0,0]=4 642 B9R0.11 CC(C)(NC(=O)N)C(=O)O MCULE-3780805662 [1,1,0,0,0,0|2,0,0]=4 643 B9R0.11 CC(F)(NC(=O)N)C(=O)O MCULE-5893224532 [1,1,0,0,0,0|2,0,0]=4 644 B9R0.11 CC(N)(CC(=O)O)C(=O)O MCULE-3390093551 [1,1,0,0,0,0|1,0,0]=3 645 B9R0.11 CC(N)(CC(=O)O)C(=O)O MCULE-4137717341 [1,1,0,0,0,0|1,0,0]=3 646 B9R0.11 CC(O)(CC(=O)O)C(=O)O MCULE-8670926890 [1,1,0,0,0,0|1,0,0]=3 647 B9R0.11 C[C@@](N)(CC(=O)O)C(=O)O MCULE-5803003392 [1,1,0,0,0,0|1,0,0]=3 648 B9R0.11 C[C@@](N)(CC(=O)O)C(=O)O MCULE-7987571569 [1,1,0,0,0,0|1,0,0]=3 649 B9R0.11 C[C@](N)(CC(=O)N)C(=O)O MCULE-5803295303 [1,1,0,0,0,0|0,0,0]=2 650 B9R0.11 C[C@](N)(CC(=O)N)C(=O)O MCULE-9662132548 [1,1,0,0,0,0|0,0,0]=2 651 B9R0.11 C[C@](N)(CC(=O)O)C(=O)O MCULE-4314292616 [1,1,0,0,0,0|1,0,0]=3 652 B9R0.11 C[C@](O)(CC(=O)O)C(=O)O MCULE-1934088864 [1,1,0,0,0,0|1,0,0]=3 653 B9R0.11 O=C(O)CC(F)(F)C(=O)O MCULE-7706048377 [1,1,0,0,0,0|2,0,0]=4 654 B9R0.11 O=C(O)CC(S)(S)C(=O)O MCULE-7344489814 [1,1,0,0,0,0|1,1,0]=4 655 B9R0.23 C(N)(CC(=O)O)C(=O)OC MCULE-3786901582 [1,1,0,0,0,0|1,0,0]=3 656 B9R0.23 C=C(C)CC(N)C(=O)OC MCULE-2770411625 [1,1,0,0,0,0|2,0,0]=4 657 B9R0.23 CN(CC(=O)O)C(=O)CN MCULE-9356220331 [1,1,0,0,0,0|2,0,0]=4 658 B9R0.23 COC(=O)C(C)CC(=O)C MCULE-2131243248 [1,1,0,0,0,0|2,0,0]=4 659 B9R0.23 COC(=O)C(C)CC(=O)O MCULE-5268313344 [1,1,0,0,0,0|2,0,0]=4 660 B9R0.23 COC(=O)C(N)CC(=O)N MCULE-1752536252 [1,1,0,0,0,0|0,0,0]=2 661 B9R0.23 COC(=O)C(N)CC(=O)N MCULE-5054924778 [1,1,0,0,0,0|0,0,0]=2 662 B9R0.23 COC(=O)C(N)CC(=O)O MCULE-7519781259 [1,1,0,0,0,0|1,0,0]=3 663 B9R0.23 COC(=O)[C@@H](C)CC(=O)O MCULE-8145746541 [1,1,0,0,0,0|2,0,0]=4 664 B9R0.23 COC(=O)[C@@H](N)CC(=O)N MCULE-2903193624 [1,1,0,0,0,0|0,0,0]=2 665 B9R0.23 COC(=O)[C@@H](N)CC(=O)N MCULE-3686406545 [1,1,0,0,0,0|0,0,0]=2 666 B9R0.23 COC(=O)[C@@H](N)CC(=O)N MCULE-3726434187 [1,1,0,0,0,0|0,0,0]=2 667 B9R0.23 COC(=O)[C@@H](N)CC(=O)N MCULE-9719605200 [1,1,0,0,0,0|0,0,0]=2 668 B9R0.23 COC(=O)[C@@H](N)CC(=O)O MCULE-2094999701 [1,1,0,0,0,0|1,0,0]=3 669 B9R0.23 COC(=O)[C@@H](N)CC(=O)O MCULE-9407721038 [1,1,0,0,0,0|1,0,0]=3 670 B9R0.23 COC(=O)[C@@H](O)CC(=O)O MCULE-4149383309 [1,1,0,0,0,0|1,0,0]=3 671 B9R0.23 COC(=O)[C@@H](O)CC(=O)O MCULE-4834047702 [1,1,0,0,0,0|1,0,0]=3 672 B9R0.23 COC(=O)[C@H](N)CC(=O)N MCULE-3007207072 [1,1,0,0,0,0|0,0,0]=2 673 B9R0.23 COC(=O)[C@H](N)CC(=O)N MCULE-3103219361 [1,1,0,0,0,0|0,0,0]=2 674 B9R0.23 COC(=O)[C@H](N)CC(=O)N MCULE-6097450650 [1,1,0,0,0,0|0,0,0]=2 675 B9R0.23 COC(=O)[C@H](N)CC(=O)N MCULE-7427879831 [1,1,0,0,0,0|0,0,0]=2 676 B9R0.23 COC(=O)[C@H](N)CC(=O)O MCULE-1453787543 [1,1,0,0,0,0|1,0,0]=3 677 B9R0.23 COC(=O)[C@H](N)CC(=O)O MCULE-8348108837 [1,1,0,0,0,0|1,0,0]=3 678 B9R0.23 COC(=O)[C@H](N)CC(=O)O MCULE-8725707708 [1,1,0,0,0,0|1,0,0]=3 679 B9R0.23 COC(=O)[C@H](O)CC(=O)O MCULE-2124989741 [1,1,0,0,0,0|1,0,0]=3 680 B9R0.23 COC(=O)[C@H](O)CC(=O)O MCULE-9803650256 [1,1,0,0,0,0|1,0,0]=3 681 B9R0.23 O=C(O)CC(Br)C(=O)CBr MCULE-5319460867 [1,1,0,0,0,0|2,0,0]=4 682 B9R0.23 [C@H](N)(CC(=O)O)C(=O)OC MCULE-3013306674 [1,1,0,0,0,0|1,0,0]=3 683 B9R0.39 CCC(CC(=O)O)C(=O)O MCULE-6275256194 [1,1,0,0,0,0|2,0,0]=4 684 B9R0.39 CCC(NC(=O)N)C(=O)O MCULE-1973871135 [1,1,0,0,0,0|2,0,0]=4 685 B9R0.39 CNC(CC(=O)O)C(=O)O MCULE-5049531079 [1,1,0,0,0,0|1,0,0]=3 686 B9R0.39 CN[C@@H](CC(=O)N)C(=O)O MCULE-2449462396 [1,1,0,0,0,0|0,0,0]=2 687 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O MCULE-4725692041 [1,1,0,0,0,0|1,0,0]=3 688 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O MCULE-6356483886 [1,1,0,0,0,0|1,0,0]=3 689 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O MCULE-9428412153 [1,1,0,0,0,0|1,0,0]=3 690 B9R0.39 CN[C@H](CC(=O)N)C(=O)O MCULE-2092394249 [1,1,0,0,0,0|0,0,0]=2 691 B9R0.39 CN[C@H](CC(=O)O)C(=O)O MCULE-1405442072 [1,1,0,0,0,0|1,0,0]=3 692 B9R0.39 CN[C@H](CC(=O)O)C(=O)O MCULE-8611804669 [1,1,0,0,0,0|1,0,0]=3 693 B9R0.39 