0 B9R0.53 C/C(=C\C(=O)O)/CC(=O)O MCULE-1345660635 [0,0,0,0,0,0|1,0,2]=3 1 B9R0.53 CC(=CC(=O)O)CC(=O)O MCULE-8165055939 [0,0,0,0,0,0|1,0,2]=3 2 B9R0.53 CC(=O)NC(C)CC(=O)O MCULE-8603148812 [0,0,0,0,0,0|3,0,0]=3 3 B9R0.53 CC(C)CC(C)CC(=O)O MCULE-6189870651 [0,0,0,0,0,0|3,0,1]=4 4 B9R0.53 CC(C)CC(N)CC(=O)O MCULE-3491123553 [0,0,0,0,0,0|3,0,1]=4 5 B9R0.53 CC(C)CC(N)CC(=O)O MCULE-4917004131 [0,0,0,0,0,0|3,0,1]=4 6 B9R0.53 CC(C)CC(N)CC(=O)O MCULE-9751191377 [0,0,0,0,0,0|3,0,1]=4 7 B9R0.53 CC(C)CC(O)CC(=O)O MCULE-2536433460 [0,0,0,0,0,0|2,0,1]=3 8 B9R0.53 CC(C)C[C@@H](N)CC(=O)O MCULE-1906257031 [0,0,0,0,0,0|3,0,1]=4 9 B9R0.53 CC(C)C[C@@H](N)CC(=O)O MCULE-5676550364 [0,0,0,0,0,0|3,0,1]=4 10 B9R0.53 CC(C)C[C@@H](N)CC(=O)O MCULE-8752852377 [0,0,0,0,0,0|3,0,1]=4 11 B9R0.53 CC(C)C[C@@H](N)CC(=O)O MCULE-9926372034 [0,0,0,0,0,0|3,0,1]=4 12 B9R0.53 CC(C)C[C@H](N)CC(=O)O MCULE-5502640895 [0,0,0,0,0,0|3,0,1]=4 13 B9R0.53 CC(C)C[C@H](N)CC(=O)O MCULE-5602246196 [0,0,0,0,0,0|3,0,1]=4 14 B9R0.53 CC(C)C[C@H](N)CC(=O)O MCULE-6522397846 [0,0,0,0,0,0|3,0,1]=4 15 B9R0.53 CC(C)C[C@H](N)CC(=O)O MCULE-8594791252 [0,0,0,0,0,0|3,0,1]=4 16 B9R0.53 CC(CC(=O)N)CC(=O)N MCULE-8411499627 [0,0,0,0,0,0|3,0,0]=3 17 B9R0.53 CC(CC(=O)O)CC(=O)O MCULE-7399673381 [0,0,0,0,0,0|1,0,0]=1 18 B9R0.53 CC(CC(=O)O)NC(=O)N MCULE-2917505998 [0,0,0,0,0,0|3,0,0]=3 19 B9R0.53 CN(C)CC(O)CC(=O)O MCULE-7052117725 [0,0,0,0,0,0|3,0,0]=3 20 B9R0.53 CN(CC(=O)O)CC(=O)O MCULE-6535937676 [0,0,0,0,0,0|2,0,0]=2 21 B9R0.53 CN(CC(=O)O)CC(=O)O MCULE-9119313390 [0,0,0,0,0,0|2,0,0]=2 22 B9R0.53 NC(CC(=O)O)CC(=O)O MCULE-4205352281 [0,0,0,0,0,0|1,0,0]=1 23 B9R0.53 NC(CC(=O)O)CC(=O)O MCULE-5754399431 [0,0,0,0,0,0|1,0,0]=1 24 B9R0.53 NN(CC(=O)O)CC(=O)O MCULE-6707699178 [0,0,0,0,0,0|2,0,0]=2 25 B9R0.53 O=C(O)C=C(Cl)CC(=O)O MCULE-4643738898 [0,0,0,0,0,0|1,0,2]=3 26 B9R0.53 O=C(O)CC(=O)CC(=O)O MCULE-7760127170 [0,0,0,0,0,0|0,0,2]=2 27 B9R0.53 O=C(O)CC(O)CC(=O)O MCULE-7670149511 [0,0,0,0,0,0|0,0,0]=0 28 B9R0.53 O=C(O)CS(=O)CC(=O)O MCULE-8117628584 [0,0,0,0,0,0|1,0,1]=2 29 B8R0.5 C#CCC(N)CC(=O)O MCULE-2010410671 [1,0,0,0,0,0|2,0,1]=4 30 B8R0.5 C#CCC(N)CC(=O)O MCULE-9655976746 [1,0,0,0,0,0|2,0,1]=4 31 B8R0.5 C#CC[C@@H](N)CC(=O)O MCULE-1849013560 [1,0,0,0,0,0|2,0,1]=4 32 B8R0.5 C#CC[C@@H](N)CC(=O)O MCULE-5050240935 [1,0,0,0,0,0|2,0,1]=4 33 B8R0.5 C#CC[C@@H](N)CC(=O)O MCULE-7394019004 [1,0,0,0,0,0|2,0,1]=4 34 B8R0.5 C#CC[C@@H](N)CC(=O)O MCULE-8376747540 [1,0,0,0,0,0|2,0,1]=4 35 B8R0.5 C#CC[C@H](N)CC(=O)O MCULE-1446527937 [1,0,0,0,0,0|2,0,1]=4 36 B8R0.5 C#CC[C@H](N)CC(=O)O MCULE-4559086818 [1,0,0,0,0,0|2,0,1]=4 37 B8R0.5 C#CC[C@H](N)CC(=O)O MCULE-5154381271 [1,0,0,0,0,0|2,0,1]=4 38 B8R0.5 C#CC[C@H](N)CC(=O)O MCULE-9666448400 [1,0,0,0,0,0|2,0,1]=4 39 B8R0.5 C/C=C/C(O)CC(=O)O MCULE-3416519692 [1,0,0,0,0,0|1,0,1]=3 40 B8R0.5 C=CCC(N)CC(=O)O MCULE-1468461223 [1,0,0,0,0,0|2,0,0]=3 41 B8R0.5 C=CCC(N)CC(=O)O MCULE-3288937491 [1,0,0,0,0,0|2,0,0]=3 42 B8R0.5 C=CCC(N)CC(=O)O MCULE-4022730599 [1,0,0,0,0,0|2,0,0]=3 43 B8R0.5 C=CCC(N)CC(=O)O MCULE-5843795649 [1,0,0,0,0,0|2,0,0]=3 44 B8R0.5 C=CC[C@@H](N)CC(=O)O MCULE-4754294062 [1,0,0,0,0,0|2,0,0]=3 45 B8R0.5 C=CC[C@@H](N)CC(=O)O MCULE-7831408077 [1,0,0,0,0,0|2,0,0]=3 46 B8R0.5 C=CC[C@@H](N)CC(=O)O MCULE-8503288377 [1,0,0,0,0,0|2,0,0]=3 47 B8R0.5 C=CC[C@@H](N)CC(=O)O MCULE-9398972010 [1,0,0,0,0,0|2,0,0]=3 48 B8R0.5 C=CC[C@H](N)CC(=O)O MCULE-1784444892 [1,0,0,0,0,0|2,0,0]=3 49 B8R0.5 C=CC[C@H](N)CC(=O)O MCULE-3247296447 [1,0,0,0,0,0|2,0,0]=3 50 B8R0.5 C=CC[C@H](N)CC(=O)O MCULE-5484030094 [1,0,0,0,0,0|2,0,0]=3 51 B8R0.5 C=CC[C@H](N)CC(=O)O MCULE-8982980423 [1,0,0,0,0,0|2,0,0]=3 52 B8R0.5 CC(O)CC(O)CCO MCULE-4888514297 [1,0,0,0,0,0|1,0,2]=4 53 B8R0.5 CC=CC(O)CC(=O)O MCULE-9449456878 [1,0,0,0,0,0|1,0,1]=3 54 B8R0.5 CCCC(C)CC(=O)O MCULE-6002154473 [1,0,0,0,0,0|2,0,1]=4 55 B8R0.5 CCCC(N)CC(=O)O MCULE-1356349547 [1,0,0,0,0,0|2,0,1]=4 56 B8R0.5 CCCC(N)CC(=O)O MCULE-4946770886 [1,0,0,0,0,0|2,0,1]=4 57 B8R0.5 CCCC(N)CC(=O)O MCULE-5502250330 [1,0,0,0,0,0|2,0,1]=4 58 B8R0.5 CCCC(N)CC(=O)O MCULE-9959180111 [1,0,0,0,0,0|2,0,1]=4 59 B8R0.5 CCCC(O)CC(=O)O MCULE-3158579605 [1,0,0,0,0,0|1,0,1]=3 60 B8R0.5 CCC[C@@H](N)CC(=O)O MCULE-9961668094 [1,0,0,0,0,0|2,0,1]=4 61 B8R0.5 CCC[C@H](N)CC(=O)O MCULE-1726586898 [1,0,0,0,0,0|2,0,1]=4 62 B8R0.5 CCC[C@H](N)CC(=O)O MCULE-5359238908 [1,0,0,0,0,0|2,0,1]=4 63 B8R0.5 CCC[C@H](N)CC(=O)O MCULE-5593873511 [1,0,0,0,0,0|2,0,1]=4 64 B8R0.5 CCC[C@H](N)CC(=O)O MCULE-7588873691 [1,0,0,0,0,0|2,0,1]=4 65 B8R0.5 CN(CCO)CC(=O)O MCULE-9266824629 [1,0,0,0,0,0|2,0,1]=4 66 B8R0.5 CNCC(O)CC(=O)O MCULE-4502865855 [1,0,0,0,0,0|2,0,0]=3 67 B8R0.5 CNCC(O)CC(=O)O MCULE-5628718703 [1,0,0,0,0,0|2,0,0]=3 68 B8R0.5 COCC(C)CC(=O)O MCULE-7551495663 [1,0,0,0,0,0|3,0,0]=4 69 B8R0.5 NCCC(O)CC(=O)O MCULE-3095949832 [1,0,0,0,0,0|1,0,1]=3 70 B8R0.5 NCCC(O)CC(=O)O MCULE-8864780829 [1,0,0,0,0,0|1,0,1]=3 71 B8R0.28 C=C(Br)CCCC(=O)O MCULE-5394609034 [1,0,0,0,0,0|2,0,0]=3 72 B8R0.28 C=C(C)CCCC(=O)O MCULE-1282031449 [1,0,0,0,0,0|2,0,0]=3 73 B8R0.28 C=C(Cl)CCCC(=O)O MCULE-9525654231 [1,0,0,0,0,0|2,0,0]=3 74 B8R0.28 CC(=CCCC(=O)O)C MCULE-5848388333 [1,0,0,0,0,0|2,0,1]=4 75 B8R0.28 CC(=O)CC=CC(=O)O MCULE-9526483708 [1,0,0,0,0,0|1,0,2]=4 76 B8R0.28 CC(=O)CCCC(=O)C MCULE-9250637004 [1,0,0,0,0,0|2,0,0]=3 77 B8R0.28 CC(=O)CCCC(=O)N MCULE-8753142022 [1,0,0,0,0,0|2,0,0]=3 78 B8R0.28 CC(=O)CCCC(=O)O MCULE-2498129200 [1,0,0,0,0,0|1,0,0]=2 79 B8R0.28 CC(=O)CCOC(=O)C MCULE-5123903575 [1,0,0,0,0,0|3,0,0]=4 80 B8R0.28 CC(=O)COCC(=O)C MCULE-1945925794 [1,0,0,0,0,0|3,0,0]=4 81 B8R0.28 CC(=O)NCCC(=O)N MCULE-6090839432 [1,0,0,0,0,0|3,0,0]=4 82 B8R0.28 CC(=O)NCCC(=O)O MCULE-8867286578 [1,0,0,0,0,0|2,0,0]=3 83 B8R0.28 CC(=O)OCCC(=O)O MCULE-6617841906 [1,0,0,0,0,0|2,0,0]=3 84 B8R0.28 CC(=O)SCCC(=O)Cl MCULE-7772328654 [1,0,0,0,0,0|3,0,0]=4 85 B8R0.28 CC(=O)SCCC(=O)O MCULE-2263963171 [1,0,0,0,0,0|2,0,0]=3 86 B8R0.28 CC(C)CCCC(=O)O MCULE-3645348479 [1,0,0,0,0,0|2,0,1]=4 87 B8R0.28 CC(O)CCCC(=O)O MCULE-6696855762 [1,0,0,0,0,0|1,0,1]=3 88 B8R0.28 CC(O)CCCC(=O)[O-] MCULE-7722587632 [1,0,0,0,0,0|1,0,2]=4 89 B8R0.28 CN(C)CCCC(=O)O MCULE-5562283434 [1,0,0,0,0,0|3,0,0]=4 90 B8R0.28 CN(C)CCCC(=O)O MCULE-5657963851 [1,0,0,0,0,0|3,0,0]=4 91 B8R0.28 N=C(N)NCCC(=O)O MCULE-6783592689 [1,0,0,0,0,0|3,0,0]=4 92 B8R0.28 N=C(N)SCCC(=O)O MCULE-6820090813 [1,0,0,0,0,0|3,0,0]=4 93 B8R0.28 N=C(N)SCCC(=O)O MCULE-9820250060 [1,0,0,0,0,0|3,0,0]=4 94 B8R0.28 N=C(S)NCCC(=O)O MCULE-7149670288 [1,0,0,0,0,0|2,1,0]=4 95 B8R0.28 NC(=O)CCCC(=O)N MCULE-8380308624 [1,0,0,0,0,0|2,0,0]=3 96 B8R0.28 NC(=O)CCCC(=O)O MCULE-9714346244 [1,0,0,0,0,0|1,0,0]=2 97 B8R0.28 NC(=O)CCCN(=O)=O MCULE-8220881093 [1,0,0,0,0,0|2,0,1]=4 98 B8R0.28 NC(=O)CNCC(=O)N MCULE-7451569201 [1,0,0,0,0,0|3,0,0]=4 99 B8R0.28 NC(=O)CNCC(=O)O MCULE-2816922286 [1,0,0,0,0,0|2,0,0]=3 100 B8R0.28 NC(=O)COCC(=O)O MCULE-3868584388 [1,0,0,0,0,0|2,0,0]=3 101 B8R0.28 NC(=O)CSCC(=O)N MCULE-1673116541 [1,0,0,0,0,0|3,0,0]=4 102 B8R0.28 NC(=O)CSCC(=O)O MCULE-1419621262 [1,0,0,0,0,0|2,0,0]=3 103 B8R0.28 NC(=O)NCCC(=O)O MCULE-3799706782 [1,0,0,0,0,0|2,0,0]=3 104 