CN[C@H](CC(=O)O)C(=O)O MCULE-9080466863 [1,1,0,0,0,0|1,0,0]=3 694 B9R0.39 COC(CC(=O)O)C(=O)O MCULE-3778948045 [1,1,0,0,0,0|1,0,0]=3 695 B9R0.39 NC(=O)NC(CO)C(=O)O MCULE-8322024012 [1,1,0,0,0,0|2,0,0]=4 696 B9R0.39 NC(=O)NC(CS)C(=O)O MCULE-3558033323 [1,1,0,0,0,0|2,0,0]=4 697 B9R0.39 NC(=O)N[C@@H](CS)C(=O)O MCULE-9735857877 [1,1,0,0,0,0|2,0,0]=4 698 B9R0.39 NCC(CC(=O)O)C(=O)O MCULE-1683659350 [1,1,0,0,0,0|1,0,0]=3 699 B9R0.39 NCC(CC(=O)O)C(=O)O MCULE-8428141166 [1,1,0,0,0,0|1,0,0]=3 700 B9R0.39 NCN(CC(=O)O)C(=O)O MCULE-9677383798 [1,1,0,0,0,0|2,0,0]=4 701 B9R0.39 O=C(O)CC(CS)C(=O)O MCULE-7352825049 [1,1,0,0,0,0|1,1,0]=4 702 B9R0.42 C(N)(CC(=O)OC)C(=O)O MCULE-8015036052 [1,1,0,0,0,0|1,0,0]=3 703 B9R0.42 C=C(CC(=O)NC)C(=O)O MCULE-5432016245 [1,1,0,0,0,0|1,0,1]=4 704 B9R0.42 CC(NC(=O)CN)C(=O)O MCULE-2027405418 [1,1,0,0,0,0|2,0,0]=4 705 B9R0.42 CCC(=O)CC(N)C(=O)O MCULE-7167843152 [1,1,0,0,0,0|1,0,0]=3 706 B9R0.42 CCC(=O)CC(N)C(=O)O MCULE-9225518491 [1,1,0,0,0,0|1,0,0]=3 707 B9R0.42 CNC(=O)CC(N)C(=O)O MCULE-1910017583 [1,1,0,0,0,0|0,0,0]=2 708 B9R0.42 CNC(=O)CC(N)C(=O)O MCULE-2273353640 [1,1,0,0,0,0|0,0,0]=2 709 B9R0.42 CNC(=O)C[C@@H](N)C(=O)O MCULE-6316771422 [1,1,0,0,0,0|0,0,0]=2 710 B9R0.42 CNC(=O)C[C@@H](N)C(=O)O MCULE-8833942582 [1,1,0,0,0,0|0,0,0]=2 711 B9R0.42 CNC(=O)C[C@H](N)C(=O)O MCULE-7953918935 [1,1,0,0,0,0|0,0,0]=2 712 B9R0.42 CNC(=O)C[C@H](N)C(=O)O MCULE-9595811834 [1,1,0,0,0,0|0,0,0]=2 713 B9R0.42 COC(=O)CC(Br)C(=O)C MCULE-7344095898 [1,1,0,0,0,0|2,0,0]=4 714 B9R0.42 COC(=O)CC(C)C(=O)O MCULE-5595331018 [1,1,0,0,0,0|2,0,0]=4 715 B9R0.42 COC(=O)CC(C)C(=O)O MCULE-9262719853 [1,1,0,0,0,0|2,0,0]=4 716 B9R0.42 COC(=O)CC(N)C(=O)O MCULE-1915038693 [1,1,0,0,0,0|1,0,0]=3 717 B9R0.42 COC(=O)CC(N)C(=O)O MCULE-4452484594 [1,1,0,0,0,0|1,0,0]=3 718 B9R0.42 COC(=O)CC(N)C(=O)O MCULE-8573910427 [1,1,0,0,0,0|1,0,0]=3 719 B9R0.42 COC(=O)CC(O)C(=O)O MCULE-7105554854 [1,1,0,0,0,0|1,0,0]=3 720 B9R0.42 COC(=O)C[C@@H](C)C(=O)Cl MCULE-7326666072 [1,1,0,0,0,0|2,0,0]=4 721 B9R0.42 COC(=O)C[C@@H](C)C(=O)O MCULE-4861767896 [1,1,0,0,0,0|2,0,0]=4 722 B9R0.42 COC(=O)C[C@@H](C)C(=O)O MCULE-6107558545 [1,1,0,0,0,0|2,0,0]=4 723 B9R0.42 COC(=O)C[C@@H](N)C(=O)O MCULE-2364792775 [1,1,0,0,0,0|1,0,0]=3 724 B9R0.42 COC(=O)C[C@@H](N)C(=O)O MCULE-3240459376 [1,1,0,0,0,0|1,0,0]=3 725 B9R0.42 COC(=O)C[C@@H](N)C(=O)O MCULE-5997294610 [1,1,0,0,0,0|1,0,0]=3 726 B9R0.42 COC(=O)C[C@@H](N)C(=O)O MCULE-6955235147 [1,1,0,0,0,0|1,0,0]=3 727 B9R0.42 COC(=O)C[C@@H](O)C(=O)O MCULE-8916007864 [1,1,0,0,0,0|1,0,0]=3 728 B9R0.42 COC(=O)C[C@H](C)C(=O)O MCULE-1205037322 [1,1,0,0,0,0|2,0,0]=4 729 B9R0.42 COC(=O)C[C@H](C)C(=O)O MCULE-7536209773 [1,1,0,0,0,0|2,0,0]=4 730 B9R0.42 COC(=O)C[C@H](N)C(=O)O MCULE-3838383924 [1,1,0,0,0,0|1,0,0]=3 731 B9R0.42 COC(=O)C[C@H](N)C(=O)O MCULE-4621655906 [1,1,0,0,0,0|1,0,0]=3 732 B9R0.42 COC(=O)C[C@H](N)C(=O)O MCULE-5113413935 [1,1,0,0,0,0|1,0,0]=3 733 B9R0.42 COC(=O)C[C@H](N)C(=O)O MCULE-9857677224 [1,1,0,0,0,0|1,0,0]=3 734 B9R0.42 COC(=O)C[C@H](O)C(=O)O MCULE-9897810817 [1,1,0,0,0,0|1,0,0]=3 735 B9R0.42 C[C@H](NC(=O)CN)C(=O)O MCULE-2496637228 [1,1,0,0,0,0|2,0,0]=4 736 B9R0.42 NC(CN(O)N=O)C(=O)O MCULE-5880257959 [1,1,0,0,0,0|2,0,0]=4 737 B9R0.42 NCC(=O)CC(N)C(=O)O MCULE-5617919538 [1,1,0,0,0,0|0,0,0]=2 738 B9R0.42 NCC(=O)CC(N)C(=O)O MCULE-5853178152 [1,1,0,0,0,0|0,0,0]=2 739 B9R0.42 N[C@@H](CC(=O)NO)C(=O)O MCULE-2694436901 [1,1,0,0,0,0|0,0,0]=2 740 B9R0.42 N[C@@H](CN(O)N=O)C(=O)O MCULE-5513289219 [1,1,0,0,0,0|2,0,0]=4 741 B9R0.42 [C@@H](C)(NC(=O)CN)C(=O)O MCULE-7578084271 [1,1,0,0,0,0|2,0,0]=4 742 B9R0.42 [C@H](N)(CN(O)N=O)C(=O)O MCULE-4128156769 [1,1,0,0,0,0|2,0,0]=4 743 B9R0.57 CS(=O)(=O)C[C@H](N)C(=O)O MCULE-1117561111 [1,1,0,0,0,0|2,0,0]=4 744 B9R0.57 CS(=O)(=O)C[C@H](N)C(=O)O MCULE-3044564695 [1,1,0,0,0,0|2,0,0]=4 745 B9R0.57 NC(CP(=O)(O)O)C(=O)O MCULE-3742656954 [1,1,0,0,0,0|2,0,0]=4 746 B9R0.57 NC(CS(=O)(=O)O)C(=O)O MCULE-3360025136 [1,1,0,0,0,0|2,0,0]=4 747 B9R0.57 NC(CS(=O)(=O)O)C(=O)O MCULE-4680118250 [1,1,0,0,0,0|2,0,0]=4 748 B9R0.57 N[C@@H](CP(=O)(O)O)C(=O)O MCULE-6935567843 [1,1,0,0,0,0|2,0,0]=4 749 B9R0.57 N[C@@H](CS(=O)(=O)O)C(=O)O MCULE-1558128725 [1,1,0,0,0,0|2,0,0]=4 750 B9R0.57 N[C@@H](CS(=O)(=O)O)C(=O)O MCULE-6109276112 [1,1,0,0,0,0|2,0,0]=4 751 B11R0.92 C[C@@H](OC(=O)CN)[C@H](N)C(=O)O MCULE-2577436454 [0,1,0,0,0,1|1,0,0]=3 752 B11R0.206 O=C(O)C(O)C(O)C(O)C(=O)O MCULE-4852574589 [0,1,0,0,0,1|2,0,0]=4 753 B11R0.169 NC(CC(F)(F)C(=O)O)C(=O)O MCULE-9496860126 [0,1,0,0,0,1|2,0,0]=4 754 B11R0.169 N[C@@H](CC(F)(F)C(=O)O)C(=O)O MCULE-6781805828 [0,1,0,0,0,1|2,0,0]=4 755 B11R0.275 CCC(C[C@H](N)C(=O)O)C(=O)O MCULE-1744478562 [0,1,0,0,0,1|2,0,0]=4 756 B11R0.66 CNC(=O)C(O)C(O)C(=O)NC MCULE-1125432473 [0,2,0,0,0,0|2,0,0]=4 757 B11R0.66 COC(=O)C(N)C(O)C(=O)OC MCULE-4357107230 [0,2,0,0,0,0|1,0,0]=3 758 B11R0.66 COC(=O)C(N)C(O)C(=O)OC MCULE-5911741948 [0,2,0,0,0,0|1,0,0]=3 759 B11R0.66 COC(=O)C(O)C(O)C(=O)OC MCULE-4774009245 [0,2,0,0,0,0|2,0,0]=4 760 B11R0.66 COC(=O)[C@@H](O)[C@@H](O)C(=O)OC MCULE-4143242485 [0,2,0,0,0,0|2,0,0]=4 761 B11R0.66 COC(=O)[C@@H](O)[C@H](O)C(=O)OC MCULE-1262746656 [0,2,0,0,0,0|2,0,0]=4 762 B11R0.66 COC(=O)[C@@H](O)[C@H](O)C(=O)OC MCULE-1511398364 [0,2,0,0,0,0|2,0,0]=4 763 B11R0.66 COC(=O)[C@H](N)[C@@H](O)C(=O)OC MCULE-5855006134 [0,2,0,0,0,0|1,0,0]=3 764 B11R0.66 COC(=O)[C@H](O)[C@@H](O)C(=O)OC MCULE-2007760128 [0,2,0,0,0,0|2,0,0]=4 765 B11R0.66 NNC(=O)C(O)C(O)C(=O)NN MCULE-4941398577 [0,2,0,0,0,0|2,0,0]=4 766 B11R0.66 [C@H](O)(C(=O)OC)[C@@H](O)C(=O)OC MCULE-8740293471 [0,2,0,0,0,0|2,0,0]=4 767 B11R0.287 COC(=O)C(C)(C)C(N)C(=O)O MCULE-6701682609 [0,2,0,0,0,0|2,0,0]=4 768 B11R0.198 CC(O)(C(=O)O)C(C)(O)C(=O)O MCULE-5420702283 [0,2,0,0,0,0|2,0,0]=4 769 B9R1.37 CC1C(=O)NC(=O)C1C MCULE-1244228905 [1,0,0,1,0,0|2,0,0]=4 770 B9R1.37 CC1C(=O)OC(=O)C1C MCULE-1136120780 [1,0,0,1,0,0|2,0,0]=4 771 B9R1.37 CN1C(=O)NC(=O)C1O MCULE-7416083579 [1,0,0,1,0,0|2,0,0]=4 772 B9R1.37 O=C1NC(=O)C(C1Br)Br MCULE-7924949949 [1,0,0,1,0,0|2,0,0]=4 773 B9R1.37 O=C1OC(=O)C(C1Br)Br MCULE-1918579313 [1,0,0,1,0,0|2,0,0]=4 774 B9R1.41 O=C(O)C1CNCC1O MCULE-4948062518 [1,0,0,1,0,0|1,0,1]=4 775 B9R1.41 O=C(O)C1CNCC1O MCULE-8113161890 [1,0,0,1,0,0|1,0,1]=4 776 B9R1.41 O=C(O)C1NCCC1O MCULE-3415911467 [1,0,0,1,0,0|1,0,1]=4 777 B9R1.41 O=C(O)C1NCCC1O MCULE-3678949962 [1,0,0,1,0,0|1,0,1]=4 778 B9R1.41 O=C(O)C1NCCC1O MCULE-6594922763 [1,0,0,1,0,0|1,0,1]=4 779 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O MCULE-1216340314 [1,0,0,1,0,0|1,0,1]=4 780 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O MCULE-1564327038 [1,0,0,1,0,0|1,0,1]=4 781 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O MCULE-8208546333 [1,0,0,1,0,0|1,0,1]=4 782 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O MCULE-9489383113 [1,0,0,1,0,0|1,0,1]=4 783 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O MCULE-9999937302 [1,0,0,1,0,0|1,0,1]=4 784 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O MCULE-1637514285 [1,0,0,1,0,0|1,0,1]=4 785 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O MCULE-7041138309 [1,0,0,1,0,0|1,0,1]=4 786 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O MCULE-9174140225 [1,0,0,1,0,0|1,0,1]=4 787 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O MCULE-9867563873 [1,0,0,1,0,0|1,0,1]=4 788 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O MCULE-1891620706 [1,0,0,1,0,0|1,0,1]=4 789 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O MCULE-2757873569 [1,0,0,1,0,0|1,0,1]=4 790 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O MCULE-2760733859 [1,0,0,1,0,0|1,0,1]=4 791 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O MCULE-2253713572 [1,0,0,1,0,0|1,0,1]=4 792 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O