B8R0.28 NC(=S)SCCC(=O)O MCULE-1371836153 [1,0,0,0,0,0|2,1,0]=4 105 B8R0.28 O=C(Cl)CCCC(=O)Cl MCULE-6157663188 [1,0,0,0,0,0|2,0,0]=3 106 B8R0.28 O=C(Cl)COCC(=O)Cl MCULE-4828514058 [1,0,0,0,0,0|3,0,0]=4 107 B8R0.28 O=C(O)/C=C/CC(=O)O MCULE-3754065542 [1,0,0,0,0,0|0,0,2]=3 108 B8R0.28 O=C(O)C=CCC(=O)O MCULE-2034660220 [1,0,0,0,0,0|0,0,2]=3 109 B8R0.28 O=C(O)CCCC(=O)O MCULE-4286022994 [1,0,0,0,0,0|0,0,0]=1 110 B8R0.28 O=C(O)CCCC(F)F MCULE-1906281877 [1,0,0,0,0,0|2,0,1]=4 111 B8R0.28 O=C(O)CCCN(=O)=O MCULE-2601801792 [1,0,0,0,0,0|1,0,1]=3 112 B8R0.28 O=C(O)CNCC(=O)O MCULE-4131542591 [1,0,0,0,0,0|1,0,0]=2 113 B8R0.28 O=C(O)COCC(=O)O MCULE-5687758679 [1,0,0,0,0,0|1,0,0]=2 114 B8R0.28 O=C(O)CSCC(=O)O MCULE-8112166808 [1,0,0,0,0,0|1,0,0]=2 115 B8R0.28 O=C([O-])CCCC(=O)[O-] MCULE-3809476672 [1,0,0,0,0,0|0,0,2]=3 116 B8R0.28 O=C([O-])CNCC(=O)[O-] MCULE-1067264838 [1,0,0,0,0,0|1,0,2]=4 117 B8R0.28 O=C([O-])COCC(=O)O MCULE-3773620396 [1,0,0,0,0,0|1,0,1]=3 118 B8R0.28 O=C([O-])COCC(=O)O MCULE-5768077440 [1,0,0,0,0,0|1,0,1]=3 119 B8R0.28 OC(=S)COCC(=S)O MCULE-1054878793 [1,0,0,0,0,0|1,2,0]=4 120 B8R0.28 [NH2+](CC(=O)N)CC(=O)N MCULE-7548046822 [1,0,0,0,0,0|3,0,0]=4 121 B10R0.13 CC(=O)C(C)C(C)CC(=O)O MCULE-2467523561 [0,1,0,0,0,0|2,0,0]=3 122 B10R0.13 CC(=O)OC(C)C(N)C(=O)O MCULE-2960070749 [0,1,0,0,0,0|3,0,0]=4 123 B10R0.13 CC(=O)OC(C)C(N)C(=O)O MCULE-7223559986 [0,1,0,0,0,0|3,0,0]=4 124 B10R0.13 CC(=O)O[C@H](C)[C@H](N)C(=O)O MCULE-3196057448 [0,1,0,0,0,0|3,0,0]=4 125 B10R0.13 CC(=O)O[C@H](C)[C@H](N)C(=O)O MCULE-4987228190 [0,1,0,0,0,0|3,0,0]=4 126 B10R0.13 CC(=O)O[C@H](C)[C@H](N)C(=O)O MCULE-8785750681 [0,1,0,0,0,0|3,0,0]=4 127 B10R0.13 CC(=O)O[C@H](C)[C@H](N)C(=O)O MCULE-9094583167 [0,1,0,0,0,0|3,0,0]=4 128 B10R0.13 CN(CC(=O)O)C(=O)C(=O)O MCULE-2539412176 [0,1,0,0,0,0|2,0,1]=4 129 B10R0.13 C[C@@H](CC(=O)O)[C@@H](N)C(=O)O MCULE-3332620674 [0,1,0,0,0,0|1,0,0]=2 130 B10R0.13 C[C@@H](CC(=O)O)[C@H](N)C(=O)O MCULE-1191810017 [0,1,0,0,0,0|1,0,0]=2 131 B10R0.13 C[C@H](CC(=O)O)[C@@H](N)C(=O)O MCULE-6898866017 [0,1,0,0,0,0|1,0,0]=2 132 B10R0.13 C[C@H](CC(=O)O)[C@H](N)C(=O)O MCULE-5584040869 [0,1,0,0,0,0|1,0,0]=2 133 B10R0.13 N[C@@H](C(=O)O)[C@H](O)CC(=O)O MCULE-6540374220 [0,1,0,0,0,0|0,0,0]=1 134 B10R0.13 N[C@H](C(=O)O)[C@@H](F)CC(=O)O MCULE-4546449636 [0,1,0,0,0,0|1,0,0]=2 135 B10R0.13 O=C(O)CC(O)C(O)C(=O)[O-] MCULE-4149978058 [0,1,0,0,0,0|0,0,1]=2 136 B10R0.13 O=C(O)CC(O)C(O)C(=O)[O-] MCULE-8718049660 [0,1,0,0,0,0|0,0,1]=2 137 B10R0.31 C(O)(CC(=O)O)C[N+](C)(C)C MCULE-1943868159 [0,1,0,0,0,0|3,0,0]=4 138 B10R0.31 CC(C)(C)CC(O)CC(=O)O MCULE-2681590744 [0,1,0,0,0,0|2,0,1]=4 139 B10R0.31 C[N+](C)(C)CC(O)CC(=O)O MCULE-9799777407 [0,1,0,0,0,0|3,0,0]=4 140 B10R0.31 C[N+](C)(C)C[C@@H](O)CC(=O)O MCULE-6301932098 [0,1,0,0,0,0|3,0,0]=4 141 B10R0.31 C[N+](C)(C)C[C@@H](O)CC(=O)O MCULE-6758278502 [0,1,0,0,0,0|3,0,0]=4 142 B10R0.31 C[N+](C)(C)C[C@H](O)CC(=O)O MCULE-4113750610 [0,1,0,0,0,0|3,0,0]=4 143 B10R0.31 C[N+](C)(C)C[C@H](O)CC(=O)O MCULE-4318855847 [0,1,0,0,0,0|3,0,0]=4 144 B10R0.31 C[N+](C)(C)C[C@H](O)CC(=O)O MCULE-5320163057 [0,1,0,0,0,0|3,0,0]=4 145 B10R0.31 C[N+](C)(C)C[C@H](O)CC(=O)O MCULE-6774081051 [0,1,0,0,0,0|3,0,0]=4 146 B10R0.31 C[N+](C)(C)C[C@H](O)CC(=O)O MCULE-7974436035 [0,1,0,0,0,0|3,0,0]=4 147 B10R0.31 C[N+](C)(C)C[C@H](O)CC(=O)O MCULE-8897088367 [0,1,0,0,0,0|3,0,0]=4 148 B10R0.44 COC(=O)CC(=O)CC(=O)C MCULE-5860600017 [0,1,0,0,0,0|1,0,2]=4 149 B10R0.44 COC(=O)CC(C)CC(=O)O MCULE-2040975724 [0,1,0,0,0,0|1,0,0]=2 150 B10R0.44 COC(=O)CC(C)CC(=O)O MCULE-8664626816 [0,1,0,0,0,0|1,0,0]=2 151 B10R0.44 COC(=O)CC(C)CN(=O)=O MCULE-4396470018 [0,1,0,0,0,0|2,0,1]=4 152 B10R0.44 COC(=O)C[C@H](C)CC(=O)O MCULE-3674114279 [0,1,0,0,0,0|1,0,0]=2 153 B10R0.44 COC(=O)C[C@H](C)CC(=O)O MCULE-7834226828 [0,1,0,0,0,0|1,0,0]=2 154 B10R0.70 CC(=O)O[C@H](CBr)CC(=O)O MCULE-9706634607 [0,1,0,0,0,0|3,0,0]=4 155 B10R0.165 CC(=O)CC(C)(C)CC(=O)O MCULE-4874610800 [0,1,0,0,0,0|2,0,0]=3 156 B10R0.165 CC(C)(CC(=O)O)CC(=O)O MCULE-3688310273 [0,1,0,0,0,0|1,0,0]=2 157 B10R0.165 CC(C)(CC(=O)O)CN(=O)=O MCULE-7824488926 [0,1,0,0,0,0|2,0,1]=4 158 B10R0.165 CC(O)(CC(=O)O)CC(=O)O MCULE-9846508304 [0,1,0,0,0,0|0,0,0]=1 159 B10R0.165 O=C(O)CC(F)(F)CC(=O)O MCULE-1340481205 [0,1,0,0,0,0|1,0,0]=2 160 B10R0.165 O=C(O)CS(=O)(=O)CC(=O)O MCULE-1359587275 [0,1,0,0,0,0|1,0,1]=3 161 B10R1.54 O=C(O)CC1CC(CN1)O MCULE-7161298106 [0,0,0,1,0,0|2,0,1]=4 162 B10R1.54 O=C(O)CC1CC(CN1)O MCULE-8476180516 [0,0,0,1,0,0|2,0,1]=4 163 B10R1.54 O=C(O)CC1CCC(=O)C1 MCULE-8065311815 [0,0,0,1,0,0|2,0,0]=3 164 B10R1.54 O=C(O)CC1CCC(=O)N1 MCULE-4378271581 [0,0,0,1,0,0|3,0,0]=4 165 B10R1.54 O=C(O)CC1CCC(=O)O1 MCULE-3722776234 [0,0,0,1,0,0|3,0,0]=4 166 B10R1.54 O=C(O)CC1CCC(C1)O MCULE-1306554926 [0,0,0,1,0,0|2,0,1]=4 167 B10R1.54 O=C(O)CC1CNC(=O)C1 MCULE-1228415378 [0,0,0,1,0,0|2,0,0]=3 168 B10R1.54 O=C(O)CC1COC(=O)C1 MCULE-9024324984 [0,0,0,1,0,0|1,0,0]=2 169 B10R1.54 O=C(O)CN1CCC(=O)C1 MCULE-1558139461 [0,0,0,1,0,0|3,0,0]=4 170 B10R1.54 O=C(O)CN1CCC(=O)C1 MCULE-6202445610 [0,0,0,1,0,0|3,0,0]=4 171 B10R1.54 O=C(O)C[C@@H]1CC(CN1)O MCULE-5520496479 [0,0,0,1,0,0|2,0,1]=4 172 B10R1.54 O=C(O)C[C@@H]1CC(CN1)O MCULE-9606256613 [0,0,0,1,0,0|2,0,1]=4 173 B10R1.54 O=C(O)C[C@@H]1CCC(=O)N1 MCULE-2294433482 [0,0,0,1,0,0|3,0,0]=4 174 B10R1.54 O=C(O)C[C@@H]1CCC(=O)N1 MCULE-6637712682 [0,0,0,1,0,0|3,0,0]=4 175 B10R1.54 O=C(O)C[C@@H]1CC[C@@H](C1)O MCULE-2394601749 [0,0,0,1,0,0|2,0,1]=4 176 B10R1.54 O=C(O)C[C@@H]1C[C@H](CN1)O MCULE-1516021519 [0,0,0,1,0,0|2,0,1]=4 177 B10R1.54 O=C(O)C[C@@H]1C[C@H](CN1)O MCULE-4246846585 [0,0,0,1,0,0|2,0,1]=4 178 B10R1.54 O=C(O)C[C@@H]1C[C@H](CN1)O MCULE-5090681884 [0,0,0,1,0,0|2,0,1]=4 179 B10R1.54 O=C(O)C[C@@H]1C[C@H](CN1)O MCULE-6554402545 [0,0,0,1,0,0|2,0,1]=4 180 B10R1.54 O=C(O)C[C@@H]1C[C@H](CN1)O MCULE-8720083389 [0,0,0,1,0,0|2,0,1]=4 181 B10R1.54 O=C(O)C[C@@H]1C[C@H](CN1)O MCULE-9359661762 [0,0,0,1,0,0|2,0,1]=4 182 B10R1.54 O=C(O)C[C@H]1CCC(=O)C1 MCULE-1700675888 [0,0,0,1,0,0|2,0,0]=3 183 B10R1.54 O=C(O)C[C@H]1CCC(=O)C1 MCULE-3179723751 [0,0,0,1,0,0|2,0,0]=3 184 B10R1.54 O=C(O)C[C@H]1CCC(=O)N1 MCULE-1080082151 [0,0,0,1,0,0|3,0,0]=4 185 B10R1.54 O=C(O)C[C@H]1CCC(=O)N1 MCULE-2947978966 [0,0,0,1,0,0|3,0,0]=4 186 B10R1.54 O=C(O)C[C@H]1COC(=O)N1 MCULE-1807368276 [0,0,0,1,0,0|2,0,0]=3 187 B10R1.59 C=C1C[C@@H]([C@@H](C1)C(=O)O)N MCULE-9822470688 [0,0,0,1,0,0|3,0,0]=4 188 B10R1.59 CC1CC(=O)NC1C(=O)O MCULE-1142843058 [0,0,0,1,0,0|2,0,0]=3 189 B10R1.59 CC1CC(C(O1)C(=O)O)C MCULE-6609295709 [0,0,0,1,0,0|2,0,1]=4 190 B10R1.59 CC1NC(=O)CC1C(=O)O MCULE-1109266882 [0,0,0,1,0,0|3,0,0]=4 191 B10R1.59 CC1OC(=O)NC1C(=O)O MCULE-7595794618 [0,0,0,1,0,0|3,0,0]=4 192 B10R1.59 C[C@@H]1CC(=O)N[C@@H]1C(=O)O MCULE-5687745727 [0,0,0,1,0,0|2,0,0]=3 193 B10R1.59 C[C@@H]1CC(=O)N[C@H]1C(=O)O MCULE-3978079245 [0,0,0,1,0,0|2,0,0]=3 194 B10R1.59 C[C@H]1CC(=O)N[C@@H]1C(=O)O MCULE-1352855018 [0,0,0,1,0,0|2,0,0]=3 195 B10R1.59 C[C@H]1CC(=O)N[C@H]1C(=O)O MCULE-6205979547 [0,0,0,1,0,0|2,0,0]=3 196 B10R1.282 C=C1C(C1C(=O)O)C(=O)O MCULE-8215023904 [0,0,0,1,0,0|1,0,1]=3 197 B10R1.282 C=C1[C@@H]([C@H]1C(=O)O)C(=O)O