MCULE-4523708371 [1,0,0,1,0,0|1,0,1]=4 793 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O MCULE-6240521801 [1,0,0,1,0,0|1,0,1]=4 794 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O MCULE-6709232399 [1,0,0,1,0,0|1,0,1]=4 795 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O MCULE-6746975985 [1,0,0,1,0,0|1,0,1]=4 796 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O MCULE-8268334758 [1,0,0,1,0,0|1,0,1]=4 797 B9R1.41 [C@@H]1(CCN[C@H]1C(=O)O)O MCULE-2060265421 [1,0,0,1,0,0|1,0,1]=4 798 B9R1.41 [C@@H]1(NCC[C@H]1O)C(=O)O MCULE-1208236317 [1,0,0,1,0,0|1,0,1]=4 799 B9R1.41 [C@H]1(CCN[C@H]1C(=O)O)O MCULE-3906438921 [1,0,0,1,0,0|1,0,1]=4 800 B9R1.45 C=C1CC1C(N)C(=O)O MCULE-7249491598 [1,0,0,1,0,0|2,0,0]=4 801 B9R1.93 C=C[C@@H]1C[C@]1(N)C(=O)O MCULE-4179168539 [1,0,0,1,0,0|2,0,0]=4 802 B9R1.111 NC(C(=O)O)C1(CC1)O MCULE-6983168418 [1,0,0,1,0,0|1,0,1]=4 803 B9R1.111 NC(C(=O)O)C1(CC1)O MCULE-8148582012 [1,0,0,1,0,0|1,0,1]=4 804 B9R1.111 N[C@@H](C(=O)O)C1(CC1)O MCULE-3141771978 [1,0,0,1,0,0|1,0,1]=4 805 B9R1.111 N[C@H](C(=O)O)C1(CC1)O MCULE-9602505956 [1,0,0,1,0,0|1,0,1]=4 806 B9R1.35 C1(CCC(=O)C1)C(=O)O MCULE-7485965564 [1,0,0,1,0,0|2,0,0]=4 807 B9R1.35 CC(=O)C1COC(=O)C1 MCULE-4262262510 [1,0,0,1,0,0|2,0,0]=4 808 B9R1.35 NC(=O)C1CC(=NO1)Br MCULE-6809638884 [1,0,0,1,0,0|2,0,0]=4 809 B9R1.35 NC(=O)C1CNC(=O)C1 MCULE-2954653092 [1,0,0,1,0,0|2,0,0]=4 810 B9R1.35 NC1=NNC(N1)C(=O)O MCULE-8622860614 [1,0,0,1,0,0|2,0,0]=4 811 B9R1.35 NC1CNC(C1)C(=O)O MCULE-1416144501 [1,0,0,1,0,0|1,0,1]=4 812 B9R1.35 NC1CNC(C1)C(=O)O MCULE-4706388278 [1,0,0,1,0,0|1,0,1]=4 813 B9R1.35 N[C@@H]1CN[C@@H](C1)C(=O)O MCULE-4990800122 [1,0,0,1,0,0|1,0,1]=4 814 B9R1.35 N[C@@H]1CN[C@@H](C1)C(=O)O MCULE-5172267597 [1,0,0,1,0,0|1,0,1]=4 815 B9R1.35 N[C@@H]1CN[C@@H](C1)C(=O)O MCULE-7010431429 [1,0,0,1,0,0|1,0,1]=4 816 B9R1.35 N[C@@H]1CN[C@@H](C1)C(=O)O MCULE-8754522437 [1,0,0,1,0,0|1,0,1]=4 817 B9R1.35 N[C@@H]1CN[C@H](C1)C(=O)O MCULE-4906071490 [1,0,0,1,0,0|1,0,1]=4 818 B9R1.35 N[C@@H]1CN[C@H](C1)C(=O)O MCULE-7656739611 [1,0,0,1,0,0|1,0,1]=4 819 B9R1.35 N[C@@H]1CN[C@H](C1)C(=O)O MCULE-8732136397 [1,0,0,1,0,0|1,0,1]=4 820 B9R1.35 N[C@@H]1CN[C@H](C1)C(=O)O MCULE-9871023526 [1,0,0,1,0,0|1,0,1]=4 821 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-1698400731 [1,0,0,1,0,0|1,0,1]=4 822 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-1983861108 [1,0,0,1,0,0|1,0,1]=4 823 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-2838978471 [1,0,0,1,0,0|1,0,1]=4 824 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-5103662767 [1,0,0,1,0,0|1,0,1]=4 825 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-5299594489 [1,0,0,1,0,0|1,0,1]=4 826 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-6235136925 [1,0,0,1,0,0|1,0,1]=4 827 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-8629641721 [1,0,0,1,0,0|1,0,1]=4 828 B9R1.35 N[C@H]1CN[C@H](C1)C(=O)O MCULE-2973551231 [1,0,0,1,0,0|1,0,1]=4 829 B9R1.35 N[C@H]1CN[C@H](C1)C(=O)O MCULE-3190600485 [1,0,0,1,0,0|1,0,1]=4 830 B9R1.35 O=C1C=C(NN1)C(=O)O MCULE-2820101826 [1,0,0,1,0,0|0,0,2]=4 831 B9R1.35 O=C1CC(=NN1)C(=O)O MCULE-2135539733 [1,0,0,1,0,0|0,0,2]=4 832 B9R1.35 O=C1CC(CN1)C(=O)O MCULE-2190630193 [1,0,0,1,0,0|1,0,0]=3 833 B9R1.35 O=C1CC(CO1)C(=O)O MCULE-4876585769 [1,0,0,1,0,0|2,0,0]=4 834 B9R1.35 O=C1CC(CS1)C(=O)O MCULE-5763665475 [1,0,0,1,0,0|2,0,0]=4 835 B9R1.35 O=C1CC(NN1)C(=O)O MCULE-3197471189 [1,0,0,1,0,0|0,0,0]=2 836 B9R1.35 O=C1CCC(C1)C(=O)O MCULE-8715651663 [1,0,0,1,0,0|2,0,0]=4 837 B9R1.35 O=C1CC[C@@H](C1)C(=O)O MCULE-1554776363 [1,0,0,1,0,0|2,0,0]=4 838 B9R1.35 O=C1CC[C@@H](C1)C(=O)O MCULE-4649943680 [1,0,0,1,0,0|2,0,0]=4 839 B9R1.35 O=C1CC[C@H](C1)C(=O)O MCULE-6597072682 [1,0,0,1,0,0|2,0,0]=4 840 B9R1.35 O=C1CC[C@H](C1)C(=O)O MCULE-7880064966 [1,0,0,1,0,0|2,0,0]=4 841 B9R1.35 O=C1CNC(C1)C(=O)O MCULE-7418065190 [1,0,0,1,0,0|1,0,0]=3 842 B9R1.35 O=C1CNC(C1)C(=O)O MCULE-7697956784 [1,0,0,1,0,0|1,0,0]=3 843 B9R1.35 O=C1CNC(C1)C(=O)O MCULE-9520720032 [1,0,0,1,0,0|1,0,0]=3 844 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-2573903934 [1,0,0,1,0,0|1,0,0]=3 845 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-3585746586 [1,0,0,1,0,0|1,0,0]=3 846 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-4771747932 [1,0,0,1,0,0|1,0,0]=3 847 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-4795592072 [1,0,0,1,0,0|1,0,0]=3 848 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-6928857625 [1,0,0,1,0,0|1,0,0]=3 849 B9R1.35 O=C1COC(C1)C(=O)O MCULE-4720798204 [1,0,0,1,0,0|2,0,0]=4 850 B9R1.35 O=C1CSC(C1)C(=O)O MCULE-3309649635 [1,0,0,1,0,0|2,0,0]=4 851 B9R1.35 O=C1C[C@@H](CN1)C(=O)O MCULE-5673992530 [1,0,0,1,0,0|1,0,0]=3 852 B9R1.35 O=C1C[C@@H](CN1)C(=O)O MCULE-8443757903 [1,0,0,1,0,0|1,0,0]=3 853 B9R1.35 O=C1C[C@H](CN1)C(=O)O MCULE-1024601569 [1,0,0,1,0,0|1,0,0]=3 854 B9R1.35 O=C1C[C@H](CN1)C(=O)O MCULE-4280238532 [1,0,0,1,0,0|1,0,0]=3 855 B9R1.35 O=C1NCC(N1)C(=O)O MCULE-5872947769 [1,0,0,1,0,0|2,0,0]=4 856 B9R1.35 O=C1NCC(O1)C(=O)O MCULE-2773613806 [1,0,0,1,0,0|2,0,0]=4 857 B9R1.35 O=C1NC[C@@H](N1)C(=O)O MCULE-3499982275 [1,0,0,1,0,0|2,0,0]=4 858 B9R1.35 O=C1NC[C@@H](N1)C(=O)O MCULE-9995046216 [1,0,0,1,0,0|2,0,0]=4 859 B9R1.35 O=C1NC[C@H](N1)C(=O)O MCULE-2524102915 [1,0,0,1,0,0|2,0,0]=4 860 B9R1.35 O=C1NC[C@H](N1)C(=O)O MCULE-5992511798 [1,0,0,1,0,0|2,0,0]=4 861 B9R1.35 O=C1NC[C@H](O1)C(=O)O MCULE-5972751457 [1,0,0,1,0,0|2,0,0]=4 862 B9R1.35 O=C1NC[C@H](O1)C(=O)O MCULE-6879191654 [1,0,0,1,0,0|2,0,0]=4 863 B9R1.152 CC1(CC(=O)C1)C(=O)O MCULE-5766836727 [1,0,0,1,0,0|2,0,0]=4 864 B9R1.161 NC(=O)C1CC1C(=O)O MCULE-6146043873 [1,0,0,1,0,0|1,0,0]=3 865 B9R1.161 O=C(Cl)C1OC1C(=O)Cl MCULE-9383694320 [1,0,0,1,0,0|2,0,0]=4 866 B9R1.161 O=C(O)C1CC1C(=O)O MCULE-5636831869 [1,0,0,1,0,0|2,0,0]=4 867 B9R1.161 O=C(O)C1OC1C(=O)O MCULE-2308875813 [1,0,0,1,0,0|1,0,0]=3 868 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O MCULE-2176178577 [1,0,0,1,0,0|2,0,0]=4 869 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O MCULE-7341169681 [1,0,0,1,0,0|2,0,0]=4 870 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O MCULE-9766210553 [1,0,0,1,0,0|2,0,0]=4 871 B9R1.161 O=C(O)[C@@H]1O[C@H]1C(=O)O MCULE-2854301838 [1,0,0,1,0,0|1,0,0]=3 872 B9R1.161 O=C(O)[C@@H]1O[C@H]1C(=O)O MCULE-7193163448 [1,0,0,1,0,0|1,0,0]=3 873 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(=O)O MCULE-8230558967 [1,0,0,1,0,0|2,0,0]=4 874 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(=O)O MCULE-9433538416 [1,0,0,1,0,0|2,0,0]=4 875 B9R1.161 O=C(O)[C@H]1C[C@H]1C(=O)O MCULE-4280807741 [1,0,0,1,0,0|2,0,0]=4 876 B9R1.161 O=C(O)[C@H]1O[C@H]1C(=O)O MCULE-6088596771 [1,0,0,1,0,0|1,0,0]=3 877 B9R1.161 O=C([O-])[C@H]1O[C@H]1C(=O)[O-] MCULE-9392079342 [1,0,0,1,0,0|1,0,1]=4 878 B11R1.314 NC(C(=O)O)C1=CC(=O)NO1 MCULE-5209210148 [0,0,0,1,0,1|0,0,1]=3 879 B11R1.314 NC(C(=O)O)C1CC(=NO1)Cl MCULE-6867984598 [0,0,0,1,0,1|1,0,1]=4 880 B11R1.314 N[C@H](C(=O)O)C1=CC(=O)NO1 MCULE-5753702701 [0,0,0,1,0,1|0,0,1]=3 881 B11R1.314 N[C@H](C(=O)O)[C@@H]1CC(=NO1)Cl MCULE-8014869234 [0,0,0,1,0,1|1,0,1]=4 882 B11R1.314 N[C@H](C(=O)O)[C@@H]1CC(=NO1)Cl MCULE-8912888459 [0,0,0,1,0,1|1,0,1]=4 883 B11R1.314 [C@H]1(CC(=NO1)Cl)[C@H](N)C(=O)O MCULE-3772225791 [0,0,0,1,0,1|1,0,1]=4 884 B11R1.704 C1(CC1C(=O)O)C(N)C(=O)O MCULE-4575165023 [0,0,0,1,0,1|2,0,0]=4 885 B11R1.704 N[C@H](C(=O)O)[C@H]1C[C@H]1C(=O)O MCULE-2251690284 [0,0,0,1,0,1|2,0,0]=4 886 B11R1.704 [C@@H]1(C[C@@H]1C(=O)O)[C@H](N)C(=O)O MCULE-9452045165 [0,0,0,1,0,1|2,0,0]=4 887 B11R1.704 [C@H]1(C[C@@H]1C(=O)O)[C@H](N)C(=O)O MCULE-8026317060 [0,0,0,1,0,1|2,0,0]=4 888 B11R1.175 NC(=O)C1CCC(C1)C(=O)O MCULE-6317737981 [0,0,0,1,0,1|2,0,0]=4 889 B11R1.175 NC(=O)[C@@H]1CC[C@@H](O1)C(=O)O