MCULE-9621561536 [0,0,0,1,0,0|1,0,1]=3 198 B10R1.282 C=C1[C@H]([C@@H]1C(=O)O)C(=O)O MCULE-3101001045 [0,0,0,1,0,0|1,0,1]=3 199 B10R1.282 CC1C(C1C(=O)O)C(=O)O MCULE-6282240195 [0,0,0,1,0,0|1,0,0]=2 200 B10R1.371 O=C(O)CC1CS(=O)(=O)C1 MCULE-1664877962 [0,0,0,1,0,0|2,0,1]=4 201 B8R0.23 C(=C(Br)C(=O)O)C(=O)O MCULE-1343964958 [0,0,0,0,1,0|1,0,2]=4 202 B8R0.23 C(N)(CS(=O)C)C(=O)O MCULE-3320985154 [0,0,0,0,1,0|3,0,0]=4 203 B8R0.23 C/C(=C/C(=O)O)/C(=O)O MCULE-9648210920 [0,0,0,0,1,0|1,0,2]=4 204 B8R0.23 C/C(=C\C(=O)O)/C(=O)O MCULE-1060050416 [0,0,0,0,1,0|1,0,2]=4 205 B8R0.23 C=C(Br)CC(N)C(=O)O MCULE-2311003313 [0,0,0,0,1,0|3,0,0]=4 206 B8R0.23 C=C(Br)C[C@@H](N)C(=O)O MCULE-2061865879 [0,0,0,0,1,0|3,0,0]=4 207 B8R0.23 C=C(Br)C[C@@H](N)C(=O)O MCULE-6617690939 [0,0,0,0,1,0|3,0,0]=4 208 B8R0.23 C=C(Br)C[C@H](N)C(=O)O MCULE-2602336550 [0,0,0,0,1,0|3,0,0]=4 209 B8R0.23 C=C(Br)C[C@H](N)C(=O)O MCULE-9274484893 [0,0,0,0,1,0|3,0,0]=4 210 B8R0.23 C=C(C)C(N)CC(=O)O MCULE-5527747045 [0,0,0,0,1,0|3,0,0]=4 211 B8R0.23 C=C(C)CC(C)C(=O)O MCULE-7268483710 [0,0,0,0,1,0|3,0,0]=4 212 B8R0.23 C=C(C)CC(N)C(=O)O MCULE-5915882776 [0,0,0,0,1,0|3,0,0]=4 213 B8R0.23 C=C(C)C[C@@H](N)C(=O)O MCULE-2841714882 [0,0,0,0,1,0|3,0,0]=4 214 B8R0.23 C=C(C)C[C@H](C)C(=O)O MCULE-9053114079 [0,0,0,0,1,0|3,0,0]=4 215 B8R0.23 C=C(C)C[C@H](N)C(=O)O MCULE-1029058491 [0,0,0,0,1,0|3,0,0]=4 216 B8R0.23 C=C(C)C[C@H](N)C(=O)O MCULE-6974720260 [0,0,0,0,1,0|3,0,0]=4 217 B8R0.23 C=C(C)[C@@H](O)CC(=O)O MCULE-9399932923 [0,0,0,0,1,0|2,0,0]=3 218 B8R0.23 C=C(CC(=O)O)C(=O)O MCULE-5221256796 [0,0,0,0,1,0|1,0,1]=3 219 B8R0.23 C=C(Cl)CC(N)C(=O)O MCULE-3498417929 [0,0,0,0,1,0|3,0,0]=4 220 B8R0.23 C=C(Cl)CC(N)C(=O)O MCULE-7451890779 [0,0,0,0,1,0|3,0,0]=4 221 B8R0.23 CC(=CC(=O)O)C(=O)O MCULE-9291663033 [0,0,0,0,1,0|1,0,2]=4 222 B8R0.23 CC(=O)C(C)CC(=O)O MCULE-9095166615 [0,0,0,0,1,0|2,0,0]=3 223 B8R0.23 CC(=O)C(N)CC(=O)O MCULE-7043175556 [0,0,0,0,1,0|2,0,0]=3 224 B8R0.23 CC(=O)CC(C)C(=O)O MCULE-4640477792 [0,0,0,0,1,0|2,0,0]=3 225 B8R0.23 CC(=O)CC(N)C(=O)O MCULE-6275652695 [0,0,0,0,1,0|2,0,0]=3 226 B8R0.23 CC(=O)CC(N)C(=O)O MCULE-6690241894 [0,0,0,0,1,0|2,0,0]=3 227 B8R0.23 CC(=O)CC(O)C(=O)C MCULE-3447949844 [0,0,0,0,1,0|2,0,0]=3 228 B8R0.23 CC(=O)CC(O)C(=O)O MCULE-4728629069 [0,0,0,0,1,0|1,0,0]=2 229 B8R0.23 CC(=O)N(C)CC(=O)O MCULE-1037482941 [0,0,0,0,1,0|3,0,0]=4 230 B8R0.23 CC(=O)NC(C)C(=O)O MCULE-1209958700 [0,0,0,0,1,0|3,0,0]=4 231 B8R0.23 CC(=O)NC(C)C(=O)O MCULE-6844686208 [0,0,0,0,1,0|3,0,0]=4 232 B8R0.23 CC(=O)N[C@@H](C)C(=O)O MCULE-7453059048 [0,0,0,0,1,0|3,0,0]=4 233 B8R0.23 CC(=O)N[C@@H](C)C(=O)O MCULE-9637570463 [0,0,0,0,1,0|3,0,0]=4 234 B8R0.23 CC(=O)N[C@H](C)C(=O)O MCULE-1908712348 [0,0,0,0,1,0|3,0,0]=4 235 B8R0.23 CC(=O)N[C@H](C)C(=O)O MCULE-3023888296 [0,0,0,0,1,0|3,0,0]=4 236 B8R0.23 CC(=O)OC(C)C(=O)O MCULE-6745958064 [0,0,0,0,1,0|3,0,0]=4 237 B8R0.23 CC(=O)OC(C)C(=O)O MCULE-8940501529 [0,0,0,0,1,0|3,0,0]=4 238 B8R0.23 CC(=O)O[C@@H](C)C(=O)O MCULE-7850132202 [0,0,0,0,1,0|3,0,0]=4 239 B8R0.23 CC(=O)O[C@@H](C)C(=O)O MCULE-9087871033 [0,0,0,0,1,0|3,0,0]=4 240 B8R0.23 CC(=O)O[C@H](C)C(=O)O MCULE-3788243723 [0,0,0,0,1,0|3,0,0]=4 241 B8R0.23 CC(=O)O[C@H](C)C(=O)O MCULE-8696299139 [0,0,0,0,1,0|3,0,0]=4 242 B8R0.23 CC(C)C(O)CC(=O)O MCULE-2577623422 [0,0,0,0,1,0|2,0,1]=4 243 B8R0.23 CC(C)CC(O)C(=O)O MCULE-3638762911 [0,0,0,0,1,0|2,0,1]=4 244 B8R0.23 CC(C)CC(O)C(=O)O MCULE-4315013875 [0,0,0,0,1,0|2,0,1]=4 245 B8R0.23 CC(C)C[C@@H](O)C(=O)O MCULE-4108530385 [0,0,0,0,1,0|2,0,1]=4 246 B8R0.23 CC(C)C[C@@H](O)C(=O)O MCULE-5253943571 [0,0,0,0,1,0|2,0,1]=4 247 B8R0.23 CC(C)C[C@H](O)C(=O)O MCULE-1740362996 [0,0,0,0,1,0|2,0,1]=4 248 B8R0.23 CC(C)C[C@H](O)C(=O)O MCULE-4466965907 [0,0,0,0,1,0|2,0,1]=4 249 B8R0.23 CC(C)[C@@H](O)CC(=O)O MCULE-6946774834 [0,0,0,0,1,0|2,0,1]=4 250 B8R0.23 CC(CC(=O)Cl)C(=O)Cl MCULE-1409735811 [0,0,0,0,1,0|3,0,0]=4 251 B8R0.23 CC(CC(=O)N)C(=O)O MCULE-8238400356 [0,0,0,0,1,0|2,0,0]=3 252 B8R0.23 CC(CC(=O)O)C(=O)O MCULE-4824634360 [0,0,0,0,1,0|1,0,0]=2 253 B8R0.23 CC(CC(=O)O)C(=O)O MCULE-8116748590 [0,0,0,0,1,0|1,0,0]=2 254 B8R0.23 CC(CS(=O)C)C(=O)O MCULE-4855592077 [0,0,0,0,1,0|3,0,0]=4 255 B8R0.23 CC(NC(=O)N)C(=O)O MCULE-9370944250 [0,0,0,0,1,0|3,0,0]=4 256 B8R0.23 CC(O)C(N)CC(=O)O MCULE-5161755443 [0,0,0,0,1,0|2,0,1]=4 257 B8R0.23 CC(O)C(N)CC(=O)O MCULE-6370326858 [0,0,0,0,1,0|2,0,1]=4 258 B8R0.23 CN(C)CC(O)C(=O)O MCULE-2461037518 [0,0,0,0,1,0|3,0,0]=4 259 B8R0.23 CN(C)C[C@H](O)C(=O)O MCULE-7629489364 [0,0,0,0,1,0|3,0,0]=4 260 B8R0.23 CN(CC(=O)O)C(=O)N MCULE-6739535875 [0,0,0,0,1,0|3,0,0]=4 261 B8R0.23 CS(=O)CC(N)C(=O)O MCULE-5699602621 [0,0,0,0,1,0|3,0,0]=4 262 B8R0.23 CS(=O)C[C@@H](N)C(=O)O MCULE-8253087333 [0,0,0,0,1,0|3,0,0]=4 263 B8R0.23 CS(=O)C[C@H](N)C(=O)O MCULE-5080098254 [0,0,0,0,1,0|3,0,0]=4 264 B8R0.23 C[C@@H](CC(=O)O)C(=O)O MCULE-1711994689 [0,0,0,0,1,0|1,0,0]=2 265 B8R0.23 C[C@@H](CC(=O)O)C(=O)O MCULE-6107805812 [0,0,0,0,1,0|1,0,0]=2 266 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-1416044737 [0,0,0,0,1,0|2,0,1]=4 267 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-2990511228 [0,0,0,0,1,0|2,0,1]=4 268 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-3178455647 [0,0,0,0,1,0|2,0,1]=4 269 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-4413833682 [0,0,0,0,1,0|2,0,1]=4 270 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-7332826518 [0,0,0,0,1,0|2,0,1]=4 271 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-7552978009 [0,0,0,0,1,0|2,0,1]=4 272 B8R0.23 C[C@H](CC(=O)O)C(=O)O MCULE-2738295504 [0,0,0,0,1,0|1,0,0]=2 273 B8R0.23 C[C@H](CC(=O)O)C(=O)O MCULE-4544789339 [0,0,0,0,1,0|1,0,0]=2 274 B8R0.23 C[C@H](NC(=O)N)C(=O)O MCULE-7947685696 [0,0,0,0,1,0|3,0,0]=4 275 B8R0.23 C[C@H](O)[C@@H](N)CC(=O)O MCULE-8673070329 [0,0,0,0,1,0|2,0,1]=4 276 B8R0.23 C[S@](=O)C[C@@H](N)C(=O)O MCULE-4004385080 [0,0,0,0,1,0|3,0,0]=4 277 B8R0.23 NC(=O)C(N)CC(=O)O MCULE-2277575843 [0,0,0,0,1,0|2,0,0]=3 278 B8R0.23 NC(=O)CC(Br)C(=O)O MCULE-2823539046 [0,0,0,0,1,0|2,0,0]=3 279 B8R0.23 NC(=O)CC(N)C(=O)O MCULE-1395307434 [0,0,0,0,1,0|2,0,0]=3 280 B8R0.23 NC(=O)C[C@@H](N)C(=O)N MCULE-7126009795 [0,0,0,0,1,0|3,0,0]=4 281 B8R0.23 NC(=O)C[C@@H](N)C(=O)O MCULE-5685974579 [0,0,0,0,1,0|2,0,0]=3 282 B8R0.23 NC(=O)C[C@@H](N)C(=O)O MCULE-6923060287 [0,0,0,0,1,0|2,0,0]=3 283 B8R0.23 NC(=O)C[C@H](N)C(=O)N MCULE-3049784970 [0,0,0,0,1,0|3,0,0]=4 284 B8R0.23 NC(=O)C[C@H](N)C(=O)N MCULE-6209092318 [0,0,0,0,1,0|3,0,0]=4 285 B8R0.23 NC(=O)C[C@H](N)C(=O)N MCULE-7482170747 [0,0,0,0,1,0|3,0,0]=4 286 B8R0.23 NC(=O)C[C@H](N)C(=O)N MCULE-8939291995 [0,0,0,0,1,0|3,0,0]=4 287 B8R0.23 NC(=O)C[C@H](N)C(=O)O MCULE-1868046141 [0,0,0,0,1,0|2,0,0]=3 288 B8R0.23 NC(=O)C[C@H](N)C(=O)O MCULE-8248953574 [0,0,0,0,1,0|2,0,0]=3 289 B8R0.23 NC(=O)N(N)CC(=O)O MCULE-2553509411 [0,0,0,0,1,0|3,0,0]=4 290 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-1924512659 [0,0,0,0,1,0|2,0,0]=3 291 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-5836180326 [0,0,0,0,1,0|2,0,0]=3 292 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-8799617587 [0,0,0,0,1,0|2,0,0]=3 293 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-9477928215 [0,0,0,0,1,0|2,0,0]=3 294 B8R0.23 NC(=O)[C@H](N)CC(=O)O MCULE-5316198498 [0,0,0,0,1,0|2,0,0]=3 295 B8R0.23 NC(=O)[C@H](N)CC(=O)O MCULE-9833023193 [0,0,0,0,1,0|2,0,0]=3 296 B8R0.23 NC(CC(=O)O)C(=O)O MCULE-1247865301 [0,0,0,0,1,0|1,0,0]=2 297 B8R0.23 NC(CC(=O)O)C(=O)O MCULE-9328817309 [0,0,0,0,1,0|1,0,0]=2 298 B8R0.23 NC(CC(=O)O)C(=O)[O-] MCULE-5149469296 [0,0,0,0,1,0|1,0,1]=3 299 B8R0.23 NC(CC(=O)O)C(=O)[O-] MCULE-6655576025 [0,0,0,0,1,0|1,0,1]=3 300 B8R0.23 NC(CC(=O)[O-])C(=O)O MCULE-9221777365 [0,0,0,0,1,0|1,0,1]=3 301 B8R0.23 NC(CC(=O)[O-])C(=O)[O-] MCULE-5331717218 [0,0,0,0,1,0|1,0,2]=4 302 B8R0.23 NC(CC(=O)[O-])C(=O)[O-] MCULE-5921707862 [0,0,0,0,1,0|1,0,2]=4 303 B8R0.23 N[C@@H](CC(=O)O)C(=O)O MCULE-3710241722 [0,0,0,0,1,0|1,0,0]=2 304 B8R0.23 N[C@@H](CC(=O)O)C(=O)O MCULE-6700641640 [0,0,0,0,1,0|1,0,0]=2 305 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] MCULE-6196524297 [0,0,0,0,1,0|1,0,1]=3 306 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)O MCULE-5793000569 [0,0,0,0,1,0|1,0,1]=3 307 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] MCULE-4019077430 [0,0,0,0,1,0|1,0,2]=4 308 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] MCULE-5586538224 [0,0,0,0,1,0|1,0,2]=4 309 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] MCULE-7845714288 [0,0,0,0,1,0|1,0,2]=4 310 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] MCULE-8320700728 [0,0,0,0,1,0|1,0,2]=4 311 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] MCULE-8905060145 [0,0,0,0,1,0|1,0,2]=4 312 B8R0.23 N[C@@H](CS(=O)O)C(=O)O MCULE-6647925908 [0,0,0,0,1,0|2,0,0]=3 313 B8R0.23 N[C@@H](CS(=O)O)C(=O)O MCULE-7596867929 [0,0,0,0,1,0|2,0,0]=3 314 B8R0.23 N[C@H](CC(=O)O)C(=O)O MCULE-8102700760 [0,0,0,0,1,0|1,0,0]=2 315 B8R0.23 O=C(O)/C=C(\F)/C(=O)O MCULE-5646698704 [0,0,0,0,1,0|1,0,2]=4 316 B8R0.23 O=C(O)C=C(F)C(=O)O MCULE-9862154394 [0,0,0,0,1,0|1,0,2]=4 317 B8R0.23 O=C(O)C=C(I)C(=O)O MCULE-3104454041 [0,0,0,0,1,0|1,0,2]=4 318 B8R0.23 O=C(O)CC(=O)C(=O)O MCULE-6059222019 [0,0,0,0,1,0|0,0,2]=3 319 B8R0.23 O=C(O)CC(Br)C(=O)O MCULE-8178780603 [0,0,0,0,1,0|1,0,0]=2 320 B8R0.23 O=C(O)CC(Cl)C(=O)O MCULE-6357456691 [0,0,0,0,1,0|1,0,0]=2 321 B8R0.23 O=C(O)CC(F)C(=O)O MCULE-8433198001 [0,0,0,0,1,0|1,0,0]=2 322 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-5852208511 [0,0,0,0,1,0|0,0,0]=1 323 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-9713558868 [0,0,0,0,1,0|0,0,0]=1 324 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-9924961830 [0,0,0,0,1,0|0,0,0]=1 325 B8R0.23 O=C(O)CC(S)C(=O)O MCULE-7005300961 [0,0,0,0,1,0|0,1,0]=2 326 B8R0.23 O=C(O)C[C@@H](Br)C(=O)O MCULE-4598056907 [0,0,0,0,1,0|1,0,0]=2 327 B8R0.23 O=C(O)C[C@@H](Br)C(=O)O MCULE-7861798045 [0,0,0,0,1,0|1,0,0]=2 328 B8R0.23 O=C(O)C[C@@H](O)C(=O)O MCULE-2239273084 [0,0,0,0,1,0|0,0,0]=1 329 B8R0.23 O=C(O)C[C@@H](O)C(=O)O MCULE-4984266891 [0,0,0,0,1,0|0,0,0]=1 330 B8R0.23 O=C(O)C[C@H](Br)C(=O)O MCULE-6763472515 [0,0,0,0,1,0|1,0,0]=2 331 B8R0.23 O=C(O)C[C@H](Br)C(=O)O MCULE-7524683930 [0,0,0,0,1,0|1,0,0]=2 332 B8R0.23 O=C(O)C[C@H](F)C(=O)O MCULE-9607625100 [0,0,0,0,1,0|1,0,0]=2 333 B8R0.23 O=C(O)C[C@H](O)C(=O)O MCULE-8339271078 [0,0,0,0,1,0|0,0,0]=1 334 B8R0.23 O=C(O)C[C@H](O)C(=O)O MCULE-8865188741 [0,0,0,0,1,0|0,0,0]=1 335 B8R0.23 O=C(O)C[C@H](O)C(=O)[O-] MCULE-1033530810 [0,0,0,0,1,0|0,0,1]=2 336 B8R0.23 O=C(O)C[C@H](S)C(=O)O MCULE-6393371024 [0,0,0,0,1,0|0,1,0]=2 337 B8R0.23 OC(=O)CN(C(=O)N)N MCULE-5081763144 [0,0,0,0,1,0|3,0,0]=4 338 B8R0.23 [C@@H](N)(CC(=O)O)C(=O)O MCULE-7899824165 [0,0,0,0,1,0|1,0,0]=2 339 B8R0.23 [C@H](N)(CS(=O)C)C(=O)O MCULE-5084638505 [0,0,0,0,1,0|3,0,0]=4 340 B8R0.23 [NH3+]C(CS(=O)[O-])C(=O)O MCULE-5293441756 [0,0,0,0,1,0|2,0,1]=4 341 B8R0.23 [NH3+][C@@H](CC(=O)[O-])C(=O)[O-] MCULE-1215535631 [0,0,0,0,1,0|1,0,2]=4 342 B10R0.96 CC(=O)CC(=O)CCC(=O)O MCULE-6445854186 [0,0,0,0,0,1|1,0,2]=4 343 B10R0.96 CC(=O)CC(=O)NCC(=O)O MCULE-8793325864 [0,0,0,0,0,1|1,0,2]=4 344 B10R0.96 CC(CCC(=O)O)CC(=O)O MCULE-7386549049 [0,0,0,0,0,1|1,0,0]=2 345 B10R0.96 C[C@H](CCC(=O)O)CC(=O)O MCULE-1721699813 [0,0,0,0,0,1|1,0,0]=2 346 B10R0.96 C[C@H](CCC(=O)O)CC(=O)O MCULE-7525360323 [0,0,0,0,0,1|1,0,0]=2 347 B10R0.96 NC(=O)CCC(N)CC(=O)O MCULE-3003314518 [0,0,0,0,0,1|2,0,0]=3 348 B10R0.96 NC(=O)CCC(N)CC(=O)O MCULE-7683510788 [0,0,0,0,0,1|2,0,0]=3 349 B10R0.96 NC(=O)CC[C@@H](N)CC(=O)O MCULE-8316748928 [0,0,0,0,0,1|2,0,0]=3 350 B10R0.96 NC(=O)CC[C@@H](N)CC(=O)O MCULE-8667775229 [0,0,0,0,0,1|2,0,0]=3 351 B10R0.96 NC(=O)CC[C@H](N)CC(=O)O MCULE-2836546299 [0,0,0,0,0,1|2,0,0]=3 352 B10R0.96 NC(=O)CC[C@H](N)CC(=O)O MCULE-4298371176 [0,0,0,0,0,1|2,0,0]=3 353 B10R0.96 NC(=O)CC[C@H](N)CC(=O)O MCULE-4441176096 [0,0,0,0,0,1|2,0,0]=3 354 B10R0.96 NC(=O)CC[C@H](N)CC(=O)O MCULE-5599562900 [0,0,0,0,0,1|2,0,0]=3 355 B10R0.96 NC(CCC(=O)O)CC(=O)O MCULE-8155260586 [0,0,0,0,0,1|1,0,0]=2 356 B10R0.96 NC(CCC(=O)O)CC(=O)O MCULE-8574900055 [0,0,0,0,0,1|1,0,0]=2 357 B10R0.96 N[C@@H](CCC(=O)O)CC(=O)O MCULE-5068946859 [0,0,0,0,0,1|1,0,0]=2 358 B10R0.96 N[C@@H](CCC(=O)O)CC(=O)O MCULE-8151605170 [0,0,0,0,0,1|1,0,0]=2 359 B10R0.96 N[C@@H](CCC(=O)O)CC(=O)O MCULE-8505675120 [0,0,0,0,0,1|1,0,0]=2 360 B10R0.96 N[C@@H](CCC(=O)O)CC(=O)O MCULE-9871725008 [0,0,0,0,0,1|1,0,0]=2 361 B10R0.96 N[C@H](CCC(=O)O)CC(=O)O MCULE-3923729315 [0,0,0,0,0,1|1,0,0]=2 362 B10R0.96 N[C@H](CCC(=O)O)CC(=O)O MCULE-6851763365 [0,0,0,0,0,1|1,0,0]=2 363 B7R0.2 C(O)(CN)CC(=O)O MCULE-8378388788 [2,0,0,0,0,0|1,0,0]=3 364 B7R0.2 C=CC(C)CC(=O)O MCULE-4817084034 [2,0,0,0,0,0|1,0,1]=4 365 B7R0.2 C=CC(N)CC(=O)O MCULE-1733618438 [2,0,0,0,0,0|1,0,1]=4 366 B7R0.2 C=CC(N)CC(=O)O MCULE-9636299966 [2,0,0,0,0,0|1,0,1]=4 367 B7R0.2 C=CC(O)CC(=O)O MCULE-2383393271 [2,0,0,0,0,0|0,0,1]=3 368 B7R0.2 CC(CN)CC(=O)O MCULE-1594242184 [2,0,0,0,0,0|2,0,0]=4 369 B7R0.2 CC(CN)CC(=O)O MCULE-8074816359 [2,0,0,0,0,0|2,0,0]=4 370 B7R0.2 CCC(C)CC(=O)O MCULE-3409782202 [2,0,0,0,0,0|1,0,1]=4 371 B7R0.2 CCC(C)CC(=O)O MCULE-6537278030 [2,0,0,0,0,0|1,0,1]=4 372 B7R0.2 CCC(N)CC(=O)O MCULE-1744910444 [2,0,0,0,0,0|1,0,1]=4 373 B7R0.2 CCC(N)CC(=O)O MCULE-5610499925 [2,0,0,0,0,0|1,0,1]=4 374 B7R0.2 CCC(O)CC(=O)C MCULE-1222748729 [2,0,0,0,0,0|1,0,1]=4 375 B7R0.2 CCC(O)CC(=O)O MCULE-4663578527 [2,0,0,0,0,0|0,0,1]=3 376 B7R0.2 CC[C@@H](C)CC(=O)O MCULE-5550070887 [2,0,0,0,0,0|1,0,1]=4 377 B7R0.2 CC[C@@H](C)CC(=O)O MCULE-9572363620 [2,0,0,0,0,0|1,0,1]=4 378 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-1158271004 [2,0,0,0,0,0|1,0,1]=4 379 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-2354820947 [2,0,0,0,0,0|1,0,1]=4 380 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-4284161835 [2,0,0,0,0,0|1,0,1]=4 381 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-9523089766 [2,0,0,0,0,0|1,0,1]=4 382 B7R0.2 CC[C@H](C)CC(=O)O MCULE-4177365854 [2,0,0,0,0,0|1,0,1]=4 383 B7R0.2 CC[C@H](C)CC(=O)O MCULE-5173108207 [2,0,0,0,0,0|1,0,1]=4 384 B7R0.2 CC[C@H](N)CC(=O)O MCULE-1463536674 [2,0,0,0,0,0|1,0,1]=4 385 B7R0.2 CC[C@H](N)CC(=O)O MCULE-2865599647 [2,0,0,0,0,0|1,0,1]=4 386 B7R0.2 CC[C@H](N)CC(=O)O MCULE-4506847599 [2,0,0,0,0,0|1,0,1]=4 387 B7R0.2 CC[C@H](N)CC(=O)O MCULE-4819674539 [2,0,0,0,0,0|1,0,1]=4 388 B7R0.2 CN(C=O)CC(=O)O MCULE-2679649056 [2,0,0,0,0,0|2,0,0]=4 389 B7R0.2 C[C@H](CN)CC(=O)O MCULE-4808630217 [2,0,0,0,0,0|2,0,0]=4 390 B7R0.2 C[C@H](CN)CC(=O)O MCULE-5474405940 [2,0,0,0,0,0|2,0,0]=4 391 B7R0.2 NC(CO)CC(=O)O MCULE-4749383822 [2,0,0,0,0,0|1,0,0]=3 392 B7R0.2 NC(CO)CC(=O)O MCULE-7973334774 [2,0,0,0,0,0|1,0,0]=3 393 B7R0.2 NC(CO)CC(=O)O MCULE-8406665261 [2,0,0,0,0,0|1,0,0]=3 394 B7R0.2 NCC(N)CC(=O)O MCULE-5523883615 [2,0,0,0,0,0|2,0,0]=4 395 B7R0.2 NCC(N)CC(=O)O MCULE-7594259237 [2,0,0,0,0,0|2,0,0]=4 396 B7R0.2 NCC(O)CC(=O)O MCULE-9221352157 [2,0,0,0,0,0|1,0,0]=3 397 B7R0.2 NC[C@@H](N)CC(=O)O MCULE-6348974465 [2,0,0,0,0,0|2,0,0]=4 398 B7R0.2 NC[C@@H](N)CC(=O)O MCULE-9397628218 [2,0,0,0,0,0|2,0,0]=4 399 B7R0.2 NC[C@@H](O)CC(=O)O MCULE-2174350055 [2,0,0,0,0,0|1,0,0]=3 400 B7R0.2 NC[C@@H](O)CC(=O)O MCULE-8177708130 [2,0,0,0,0,0|1,0,0]=3 401 B7R0.2 NC[C@H](N)CC(=O)O MCULE-6133569516 [2,0,0,0,0,0|2,0,0]=4 402 B7R0.2 NC[C@H](N)CC(=O)O MCULE-7098533469 [2,0,0,0,0,0|2,0,0]=4 403 B7R0.2 NC[C@H](O)CC(=O)O MCULE-6634973995 [2,0,0,0,0,0|1,0,0]=3 404 B7R0.2 NC[C@H](O)CC(=O)O MCULE-8055679819 [2,0,0,0,0,0|1,0,0]=3 405 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-1773927420 [2,0,0,0,0,0|1,0,0]=3 406 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-2797951743 [2,0,0,0,0,0|1,0,0]=3 407 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-3839766977 [2,0,0,0,0,0|1,0,0]=3 408 B7R0.2 N[C@H](CO)CC(=O)O MCULE-4130106630 [2,0,0,0,0,0|1,0,0]=3 409 B7R0.2 O=C(O)CC(=O)CO MCULE-2224143705 [2,0,0,0,0,0|0,0,2]=4 410 B7R0.2 O=C(O)CC(O)CO MCULE-2851149196 [2,0,0,0,0,0|0,0,0]=2 411 B7R0.2 O=C(O)C[C@H](O)CO MCULE-5671818548 [2,0,0,0,0,0|0,0,0]=2 412 B7R0.2 O=C([O-])CC(O)CO MCULE-5202762172 [2,0,0,0,0,0|0,0,1]=3 413 B7R0.2 O=C([O-])CC(O)CO MCULE-6219855770 [2,0,0,0,0,0|0,0,1]=3 414 B7R0.2 O=CN(O)CC(=O)O MCULE-7408790227 [2,0,0,0,0,0|1,0,0]=3 415 B7R0.2 [NH3+][C@H](CO)CC(=O)[O-] MCULE-5131942851 [2,0,0,0,0,0|1,0,1]=4 416 B7R0.4 C#CCCCC(=O)O MCULE-7464892335 [2,0,0,0,0,0|1,0,1]=4 417 B7R0.4 C=CCCCC(=O)Cl MCULE-9125909850 [2,0,0,0,0,0|2,0,0]=4 418 B7R0.4 C=CCCCC(=O)O MCULE-6043142578 [2,0,0,0,0,0|1,0,0]=3 419 B7R0.4 C=CCNCC(=O)O MCULE-2925626447 [2,0,0,0,0,0|2,0,0]=4 420 B7R0.4 C=CCNCC(=O)O MCULE-6980667867 [2,0,0,0,0,0|2,0,0]=4 421 B7R0.4 C=CCOCC(=O)O MCULE-1419435306 [2,0,0,0,0,0|2,0,0]=4 422 B7R0.4 C=CCSCC(=O)O MCULE-1950424629 [2,0,0,0,0,0|2,0,0]=4 423 B7R0.4 CC(=O)CCCCO MCULE-9846338144 [2,0,0,0,0,0|1,0,1]=4 424 B7R0.4 CC(=O)NCCC=O MCULE-1907633123 [2,0,0,0,0,0|2,0,0]=4 425 B7R0.4 CC(=O)SCCC=O MCULE-3054558493 [2,0,0,0,0,0|2,0,0]=4 426 B7R0.4 CC=CCCC(=O)O MCULE-4275247668 [2,0,0,0,0,0|1,0,1]=4 427 B7R0.4 CCCCCC(=O)O MCULE-1671810139 [2,0,0,0,0,0|1,0,1]=4 428 B7R0.4 CNCCCC(=O)O MCULE-7598762485 [2,0,0,0,0,0|2,0,0]=4 429 B7R0.4 CNCCCC(=O)O MCULE-7877286915 [2,0,0,0,0,0|2,0,0]=4 430 B7R0.4 COCCCC(=O)O MCULE-3165881573 [2,0,0,0,0,0|2,0,0]=4 431 B7R0.4 CSCCCC(=O)O MCULE-2126637794 [2,0,0,0,0,0|2,0,0]=4 432 B7R0.4 N#CCCCC(=O)O MCULE-9921837071 [2,0,0,0,0,0|1,0,1]=4 433 B7R0.4 NC(=O)CCCCO MCULE-4820227146 [2,0,0,0,0,0|1,0,1]=4 434 B7R0.4 NCCCCC(=O)O MCULE-1155829905 [2,0,0,0,0,0|1,0,1]=4 435 B7R0.4 NCCCCC(=O)O MCULE-3920398524 [2,0,0,0,0,0|1,0,1]=4 436 B7R0.4 NCCCCC(=O)O MCULE-4404796498 [2,0,0,0,0,0|1,0,1]=4 437 B7R0.4 NCCCCC(=O)O MCULE-4971679857 [2,0,0,0,0,0|1,0,1]=4 438 B7R0.4 NOCCCC(=O)O MCULE-4102473285 [2,0,0,0,0,0|2,0,0]=4 439 B7R0.4 NOCCCC(=O)O MCULE-7068985203 [2,0,0,0,0,0|2,0,0]=4 440 B7R0.4 O=C(O)CCC=CBr MCULE-1826887170 [2,0,0,0,0,0|1,0,1]=4 441 B7R0.4 O=C(O)CCCCBr MCULE-2655919094 [2,0,0,0,0,0|1,0,1]=4 442 B7R0.4 O=C(O)CCCCCl MCULE-4094641005 [2,0,0,0,0,0|1,0,1]=4 443 B7R0.4 O=C(O)CCCCO MCULE-8816195933 [2,0,0,0,0,0|0,0,1]=3 444 B7R0.4 O=C(O)CCCCS MCULE-2427465795 [2,0,0,0,0,0|0,1,1]=4 445 B7R0.4 O=C(O)CNCCO MCULE-7501311949 [2,0,0,0,0,0|1,0,1]=4 446 B7R0.4 O=C(O)COCCO MCULE-8297137880 [2,0,0,0,0,0|1,0,1]=4 447 B7R0.4 O=C(O)CSCCO MCULE-1062560307 [2,0,0,0,0,0|1,0,1]=4 448 B7R0.4 O=C([O-])CCCCO MCULE-3836827182 [2,0,0,0,0,0|0,0,2]=4 449 B7R0.4 O=CCCCC(=O)O MCULE-8389457571 [2,0,0,0,0,0|0,0,0]=2 450 B7R0.7 C=CCC(O)CC=C MCULE-5356579850 [2,0,0,0,0,0|2,0,0]=4 451 B7R0.7 OCCC(O)CCO MCULE-1162803524 [2,0,0,0,0,0|0,0,2]=4 452 B9R0.4 C=CCCC(N)CC(=O)O MCULE-1616151020 [1,1,0,0,0,0|2,0,0]=4 453 B9R0.4 C=CCCC(N)CC(=O)O MCULE-6121434138 [1,1,0,0,0,0|2,0,0]=4 454 B9R0.4 CC(CC(=O)O)NCCO MCULE-6990108869 [1,1,0,0,0,0|1,0,1]=4 455 B9R0.4 CCCCC(O)CC(=O)O MCULE-6348296633 [1,1,0,0,0,0|1,0,1]=4 456 B9R0.4 CSCCC(O)CC(=O)O MCULE-8328222292 [1,1,0,0,0,0|0,1,1]=4 457 B9R0.6 CCCC(O)C(N)C(=O)O MCULE-5391337444 [1,1,0,0,0,0|1,0,1]=4 458 B9R0.6 C[C@H](O)[C@@H](O)[C@@H](O)CC=O MCULE-2872306796 [1,1,0,0,0,0|1,0,1]=4 459 B9R0.23 O=C(O)C[C@@H](O)[C@@H](O)CO MCULE-5394522095 [1,1,0,0,0,0|0,0,1]=3 460 B9R0.23 O=C(O)C[C@H](O)[C@H](O)CO MCULE-2704229472 [1,1,0,0,0,0|0,0,1]=3 461 B9R0.34 C=CC[C@@H](N)CC(=O)OC MCULE-9776508302 [1,1,0,0,0,0|2,0,0]=4 462 B9R0.34 C=CC[C@@H](N)CC(=O)OC MCULE-9805416518 [1,1,0,0,0,0|2,0,0]=4 463 B9R0.34 CCCC(O)CC(=O)OC MCULE-5453080247 [1,1,0,0,0,0|1,0,1]=4 464 B9R0.34 CCC[C@H](O)CC(=O)OC MCULE-6660623319 [1,1,0,0,0,0|1,0,1]=4 465 B9R0.34 [C@@H](O)(CCC)CC(=O)OC MCULE-5886148746 [1,1,0,0,0,0|1,0,1]=4 466 B9R0.58 C=CCC(C)(C)CC(=O)O MCULE-3859494910 [1,1,0,0,0,0|2,0,0]=4 467 B9R0.58 CC(O)(CCO)CC(=O)O MCULE-1728546222 [1,1,0,0,0,0|0,0,1]=3 468 B9R0.58 CC(O)(CCO)CC(=O)[O-] MCULE-2842724264 [1,1,0,0,0,0|0,0,2]=4 469 B9R0.58 CCCC(C)(O)CC(=O)O MCULE-7082436494 [1,1,0,0,0,0|1,0,1]=4 470 B9R0.58 C[C@](O)(CCO)CC(=O)O MCULE-1986337120 [1,1,0,0,0,0|0,0,1]=3 471 B9R0.58 C[C@](O)(CCO)CC(=O)O MCULE-8476600793 [1,1,0,0,0,0|0,0,1]=3 472 B9R0.1 C=C(C)CCCC(=O)OC MCULE-9632804158 [1,1,0,0,0,0|2,0,0]=4 473 B9R0.1 C=CC(=O)OCCC(=O)O MCULE-6407187257 [1,1,0,0,0,0|2,0,0]=4 474 B9R0.1 CCC(=O)CCCC(=O)O MCULE-9954859815 [1,1,0,0,0,0|1,0,0]=3 475 B9R0.1 CCC(=O)NCCC(=O)O MCULE-8290753533 [1,1,0,0,0,0|2,0,0]=4 476 B9R0.1 CN(CCCC(=O)O)N=O MCULE-9429394767 [1,1,0,0,0,0|2,0,0]=4 477 B9R0.1 CNC(=O)CCCC(=O)O MCULE-1504372631 [1,1,0,0,0,0|1,0,0]=3 478 B9R0.1 CNC(=O)COCC(=O)O MCULE-6654181237 [1,1,0,0,0,0|2,0,0]=4 479 B9R0.1 CNC(=O)NCCC(=O)O MCULE-2339960341 [1,1,0,0,0,0|2,0,0]=4 480 B9R0.1 COC(=O)CCCC(=O)C MCULE-7598370905 [1,1,0,0,0,0|1,0,0]=3 481 B9R0.1 COC(=O)CCCC(=O)Cl MCULE-6036333168 [1,1,0,0,0,0|1,0,0]=3 482 B9R0.1 COC(=O)CCCC(=O)O MCULE-9458960872 [1,1,0,0,0,0|0,0,0]=2 483 B9R0.1 COC(=O)CCCC(=S)N MCULE-8415864487 [1,1,0,0,0,0|1,1,0]=4 484 B9R0.1 COC(=O)CCCN(=O)=O MCULE-6885475719 [1,1,0,0,0,0|1,0,1]=4 485 B9R0.1 COC(=O)CCNC(=O)C MCULE-2210096145 [1,1,0,0,0,0|2,0,0]=4 486 B9R0.1 COC(=O)CCNC(=O)N MCULE-9678867682 [1,1,0,0,0,0|2,0,0]=4 487 B9R0.1 COC(=O)CNCC(=O)O MCULE-2471794774 [1,1,0,0,0,0|1,0,0]=3 488 B9R0.1 COC(=O)COCC(=O)C MCULE-4891593388 [1,1,0,0,0,0|2,0,0]=4 489 B9R0.1 COC(=O)COCC(=O)O MCULE-7342647633 [1,1,0,0,0,0|1,0,0]=3 490 B9R0.1 COC(=O)CSCC(=O)C MCULE-7264442650 [1,1,0,0,0,0|2,0,0]=4 491 B9R0.1 COC(=O)CSCC(=O)O MCULE-3902674048 [1,1,0,0,0,0|1,0,0]=3 492 B9R0.1 COC(=O)NCCC(=O)O MCULE-2819384794 [1,1,0,0,0,0|1,0,0]=3 493 B9R0.1 NCC(=O)CCCC(=O)O MCULE-2734634895 [1,1,0,0,0,0|1,0,0]=3 494 B9R0.1 NCC(=O)CCCC(=O)O MCULE-7779987234 [1,1,0,0,0,0|1,0,0]=3 495 B9R0.1 O=C(O)CCCC(O)CO MCULE-8338266320 [1,1,0,0,0,0|0,0,2]=4 496 B9R0.1 O=C(O)CCNC(=O)CBr MCULE-6072289927 [1,1,0,0,0,0|2,0,0]=4 497 B9R0.1 O=C(O)CCNC(=O)CCl MCULE-4076619762 [1,1,0,0,0,0|2,0,0]=4 498 B9R0.1 O=C(O)CCNC(=O)CO MCULE-2710668626 [1,1,0,0,0,0|1,0,0]=3 499 B9R0.7 C(N)(CCC(=O)[O-])C(=O)O MCULE-5359010340 [1,1,0,0,0,0|0,0,1]=3 500 B9R0.7 C=C(CCC(=O)O)C(=O)O MCULE-3502029665 [1,1,0,0,0,0|0,0,1]=3 501 B9R0.7 CC(=O)C(C)CCC(=O)O MCULE-9124111940 [1,1,0,0,0,0|1,0,0]=3 502 B9R0.7 CC(=O)C(C)CCC(=O)[O-] MCULE-8051941482 [1,1,0,0,0,0|1,0,1]=4 503 B9R0.7 CC(=O)N(C)CCC(=O)O MCULE-3939402773 [1,1,0,0,0,0|2,0,0]=4 504 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-4063734192 [1,1,0,0,0,0|2,0,0]=4 505 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-6252379108 [1,1,0,0,0,0|2,0,0]=4 506 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-6448707862 [1,1,0,0,0,0|2,0,0]=4 507 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-8255582994 [1,1,0,0,0,0|2,0,0]=4 508 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-2377153563 [1,1,0,0,0,0|2,0,0]=4 509 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-2469027462 [1,1,0,0,0,0|2,0,0]=4 510 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-4796013964 [1,1,0,0,0,0|2,0,0]=4 511 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-9408226443 [1,1,0,0,0,0|2,0,0]=4 512 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-1751945139 [1,1,0,0,0,0|2,0,0]=4 513 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-3822387628 [1,1,0,0,0,0|2,0,0]=4 514 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-6052634347 [1,1,0,0,0,0|2,0,0]=4 515 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-6909390355 [1,1,0,0,0,0|2,0,0]=4 516 B9R0.7 CC(=O)SCC(C)C(=O)O MCULE-5116238206 [1,1,0,0,0,0|2,0,0]=4 517 B9R0.7 CC(=O)SCC(N)C(=O)O MCULE-2891442308 [1,1,0,0,0,0|2,0,0]=4 518 B9R0.7 CC(=O)SCC(N)C(=O)O MCULE-4623851451 [1,1,0,0,0,0|2,0,0]=4 519 B9R0.7 CC(=O)SC[C@@H](C)C(=O)O MCULE-8028939364 [1,1,0,0,0,0|2,0,0]=4 520 B9R0.7 CC(=O)SC[C@@H](C)C(=O)O MCULE-8973266419 [1,1,0,0,0,0|2,0,0]=4 521 B9R0.7 CC(=O)SC[C@H](N)C(=O)O MCULE-1698125004 [1,1,0,0,0,0|2,0,0]=4 522 B9R0.7 CC(=O)SC[C@H](N)C(=O)O MCULE-6046193594 [1,1,0,0,0,0|2,0,0]=4 523 B9R0.7 CC(CCC(=O)O)C(=O)O MCULE-1523371907 [1,1,0,0,0,0|0,0,0]=2 524 B9R0.7 CC(CCC(=O)O)C(=O)O MCULE-1939523418 [1,1,0,0,0,0|0,0,0]=2 525 B9R0.7 CC(CNC(=O)N)C(=O)O MCULE-6367938073 [1,1,0,0,0,0|2,0,0]=4 526 B9R0.7 CC(NCC(=O)O)C(=O)O MCULE-1111290878 [1,1,0,0,0,0|1,0,0]=3 527 B9R0.7 CC(NCC(=O)O)C(=O)O MCULE-6569987660 [1,1,0,0,0,0|1,0,0]=3 528 B9R0.7 CC(SCC(=O)O)C(=O)O MCULE-8523268796 [1,1,0,0,0,0|1,0,0]=3 529 B9R0.7 CS(=O)CCC(N)C(=O)O MCULE-2810141962 [1,1,0,0,0,0|2,0,0]=4 530 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O MCULE-3901672243 [1,1,0,0,0,0|2,0,0]=4 531 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O MCULE-3967415982 [1,1,0,0,0,0|2,0,0]=4 532 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O MCULE-6481206030 [1,1,0,0,0,0|2,0,0]=4 533 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O MCULE-6787807393 [1,1,0,0,0,0|2,0,0]=4 534 B9R0.7 CS(=O)CC[C@H](N)C(=O)O MCULE-1832499155 [1,1,0,0,0,0|2,0,0]=4 535 B9R0.7 C[C@@H](CCC(=O)O)C(=O)O MCULE-7515023265 [1,1,0,0,0,0|0,0,0]=2 536 B9R0.7 C[C@H](CCC(=O)O)C(=O)O MCULE-8441860655 [1,1,0,0,0,0|0,0,0]=2 537 B9R0.7 C[C@H](CCC(=O)O)C(=O)O MCULE-9071150671 [1,1,0,0,0,0|0,0,0]=2 538 B9R0.7 C[C@H](CC[N+](=O)[O-])C(=O)O MCULE-1884928652 [1,1,0,0,0,0|1,0,1]=4 539 B9R0.7 C[C@H](NCC(=O)O)C(=O)O MCULE-1511229567 [1,1,0,0,0,0|1,0,0]=3 540 B9R0.7 C[C@H](NCC(=O)O)C(=O)O MCULE-4530562082 [1,1,0,0,0,0|1,0,0]=3 541 B9R0.7 NC(=O)C(N)CCC(=O)O MCULE-7109792615 [1,1,0,0,0,0|1,0,0]=3 542 B9R0.7 NC(=O)C(N)CCC(=O)O MCULE-8741984156 [1,1,0,0,0,0|1,0,0]=3 543 B9R0.7 NC(=O)CCC(N)C(=O)O MCULE-1418655814 [1,1,0,0,0,0|1,0,0]=3 544 B9R0.7 NC(=O)CC[C@@H](N)C(=O)N MCULE-3069717045 [1,1,0,0,0,0|2,0,0]=4 545 B9R0.7 NC(=O)CC[C@@H](N)C(=O)N MCULE-3964283106 [1,1,0,0,0,0|2,0,0]=4 546 B9R0.7 NC(=O)CC[C@@H](N)C(=O)N MCULE-8749190773 [1,1,0,0,0,0|2,0,0]=4 547 B9R0.7 NC(=O)CC[C@@H](N)C(=O)N MCULE-8900435477 [1,1,0,0,0,0|2,0,0]=4 548 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O MCULE-7870225738 [1,1,0,0,0,0|1,0,0]=3 549 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O MCULE-9711806580 [1,1,0,0,0,0|1,0,0]=3 550 B9R0.7 NC(=O)CC[C@H](N)C(=O)N MCULE-2293558876 [1,1,0,0,0,0|2,0,0]=4 551 B9R0.7 NC(=O)CC[C@H](N)C(=O)N MCULE-5457304555 [1,1,0,0,0,0|2,0,0]=4 552 B9R0.7 NC(=O)CC[C@H](N)C(=O)N MCULE-7482897734 [1,1,0,0,0,0|2,0,0]=4 553 B9R0.7 NC(=O)CC[C@H](N)C(=O)N MCULE-9074108708 [1,1,0,0,0,0|2,0,0]=4 554 B9R0.7 NC(=O)CC[C@H](N)C(=O)O MCULE-7234937947 [1,1,0,0,0,0|1,0,0]=3 555 B9R0.7 NC(=O)CC[C@H](N)C(=O)O MCULE-8718820108 [1,1,0,0,0,0|1,0,0]=3 556 B9R0.7 NC(=O)NCC(N)C(=O)O MCULE-4609961006 [1,1,0,0,0,0|2,0,0]=4 557 B9R0.7 NC(=O)NC[C@@H](N)C(=O)O MCULE-7506737023 [1,1,0,0,0,0|2,0,0]=4 558 B9R0.7 NC(=O)NC[C@H](N)C(=O)O MCULE-3123973606 [1,1,0,0,0,0|2,0,0]=4 559 B9R0.7 NC(=O)SCC(N)C(=O)O MCULE-7865241343 [1,1,0,0,0,0|2,0,0]=4 560 B9R0.7 NC(=O)SC[C@H](N)C(=O)O MCULE-6647567669 [1,1,0,0,0,0|2,0,0]=4 561 B9R0.7 NC(=O)SC[C@H](N)C(=O)O MCULE-7995535877 [1,1,0,0,0,0|2,0,0]=4 562 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O MCULE-7404893649 [1,1,0,0,0,0|1,0,0]=3 563 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O MCULE-7580681383 [1,1,0,0,0,0|1,0,0]=3 564 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-3142698040 [1,1,0,0,0,0|1,0,0]=3 565 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-3865619229 [1,1,0,0,0,0|1,0,0]=3 566 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-8184010011 [1,1,0,0,0,0|1,0,0]=3 567 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-8981731652 [1,1,0,0,0,0|1,0,0]=3 568 B9R0.7 NC(CCC(=O)O)C(=O)O MCULE-4203507491 [1,1,0,0,0,0|0,0,0]=2 569 B9R0.7 NC(CCC(=O)O)C(=O)O MCULE-4600207704 [1,1,0,0,0,0|0,0,0]=2 570 B9R0.7 NC(CCC(=O)O)C(=O)O MCULE-8107432729 [1,1,0,0,0,0|0,0,0]=2 571 B9R0.7 NC(CCC(=O)[O-])C(=O)O MCULE-5012956158 [1,1,0,0,0,0|0,0,1]=3 572 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-6077524166 [1,1,0,0,0,0|0,0,0]=2 573 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-7201150413 [1,1,0,0,0,0|0,0,0]=2 574 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-7328895736 [1,1,0,0,0,0|0,0,0]=2 575 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-7782530856 [1,1,0,0,0,0|0,0,0]=2 576 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-9447720868 [1,1,0,0,0,0|0,0,0]=2 577 B9R0.7 N[C@@H](CCC(=O)O)C(=O)[O-] MCULE-3042990215 [1,1,0,0,0,0|0,0,1]=3 578 B9R0.7 N[C@@H](CCC(=O)O)C(O)O MCULE-4882070910 [1,1,0,0,0,0|0,0,2]=4 579 B9R0.7 N[C@@H](CCC(=O)[O-])C(=O)O MCULE-2315425063 [1,1,0,0,0,0|0,0,1]=3 580 B9R0.7 