MCULE-9051441174 [0,0,0,1,0,1|2,0,0]=4 890 B11R1.175 O=C(O)C1CNC(C1)C(=O)O MCULE-8937278367 [0,0,0,1,0,1|2,0,0]=4 891 B11R1.175 O=C(O)[C@@H]1CN[C@@H](C1)C(=O)O MCULE-1390451256 [0,0,0,1,0,1|2,0,0]=4 892 B11R1.175 O=C(O)[C@@H]1CN[C@@H](C1)C(=O)O MCULE-7979026465 [0,0,0,1,0,1|2,0,0]=4 893 B11R1.175 O=C(O)[C@@H]1CN[C@@H](C1)C(=O)O MCULE-9063795349 [0,0,0,1,0,1|2,0,0]=4 894 B11R1.175 O=C(O)[C@@H]1CN[C@H](C1)C(=O)O MCULE-5420917584 [0,0,0,1,0,1|2,0,0]=4 895 B11R1.175 O=C(O)[C@@H]1C[C@H](CN1)C(=O)O MCULE-2467535885 [0,0,0,1,0,1|2,0,0]=4 896 B11R1.1389 NC1(CC(C1)C(=O)O)C(=O)O MCULE-1543172703 [0,0,0,1,0,1|2,0,0]=4 897 B11R1.1389 N[C@@]1(C[C@@H](C1)C(=O)O)C(=O)O MCULE-6569163998 [0,0,0,1,0,1|2,0,0]=4 898 B11R1.1389 N[C@@]1(C[C@H](C1)C(=O)O)C(=O)O MCULE-3442699763 [0,0,0,1,0,1|2,0,0]=4 899 B11R1.178 O=C(O)C1CCNC1C(=O)O MCULE-2316581520 [0,1,0,1,0,0|2,0,0]=4 900 B11R1.178 O=C(O)C1CCNC1C(=O)O MCULE-9331741117 [0,1,0,1,0,0|2,0,0]=4 901 B11R1.178 O=C(O)C1COCC1C(=O)O MCULE-4469020347 [0,1,0,1,0,0|2,0,0]=4 902 B11R1.178 O=C(O)[C@@H]1CNC[C@@H]1C(=O)O MCULE-7094844570 [0,1,0,1,0,0|2,0,0]=4 903 B11R1.178 O=C(O)[C@@H]1COC[C@@H]1C(=O)O MCULE-2959853524 [0,1,0,1,0,0|2,0,0]=4 904 B11R1.178 O=C(O)[C@@H]1COC[C@H]1C(=O)O MCULE-9190757159 [0,1,0,1,0,0|2,0,0]=4 905 B11R1.178 O=C(O)[C@H]1COC[C@@H]1C(=O)O MCULE-4154653911 [0,1,0,1,0,0|2,0,0]=4 906 B11R1.178 O=C(O)[C@H]1COC[C@@H]1C(=O)O MCULE-5321587208 [0,1,0,1,0,0|2,0,0]=4 907 B9R0.7 C(N)(CCC(=O)[O-])C(=O)O MCULE-5359010340 [1,0,0,0,0,1|1,0,0]=3 908 B9R0.7 CC(=CCC(N)C(=O)O)C MCULE-9020150203 [1,0,0,0,0,1|2,0,0]=4 909 B9R0.7 CC(=CC[C@@H](N)C(=O)O)C MCULE-7822845293 [1,0,0,0,0,1|2,0,0]=4 910 B9R0.7 CC(=CC[C@H](N)C(=O)O)C MCULE-6208618845 [1,0,0,0,0,1|2,0,0]=4 911 B9R0.7 CC(=O)C(C)CCC(=O)O MCULE-9124111940 [1,0,0,0,0,1|2,0,0]=4 912 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-4063734192 [1,0,0,0,0,1|1,0,0]=3 913 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-6252379108 [1,0,0,0,0,1|1,0,0]=3 914 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-6448707862 [1,0,0,0,0,1|1,0,0]=3 915 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-8255582994 [1,0,0,0,0,1|1,0,0]=3 916 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-2377153563 [1,0,0,0,0,1|1,0,0]=3 917 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-2469027462 [1,0,0,0,0,1|1,0,0]=3 918 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-4796013964 [1,0,0,0,0,1|1,0,0]=3 919 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-9408226443 [1,0,0,0,0,1|1,0,0]=3 920 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-1751945139 [1,0,0,0,0,1|1,0,0]=3 921 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-3822387628 [1,0,0,0,0,1|1,0,0]=3 922 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-6052634347 [1,0,0,0,0,1|1,0,0]=3 923 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-6909390355 [1,0,0,0,0,1|1,0,0]=3 924 B9R0.7 CC(=O)SCC(C)C(=O)N MCULE-5520753765 [1,0,0,0,0,1|2,0,0]=4 925 B9R0.7 CC(=O)SCC(C)C(=O)O MCULE-5116238206 [1,0,0,0,0,1|2,0,0]=4 926 B9R0.7 CC(=O)SCC(N)C(=O)O MCULE-2891442308 [1,0,0,0,0,1|1,0,0]=3 927 B9R0.7 CC(=O)SCC(N)C(=O)O MCULE-4623851451 [1,0,0,0,0,1|1,0,0]=3 928 B9R0.7 CC(=O)SC[C@@H](C)C(=O)O MCULE-8028939364 [1,0,0,0,0,1|2,0,0]=4 929 B9R0.7 CC(=O)SC[C@@H](C)C(=O)O MCULE-8973266419 [1,0,0,0,0,1|2,0,0]=4 930 B9R0.7 CC(=O)SC[C@H](N)C(=O)O MCULE-1698125004 [1,0,0,0,0,1|1,0,0]=3 931 B9R0.7 CC(=O)SC[C@H](N)C(=O)O MCULE-6046193594 [1,0,0,0,0,1|1,0,0]=3 932 B9R0.7 CC(CCC(=O)O)C(=O)O MCULE-1523371907 [1,0,0,0,0,1|2,0,0]=4 933 B9R0.7 CC(CCC(=O)O)C(=O)O MCULE-1939523418 [1,0,0,0,0,1|2,0,0]=4 934 B9R0.7 CC(CNC(=O)N)C(=O)O MCULE-6367938073 [1,0,0,0,0,1|1,0,0]=3 935 B9R0.7 CC(NCC(=O)O)C(=O)O MCULE-1111290878 [1,0,0,0,0,1|2,0,0]=4 936 B9R0.7 CC(NCC(=O)O)C(=O)O MCULE-6569987660 [1,0,0,0,0,1|2,0,0]=4 937 B9R0.7 CC(SCC(=O)O)C(=O)O