N[C@@H](CCC(=O)[O-])C(=O)O MCULE-4367391999 [1,1,0,0,0,0|0,0,1]=3 581 B9R0.7 N[C@H](CCC(=O)O)C(=O)O MCULE-5884691541 [1,1,0,0,0,0|0,0,0]=2 582 B9R0.7 N[C@H](CCC(=O)O)C(=O)O MCULE-6647836957 [1,1,0,0,0,0|0,0,0]=2 583 B9R0.7 O=C(O)CCC(=O)C(=O)O MCULE-5148157449 [1,1,0,0,0,0|0,0,1]=3 584 B9R0.7 O=C(O)CCC(=O)C(=O)[O-] MCULE-3585102694 [1,1,0,0,0,0|0,0,2]=4 585 B9R0.7 O=C(O)CCC(Cl)C(=O)O MCULE-8696439839 [1,1,0,0,0,0|0,0,0]=2 586 B9R0.7 O=C(O)CCC(O)C(=O)O MCULE-5732806069 [1,1,0,0,0,0|0,0,0]=2 587 B9R0.7 O=C(O)CC[C@@H](O)C(=O)O MCULE-2990674754 [1,1,0,0,0,0|0,0,0]=2 588 B9R0.7 O=C(O)CC[C@@H](O)C(=O)O MCULE-9463608806 [1,1,0,0,0,0|0,0,0]=2 589 B9R0.7 O=C(O)CC[C@H](Br)C(=O)O MCULE-3541564241 [1,1,0,0,0,0|0,0,0]=2 590 B9R0.7 O=C(O)CC[C@H](Br)C(=O)O MCULE-5484001209 [1,1,0,0,0,0|0,0,0]=2 591 B9R0.7 O=C(O)CC[C@H](Cl)C(=O)O MCULE-4338578978 [1,1,0,0,0,0|0,0,0]=2 592 B9R0.7 O=C(O)CC[C@H](O)C(=O)O MCULE-4494756126 [1,1,0,0,0,0|0,0,0]=2 593 B9R0.7 O=C(O)CNC(=O)C(=O)O MCULE-6181171802 [1,1,0,0,0,0|1,0,1]=4 594 B9R0.7 O=C([O-])CCC(=O)C(=O)O MCULE-3931336643 [1,1,0,0,0,0|0,0,2]=4 595 B9R0.7 O=C([O-])CCC(O)C(=O)[O-] MCULE-1880842258 [1,1,0,0,0,0|0,0,2]=4 596 B9R0.7 O=C([O-])CCC(O)C(=O)[O-] MCULE-4254561979 [1,1,0,0,0,0|0,0,2]=4 597 B9R0.7 O=C([O-])CCC(O)C(=O)[O-] MCULE-4348197971 [1,1,0,0,0,0|0,0,2]=4 598 B9R0.7 O=C([O-])CC[C@@H](O)C(=O)[O-] MCULE-2376048296 [1,1,0,0,0,0|0,0,2]=4 599 B9R0.7 O=C([O-])CC[C@@H](O)C(=O)[O-] MCULE-3046517186 [1,1,0,0,0,0|0,0,2]=4 600 B9R0.7 O=C([O-])CC[C@H](O)C(=O)[O-] MCULE-2350068178 [1,1,0,0,0,0|0,0,2]=4 601 B9R0.7 O=C([O-])CC[C@H](O)C(=O)[O-] MCULE-8971415546 [1,1,0,0,0,0|0,0,2]=4 602 B9R0.7 P(=O)(O)CC[C@H](N)C(=O)O MCULE-2875179933 [1,1,0,0,0,0|1,0,0]=3 603 B9R0.7 [C@H](N)(CCC(=O)O)C(=O)N MCULE-1881473683 [1,1,0,0,0,0|1,0,0]=3 604 B9R0.7 [C@H](N)(CCC(=O)O)C(=O)O MCULE-8526087521 [1,1,0,0,0,0|0,0,0]=2 605 B9R0.7 [C@H](N)(CCS(=O)C)C(=O)O MCULE-2995684872 [1,1,0,0,0,0|2,0,0]=4 606 B9R0.7 [C@H](O)(CCC(=O)O)C(=O)O MCULE-8564542509 [1,1,0,0,0,0|0,0,0]=2 607 B9R0.7 [NH3+][C@@H](CCC(=O)[O-])C(=O)[O-] MCULE-6350748495 [1,1,0,0,0,0|0,0,2]=4 608 B9R0.56 CS(=O)(=O)CCCC(=O)O MCULE-2515518184 [1,1,0,0,0,0|1,0,1]=4 609 B9R0.56 NS(=O)(=O)CCCC(=O)O MCULE-8548216682 [1,1,0,0,0,0|1,0,1]=4 610 B9R0.56 O=C(O)CCCP(=O)(O)O MCULE-9510971866 [1,1,0,0,0,0|1,0,0]=3 611 B9R0.56 O=C(O)CNCP(=O)(O)O MCULE-3308266821 [1,1,0,0,0,0|2,0,0]=4 612 B9R0.11 CC(=O)C(C)(C)CC(=O)O MCULE-3797968347 [0,1,0,0,1,0|2,0,0]=4 613 B9R0.11 CC(=O)CC(C)(C)C(=O)O MCULE-3548808704 [0,1,0,0,1,0|2,0,0]=4 614 B9R0.11 CC(C)(CC(=O)O)C(=O)O MCULE-7005043054 [0,1,0,0,1,0|1,0,0]=3 615 B9R0.11 CC(N)(CC(=O)O)C(=O)O MCULE-3390093551 [0,1,0,0,1,0|1,0,0]=3 616 B9R0.11 CC(N)(CC(=O)O)C(=O)O MCULE-4137717341 [0,1,0,0,1,0|1,0,0]=3 617 B9R0.11 CC(O)(CC(=O)O)C(=O)O MCULE-8670926890 [0,1,0,0,1,0|0,0,0]=2 618 B9R0.11 C[C@@](N)(CC(=O)O)C(=O)O MCULE-5803003392 [0,1,0,0,1,0|1,0,0]=3 619 B9R0.11 C[C@@](N)(CC(=O)O)C(=O)O MCULE-7987571569 [0,1,0,0,1,0|1,0,0]=3 620 B9R0.11 C[C@](N)(CC(=O)N)C(=O)O MCULE-5803295303 [0,1,0,0,1,0|2,0,0]=4 621 B9R0.11 C[C@](N)(CC(=O)N)C(=O)O MCULE-9662132548 [0,1,0,0,1,0|2,0,0]=4 622 B9R0.11 C[C@](N)(CC(=O)O)C(=O)O MCULE-4314292616 [0,1,0,0,1,0|1,0,0]=3 623 B9R0.11 C[C@](O)(CC(=O)O)C(=O)O MCULE-1934088864 [0,1,0,0,1,0|0,0,0]=2 624 B9R0.11 O=C(O)CC(F)(F)C(=O)O MCULE-7706048377 [0,1,0,0,1,0|1,0,0]=3 625 B9R0.11 O=C(O)CC(S)(S)C(=O)O MCULE-7344489814 [0,1,0,0,1,0|0,1,0]=3 626 B9R0.39 CC(=O)NC(CO)C(=O)O MCULE-1309560741 [0,1,0,0,1,0|2,0,0]=4 627 B9R0.39 CC(=O)N[C@@H](CO)C(=O)O MCULE-1874809708 [0,1,0,0,1,0|2,0,0]=4 628 B9R0.39 CC(=O)N[C@@H](CO)C(=O)O MCULE-6388016375 [0,1,0,0,1,0|2,0,0]=4 629 B9R0.39 CC(=O)N[C@H](CO)C(=O)O MCULE-3723348697 [0,1,0,0,1,0|2,0,0]=4 630 B9R0.39 CC=C(CC(=O)O)C(=O)O MCULE-9255608800 [0,1,0,0,1,0|1,0,1]=4 631 B9R0.39 CCC(CC(=O)O)C(=O)O MCULE-6275256194 [0,1,0,0,1,0|1,0,0]=3 632 B9R0.39 CNC(CC(=O)O)C(=O)O MCULE-5049531079 [0,1,0,0,1,0|1,0,0]=3 633 B9R0.39 CN[C@@H](CC(=O)N)C(=O)O MCULE-2449462396 [0,1,0,0,1,0|2,0,0]=4 634 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O MCULE-4725692041 [0,1,0,0,1,0|1,0,0]=3 635 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O MCULE-6356483886 [0,1,0,0,1,0|1,0,0]=3 636 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O MCULE-9428412153 [0,1,0,0,1,0|1,0,0]=3 637 B9R0.39 CN[C@H](CC(=O)N)C(=O)O MCULE-2092394249 [0,1,0,0,1,0|2,0,0]=4 638 B9R0.39 CN[C@H](CC(=O)O)C(=O)O MCULE-1405442072 [0,1,0,0,1,0|1,0,0]=3 639 B9R0.39 CN[C@H](CC(=O)O)C(=O)O MCULE-8611804669 [0,1,0,0,1,0|1,0,0]=3 640 B9R0.39 CN[C@H](CC(=O)O)C(=O)O MCULE-9080466863 [0,1,0,0,1,0|1,0,0]=3 641 B9R0.39 COC(CC(=O)O)C(=O)O MCULE-3778948045 [0,1,0,0,1,0|0,0,0]=2 642 B9R0.39 NC(=O)NC(CO)C(=O)O MCULE-8322024012 [0,1,0,0,1,0|2,0,0]=4 643 B9R0.39 NCC(CC(=O)O)C(=O)O MCULE-1683659350 [0,1,0,0,1,0|1,0,0]=3 644 B9R0.39 NCC(CC(=O)O)C(=O)O MCULE-8428141166 [0,1,0,0,1,0|1,0,0]=3 645 B9R0.39 NCN(CC(=O)O)C(=O)O MCULE-9677383798 [0,1,0,0,1,0|2,0,0]=4 646 B9R0.39 O=C(O)CC(CS)C(=O)O MCULE-7352825049 [0,1,0,0,1,0|0,1,0]=3 647 B9R0.42 C(N)(CC(=O)OC)C(=O)O MCULE-8015036052 [0,1,0,0,1,0|1,0,0]=3 648 B9R0.42 C=C(CC(=O)OC)C(=O)O MCULE-1728748664 [0,1,0,0,1,0|1,0,1]=4 649 B9R0.42 C=CC(=O)NC(O)C(=O)O MCULE-6399920412 [0,1,0,0,1,0|2,0,0]=4 650 B9R0.42 CCC(=O)CC(N)C(=O)O MCULE-7167843152 [0,1,0,0,1,0|2,0,0]=4 651 B9R0.42 CCC(=O)CC(N)C(=O)O MCULE-9225518491 [0,1,0,0,1,0|2,0,0]=4 652 B9R0.42 CNC(=O)CC(N)C(=O)O MCULE-1910017583 [0,1,0,0,1,0|2,0,0]=4 653 B9R0.42 CNC(=O)CC(N)C(=O)O MCULE-2273353640 [0,1,0,0,1,0|2,0,0]=4 654 B9R0.42 CNC(=O)C[C@@H](N)C(=O)O MCULE-6316771422 [0,1,0,0,1,0|2,0,0]=4 655 B9R0.42 CNC(=O)C[C@@H](N)C(=O)O MCULE-8833942582 [0,1,0,0,1,0|2,0,0]=4 656 B9R0.42 CNC(=O)C[C@H](N)C(=O)O MCULE-7953918935 [0,1,0,0,1,0|2,0,0]=4 657 B9R0.42 CNC(=O)C[C@H](N)C(=O)O MCULE-9595811834 [0,1,0,0,1,0|2,0,0]=4 658 B9R0.42 COC(=O)CC(=O)C(=O)O MCULE-5008305161 [0,1,0,0,1,0|0,0,2]=4 659 B9R0.42 COC(=O)CC(Br)C(=O)C MCULE-7344095898 [0,1,0,0,1,0|2,0,0]=4 660 B9R0.42 COC(=O)CC(C)C(=O)O MCULE-5595331018 [0,1,0,0,1,0|1,0,0]=3 661 B9R0.42 COC(=O)CC(C)C(=O)O MCULE-9262719853 [0,1,0,0,1,0|1,0,0]=3 662 B9R0.42 COC(=O)CC(N)C(=O)O MCULE-1915038693 [0,1,0,0,1,0|1,0,0]=3 663 B9R0.42 COC(=O)CC(N)C(=O)O MCULE-4452484594 [0,1,0,0,1,0|1,0,0]=3 664 B9R0.42 COC(=O)CC(N)C(=O)O MCULE-8573910427 [0,1,0,0,1,0|1,0,0]=3 665 B9R0.42 COC(=O)CC(O)C(=O)O MCULE-7105554854 [0,1,0,0,1,0|0,0,0]=2 666 B9R0.42 COC(=O)C[C@@H](C)C(=O)Cl MCULE-7326666072 [0,1,0,0,1,0|2,0,0]=4 667 B9R0.42 COC(=O)C[C@@H](C)C(=O)O MCULE-4861767896 [0,1,0,0,1,0|1,0,0]=3 668 B9R0.42 COC(=O)C[C@@H](C)C(=O)O MCULE-6107558545 [0,1,0,0,1,0|1,0,0]=3 669 B9R0.42 COC(=O)C[C@@H](N)C(=O)O MCULE-2364792775 [0,1,0,0,1,0|1,0,0]=3 670 B9R0.42 COC(=O)C[C@@H](N)C(=O)O MCULE-3240459376 [0,1,0,0,1,0|1,0,0]=3 671 B9R0.42 COC(=O)C[C@@H](N)C(=O)O MCULE-5997294610 [0,1,0,0,1,0|1,0,0]=3 672 B9R0.42 COC(=O)C[C@@H](N)C(=O)O MCULE-6955235147 [0,1,0,0,1,0|1,0,0]=3 673 B9R0.42 COC(=O)C[C@@H](O)C(=O)O MCULE-8916007864 [0,1,0,0,1,0|0,0,0]=2 674 B9R0.42 COC(=O)C[C@H](C)C(=O)O MCULE-1205037322 [0,1,0,0,1,0|1,0,0]=3 675 B9R0.42 