MCULE-8523268796 [1,0,0,0,0,1|2,0,0]=4 938 B9R0.7 CS(=O)CCC(N)C(=O)O MCULE-2810141962 [1,0,0,0,0,1|2,0,0]=4 939 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O MCULE-3901672243 [1,0,0,0,0,1|2,0,0]=4 940 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O MCULE-3967415982 [1,0,0,0,0,1|2,0,0]=4 941 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O MCULE-6481206030 [1,0,0,0,0,1|2,0,0]=4 942 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O MCULE-6787807393 [1,0,0,0,0,1|2,0,0]=4 943 B9R0.7 CS(=O)CC[C@H](N)C(=O)O MCULE-1832499155 [1,0,0,0,0,1|2,0,0]=4 944 B9R0.7 C[C@@H](CCC(=O)O)C(=O)O MCULE-7515023265 [1,0,0,0,0,1|2,0,0]=4 945 B9R0.7 C[C@H](CCC(=O)O)C(=O)O MCULE-8441860655 [1,0,0,0,0,1|2,0,0]=4 946 B9R0.7 C[C@H](CCC(=O)O)C(=O)O MCULE-9071150671 [1,0,0,0,0,1|2,0,0]=4 947 B9R0.7 C[C@H](NCC(=O)O)C(=O)O MCULE-1511229567 [1,0,0,0,0,1|2,0,0]=4 948 B9R0.7 C[C@H](NCC(=O)O)C(=O)O MCULE-4530562082 [1,0,0,0,0,1|2,0,0]=4 949 B9R0.7 N=C(N)NCC(N)C(=O)O MCULE-1177262947 [1,0,0,0,0,1|1,0,0]=3 950 B9R0.7 N=C(N)NCC(N)C(=O)O MCULE-2474644851 [1,0,0,0,0,1|1,0,0]=3 951 B9R0.7 N=C(N)NCC(N)C(=O)O MCULE-5671557476 [1,0,0,0,0,1|1,0,0]=3 952 B9R0.7 N=C(N)NC[C@H](N)C(=O)O MCULE-3050097417 [1,0,0,0,0,1|1,0,0]=3 953 B9R0.7 N=C(N)NC[C@H](N)C(=O)O MCULE-3499032906 [1,0,0,0,0,1|1,0,0]=3 954 B9R0.7 N=C(N)NC[C@H](N)C(=O)O MCULE-4835798272 [1,0,0,0,0,1|1,0,0]=3 955 B9R0.7 N=C(N)NC[C@H](N)C(=O)O MCULE-8355456866 [1,0,0,0,0,1|1,0,0]=3 956 B9R0.7 N=C(N)NC[C@H](N)C(=O)O MCULE-8635327390 [1,0,0,0,0,1|1,0,0]=3 957 B9R0.7 NC(=O)C(N)CCC(=O)O MCULE-7109792615 [1,0,0,0,0,1|1,0,0]=3 958 B9R0.7 NC(=O)C(N)CCC(=O)O MCULE-8741984156 [1,0,0,0,0,1|1,0,0]=3 959 B9R0.7 NC(=O)CCC(N)C(=O)O MCULE-1418655814 [1,0,0,0,0,1|0,0,0]=2 960 B9R0.7 NC(=O)CC[C@@H](N)C(=O)N MCULE-3069717045 [1,0,0,0,0,1|1,0,0]=3 961 B9R0.7 NC(=O)CC[C@@H](N)C(=O)N MCULE-3964283106 [1,0,0,0,0,1|1,0,0]=3 962 B9R0.7 NC(=O)CC[C@@H](N)C(=O)N MCULE-8749190773 [1,0,0,0,0,1|1,0,0]=3 963 B9R0.7 NC(=O)CC[C@@H](N)C(=O)N MCULE-8900435477 [1,0,0,0,0,1|1,0,0]=3 964 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O MCULE-7870225738 [1,0,0,0,0,1|0,0,0]=2 965 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O MCULE-9711806580 [1,0,0,0,0,1|0,0,0]=2 966 B9R0.7 NC(=O)CC[C@H](N)C(=O)N MCULE-2293558876 [1,0,0,0,0,1|1,0,0]=3 967 B9R0.7 NC(=O)CC[C@H](N)C(=O)N MCULE-5457304555 [1,0,0,0,0,1|1,0,0]=3 968 B9R0.7 NC(=O)CC[C@H](N)C(=O)N MCULE-7482897734 [1,0,0,0,0,1|1,0,0]=3 969 B9R0.7 NC(=O)CC[C@H](N)C(=O)N MCULE-9074108708 [1,0,0,0,0,1|1,0,0]=3 970 B9R0.7 NC(=O)CC[C@H](N)C(=O)O MCULE-7234937947 [1,0,0,0,0,1|0,0,0]=2 971 B9R0.7 NC(=O)CC[C@H](N)C(=O)O MCULE-8718820108 [1,0,0,0,0,1|0,0,0]=2 972 B9R0.7 NC(=O)NCC(N)C(=O)O MCULE-4609961006 [1,0,0,0,0,1|0,0,0]=2 973 B9R0.7 NC(=O)NC[C@@H](N)C(=O)O MCULE-7506737023 [1,0,0,0,0,1|0,0,0]=2 974 B9R0.7 NC(=O)NC[C@H](N)C(=O)O MCULE-3123973606 [1,0,0,0,0,1|0,0,0]=2 975 B9R0.7 NC(=O)NC[C@H]([NH3+])C(=O)[O-] MCULE-2674726108 [1,0,0,0,0,1|0,0,2]=4 976 B9R0.7 NC(=O)SCC(N)C(=O)O MCULE-7865241343 [1,0,0,0,0,1|0,0,0]=2 977 B9R0.7 NC(=O)SC[C@H](N)C(=O)O MCULE-6647567669 [1,0,0,0,0,1|0,0,0]=2 978 B9R0.7 NC(=O)SC[C@H](N)C(=O)O MCULE-7995535877 [1,0,0,0,0,1|0,0,0]=2 979 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O MCULE-7404893649 [1,0,0,0,0,1|1,0,0]=3 980 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O MCULE-7580681383 [1,0,0,0,0,1|1,0,0]=3 981 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-3142698040 [1,0,0,0,0,1|1,0,0]=3 982 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-3865619229 [1,0,0,0,0,1|1,0,0]=3 983 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-8184010011 [1,0,0,0,0,1|1,0,0]=3 984 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-8981731652 [1,0,0,0,0,1|1,0,0]=3 985 B9R0.7 NC(CCC(=O)O)C(=O)O MCULE-4203507491 [1,0,0,0,0,1|1,0,0]=3 986 B9R0.7 NC(CCC(=O)O)C(=O)O MCULE-4600207704 [1,0,0,0,0,1|1,0,0]=3 987 B9R0.7 NC(CCC(=O)O)C(=O)O MCULE-8107432729 [1,0,0,0,0,1|1,0,0]=3 988 B9R0.7 NC(CCC(=O)[O-])C(=O)O MCULE-5012956158 [1,0,0,0,0,1|1,0,0]=3 989 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-6077524166 [1,0,0,0,0,1|1,0,0]=3 990 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-7201150413 [1,0,0,0,0,1|1,0,0]=3 991 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-7328895736 [1,0,0,0,0,1|1,0,0]=3 992 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-7782530856 [1,0,0,0,0,1|1,0,0]=3 993 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-9447720868 [1,0,0,0,0,1|1,0,0]=3 994 B9R0.7 N[C@@H](CCC(=O)O)C(=O)[O-] MCULE-3042990215 [1,0,0,0,0,1|1,0,1]=4 995 B9R0.7 N[C@@H](CCC(=O)[O-])C(=O)O MCULE-2315425063 [1,0,0,0,0,1|1,0,0]=3 996 B9R0.7 N[C@@H](CCC(=O)[O-])C(=O)O MCULE-4367391999 [1,0,0,0,0,1|1,0,0]=3 997 B9R0.7 N[C@H](CCC(=O)O)C(=O)O MCULE-5884691541 [1,0,0,0,0,1|1,0,0]=3 998 B9R0.7 N[C@H](CCC(=O)O)C(=O)O MCULE-6647836957 [1,0,0,0,0,1|1,0,0]=3 999 B9R0.7 O=C(O)CCC(Cl)C(=O)O MCULE-8696439839 [1,0,0,0,0,1|2,0,0]=4 1000 B9R0.7 O=C(O)CCC(O)C(=O)O MCULE-5732806069 [1,0,0,0,0,1|1,0,0]=3 1001 B9R0.7 O=C(O)CC[C@@H](O)C(=O)O MCULE-2990674754 [1,0,0,0,0,1|1,0,0]=3 1002 B9R0.7 O=C(O)CC[C@@H](O)C(=O)O MCULE-9463608806 [1,0,0,0,0,1|1,0,0]=3 1003 B9R0.7 O=C(O)CC[C@H](Br)C(=O)O MCULE-3541564241 [1,0,0,0,0,1|2,0,0]=4 1004 B9R0.7 O=C(O)CC[C@H](Br)C(=O)O MCULE-5484001209 [1,0,0,0,0,1|2,0,0]=4 1005 B9R0.7 O=C(O)CC[C@H](Cl)C(=O)O MCULE-4338578978 [1,0,0,0,0,1|2,0,0]=4 1006 B9R0.7 O=C(O)CC[C@H](O)C(=O)O MCULE-4494756126 [1,0,0,0,0,1|1,0,0]=3 1007 B9R0.7 O=C([O-])CCC(O)C(=O)[O-] MCULE-1880842258 [1,0,0,0,0,1|1,0,1]=4 1008 B9R0.7 O=C([O-])CCC(O)C(=O)[O-] MCULE-4254561979 [1,0,0,0,0,1|1,0,1]=4 1009 B9R0.7 O=C([O-])CCC(O)C(=O)[O-] MCULE-4348197971 [1,0,0,0,0,1|1,0,1]=4 1010 B9R0.7 O=C([O-])CC[C@@H](O)C(=O)[O-] MCULE-2376048296 [1,0,0,0,0,1|1,0,1]=4 1011 B9R0.7 O=C([O-])CC[C@@H](O)C(=O)[O-] MCULE-3046517186 [1,0,0,0,0,1|1,0,1]=4 1012 B9R0.7 O=C([O-])CC[C@H](O)C(=O)[O-] MCULE-2350068178 [1,0,0,0,0,1|1,0,1]=4 1013 B9R0.7 O=C([O-])CC[C@H](O)C(=O)[O-] MCULE-8971415546 [1,0,0,0,0,1|1,0,1]=4 1014 B9R0.7 P(=O)(O)CC[C@H](N)C(=O)O MCULE-2875179933 [1,0,0,0,0,1|2,0,0]=4 1015 B9R0.7 [C@H](N)(CCC(=O)O)C(=O)N MCULE-1881473683 [1,0,0,0,0,1|1,0,0]=3 1016 B9R0.7 [C@H](N)(CCC(=O)O)C(=O)O MCULE-8526087521 [1,0,0,0,0,1|1,0,0]=3 1017 B9R0.7 [C@H](N)(CCS(=O)C)C(=O)O MCULE-2995684872 [1,0,0,0,0,1|2,0,0]=4 1018 B9R0.7 [C@H](O)(CCC(=O)O)C(=O)O MCULE-8564542509 [1,0,0,0,0,1|1,0,0]=3 1019 B9R0.53 CC(=O)NC(C)CC(=O)O MCULE-8603148812 [1,0,0,0,0,1|2,0,0]=4 1020 B9R0.53 CC(CC(=O)N)CC(=O)N MCULE-8411499627 [1,0,0,0,0,1|2,0,0]=4 1021 B9R0.53 CC(CC(=O)O)CC(=O)O MCULE-7399673381 [1,0,0,0,0,1|2,0,0]=4 1022 B9R0.53 CC(CC(=O)O)NC(=O)N MCULE-2917505998 [1,0,0,0,0,1|1,0,0]=3 1023 B9R0.53 NC(CC(=O)O)CC(=O)O MCULE-4205352281 [1,0,0,0,0,1|1,0,0]=3 1024 B9R0.53 NC(CC(=O)O)CC(=O)O MCULE-5754399431 [1,0,0,0,0,1|1,0,0]=3 1025 B9R0.53 NN(CC(=O)O)CC(=O)O MCULE-6707699178 [1,0,0,0,0,1|2,0,0]=4 1026 B9R0.53 O=C(O)CC(O)CC(=O)O MCULE-7670149511 [1,0,0,0,0,1|1,0,0]=3 1027 B11R0.149 NC(CC(=O)O)C(N)CC(=O)O MCULE-8617510469 [0,0,0,0,0,2|2,0,0]=4 1028 B11R0.150 NC(CCC(N)C(=O)O)C(=O)O MCULE-3879325501 [0,0,0,0,0,2|2,0,0]=4 1029 B11R0.150 NC(CCC(N)C(=O)O)C(=O)O MCULE-8835673266 [0,0,0,0,0,2|2,0,0]=4 1030 B11R0.150 N[C@@H](CC[C@@H](N)C(=O)O)C(=O)O MCULE-1244462847 [0,0,0,0,0,2|2,0,0]=4 1031 B11R0.150 N[C@@H](CC[C@@H](N)C(=O)O)C(=O)O MCULE-1836756247 [0,0,0,0,0,2|2,0,0]=4 1032 B11R0.150 N[C@@H](CC[C@H](N)C(=O)O)C(=O)O MCULE-5252239426 [0,0,0,0,0,2|2,0,0]=4 1033 B11R0.150 N[C@@H](CC[C@H](N)C(=O)O)C(=O)O MCULE-7091962514 [0,0,0,0,0,2|2,0,0]=4 1034 B11R0.150 N[C@H](CC[C@@H](N)C(=O)O)C(=O)O MCULE-7748162622 [0,0,0,0,0,2|2,0,0]=4 1035 B11R0.150 O=C(O)C(O)SSC(O)C(=O)O MCULE-1628840134 [0,0,0,0,0,2|2,0,0]=4