COC(=O)C[C@H](C)C(=O)O MCULE-7536209773 [0,1,0,0,1,0|1,0,0]=3 676 B9R0.42 COC(=O)C[C@H](N)C(=O)O MCULE-3838383924 [0,1,0,0,1,0|1,0,0]=3 677 B9R0.42 COC(=O)C[C@H](N)C(=O)O MCULE-4621655906 [0,1,0,0,1,0|1,0,0]=3 678 B9R0.42 COC(=O)C[C@H](N)C(=O)O MCULE-5113413935 [0,1,0,0,1,0|1,0,0]=3 679 B9R0.42 COC(=O)C[C@H](N)C(=O)O MCULE-9857677224 [0,1,0,0,1,0|1,0,0]=3 680 B9R0.42 COC(=O)C[C@H](O)C(=O)O MCULE-9897810817 [0,1,0,0,1,0|0,0,0]=2 681 B9R0.42 COC(=O)NC(C)C(=O)O MCULE-9255316794 [0,1,0,0,1,0|2,0,0]=4 682 B9R0.42 COC(=O)N[C@@H](C)C(=O)O MCULE-3970003504 [0,1,0,0,1,0|2,0,0]=4 683 B9R0.42 COC(=O)N[C@@H](C)C(=O)O MCULE-7941497211 [0,1,0,0,1,0|2,0,0]=4 684 B9R0.42 NC(CN(O)N=O)C(=O)O MCULE-5880257959 [0,1,0,0,1,0|2,0,0]=4 685 B9R0.42 NCC(=O)CC(N)C(=O)O MCULE-5617919538 [0,1,0,0,1,0|2,0,0]=4 686 B9R0.42 NCC(=O)CC(N)C(=O)O MCULE-5853178152 [0,1,0,0,1,0|2,0,0]=4 687 B9R0.42 N[C@@H](CC(=O)NO)C(=O)O MCULE-2694436901 [0,1,0,0,1,0|1,0,0]=3 688 B9R0.42 N[C@@H](CN(O)N=O)C(=O)O MCULE-5513289219 [0,1,0,0,1,0|2,0,0]=4 689 B9R0.42 [C@H](N)(CN(O)N=O)C(=O)O MCULE-4128156769 [0,1,0,0,1,0|2,0,0]=4 690 B9R0.57 NC(CP(=O)(O)O)C(=O)O MCULE-3742656954 [0,1,0,0,1,0|2,0,0]=4 691 B9R0.57 NC(CS(=O)(=O)O)C(=O)O MCULE-3360025136 [0,1,0,0,1,0|2,0,0]=4 692 B9R0.57 NC(CS(=O)(=O)O)C(=O)O MCULE-4680118250 [0,1,0,0,1,0|2,0,0]=4 693 B9R0.57 N[C@@H](CP(=O)(O)O)C(=O)O MCULE-6935567843 [0,1,0,0,1,0|2,0,0]=4 694 B9R0.57 N[C@@H](CS(=O)(=O)O)C(=O)O MCULE-1558128725 [0,1,0,0,1,0|2,0,0]=4 695 B9R0.57 N[C@@H](CS(=O)(=O)O)C(=O)O MCULE-6109276112 [0,1,0,0,1,0|2,0,0]=4 696 B9R0.57 O=C(O)C(O)OP(=O)(O)O MCULE-2072428473 [0,1,0,0,1,0|2,0,0]=4 697 B9R0.79 C=C(O)[C@@H](O)[C@@H](O)C(=C)O MCULE-4802689848 [0,1,0,0,1,0|2,0,0]=4 698 B9R0.79 CC(C(=O)O)C(C)C(=O)O MCULE-6112773421 [0,1,0,0,1,0|1,0,0]=3 699 B9R0.79 CC(C(=O)O)C(N)C(=O)O MCULE-7699599383 [0,1,0,0,1,0|1,0,0]=3 700 B9R0.79 CC(C(=O)O)C(O)C(=O)O MCULE-1644748819 [0,1,0,0,1,0|0,0,0]=2 701 B9R0.79 CC(C(=O)O)[C@H](N)C(=O)O MCULE-1516476673 [0,1,0,0,1,0|1,0,0]=3 702 B9R0.79 C[C@H](C(=O)O)[C@@H](C)C(=O)O MCULE-1961663558 [0,1,0,0,1,0|1,0,0]=3 703 B9R0.79 C[C@H](C(=O)O)[C@@H](N)C(=O)O MCULE-1232463081 [0,1,0,0,1,0|1,0,0]=3 704 B9R0.79 C[C@H](C(=O)O)[C@H](N)C(=O)O MCULE-3277052139 [0,1,0,0,1,0|1,0,0]=3 705 B9R0.79 NC(=O)C(O)C(O)C(=O)N MCULE-9698453363 [0,1,0,0,1,0|2,0,0]=4 706 B9R0.79 NC(C(=O)O)C(N)C(=O)O MCULE-8316230798 [0,1,0,0,1,0|1,0,0]=3 707 B9R0.79 NC(C(=O)O)C(O)C(=O)O MCULE-9532787420 [0,1,0,0,1,0|0,0,0]=2 708 B9R0.79 N[C@@H](C(=O)O)[C@@H](F)C(=O)O MCULE-2171226271 [0,1,0,0,1,0|1,0,0]=3 709 B9R0.79 N[C@H](C(=O)O)[C@@H](N)C(=O)O MCULE-6540811499 [0,1,0,0,1,0|1,0,0]=3 710 B9R0.79 N[C@H](C(=O)O)[C@H](O)C(=O)O MCULE-1913101511 [0,1,0,0,1,0|0,0,0]=2 711 B9R0.79 N[C@H](C(=O)O)[C@H](O)C(=O)O MCULE-9488918896 [0,1,0,0,1,0|0,0,0]=2 712 B9R0.79 O=C(O)/C(=C(\O)/C(=O)O)/O MCULE-4694187983 [0,1,0,0,1,0|0,0,2]=4 713 B9R0.79 O=C(O)C(=C(O)C(=O)O)O MCULE-1231900319 [0,1,0,0,1,0|0,0,2]=4 714 B9R0.79 O=C(O)C(Br)C(Br)C(=O)O MCULE-5784765255 [0,1,0,0,1,0|1,0,0]=3 715 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-1129308393 [0,1,0,0,1,0|0,0,0]=2 716 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-2045308981 [0,1,0,0,1,0|0,0,0]=2 717 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-2628563960 [0,1,0,0,1,0|0,0,0]=2 718 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-3711883524 [0,1,0,0,1,0|0,0,0]=2 719 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-3867000095 [0,1,0,0,1,0|0,0,0]=2 720 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-4358223174 [0,1,0,0,1,0|0,0,0]=2 721 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-4807487882 [0,1,0,0,1,0|0,0,0]=2 722 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-5140635020 [0,1,0,0,1,0|0,0,0]=2 723 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-6522296758 [0,1,0,0,1,0|0,0,0]=2 724 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-6821495270 [0,1,0,0,1,0|0,0,0]=2 725 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-7561074998 [0,1,0,0,1,0|0,0,0]=2 726 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-8089597216 [0,1,0,0,1,0|0,0,0]=2 727 B9R0.79 O=C(O)C(O)[C@@H](O)C(=O)O MCULE-5751523258 [0,1,0,0,1,0|0,0,0]=2 728 B9R0.79 O=C(O)C(O)[C@@H](O)C(=O)O MCULE-9550173577 [0,1,0,0,1,0|0,0,0]=2 729 B9R0.79 O=C(O)C(O)[C@H](O)C(=O)O MCULE-7402521361 [0,1,0,0,1,0|0,0,0]=2 730 B9R0.79 O=C(O)C(S)C(S)C(=O)O MCULE-6206640169 [0,1,0,0,1,0|0,1,0]=3 731 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-2640391251 [0,1,0,0,1,0|0,0,0]=2 732 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-3329629643 [0,1,0,0,1,0|0,0,0]=2 733 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-3643444072 [0,1,0,0,1,0|0,0,0]=2 734 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-4107297969 [0,1,0,0,1,0|0,0,0]=2 735 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-6410123526 [0,1,0,0,1,0|0,0,0]=2 736 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-6491788082 [0,1,0,0,1,0|0,0,0]=2 737 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-8917357121 [0,1,0,0,1,0|0,0,0]=2 738 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-9727943205 [0,1,0,0,1,0|0,0,0]=2 739 B9R0.79 O=C(O)[C@H](Br)[C@H](Br)C(=O)O MCULE-4542712392 [0,1,0,0,1,0|1,0,0]=3 740 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-1568229930 [0,1,0,0,1,0|0,0,0]=2 741 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-2241188013 [0,1,0,0,1,0|0,0,0]=2 742 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-2831813022 [0,1,0,0,1,0|0,0,0]=2 743 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-3942804599 [0,1,0,0,1,0|0,0,0]=2 744 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-5431486019 [0,1,0,0,1,0|0,0,0]=2 745 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-5579731165 [0,1,0,0,1,0|0,0,0]=2 746 B9R0.79 O=C(O)[C@H](S)[C@H](S)C(=O)O MCULE-4953802229 [0,1,0,0,1,0|0,1,0]=3 747 B9R0.79 O=C([O-])C(O)C(O)C(=O)O MCULE-7425540478 [0,1,0,0,1,0|0,0,1]=3 748 B9R0.79 O=C([O-])C(O)C(O)C(=O)O MCULE-8338522673 [0,1,0,0,1,0|0,0,1]=3 749 B9R0.79 O=C([O-])C(O)C(O)C(=O)[O-] MCULE-1120076524 [0,1,0,0,1,0|0,0,2]=4 750 B9R0.79 O=C([O-])C(O)C(O)C(=O)[O-] MCULE-4518735246 [0,1,0,0,1,0|0,0,2]=4 751 B9R0.79 O=C([O-])[C@@H](O)[C@H](O)C(=O)O MCULE-2803273406 [0,1,0,0,1,0|0,0,1]=3 752 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)O MCULE-3429484887 [0,1,0,0,1,0|0,0,1]=3 753 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)O MCULE-5385898917 [0,1,0,0,1,0|0,0,1]=3 754 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)O MCULE-9680288022 [0,1,0,0,1,0|0,0,1]=3 755 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)[O-] MCULE-5904390200 [0,1,0,0,1,0|0,0,2]=4 756 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)[O-] MCULE-7305038555 [0,1,0,0,1,0|0,0,2]=4 757 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)[O-] MCULE-9168226203 [0,1,0,0,1,0|0,0,2]=4 758 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)[O-] MCULE-9463773027 [0,1,0,0,1,0|0,0,2]=4 759 B9R0.79 [C@@H](O)(C(=O)O)[C@H](O)C(=O)O MCULE-5798988872 [0,1,0,0,1,0|0,0,0]=2 760 B9R0.79 [C@H](O)(C(=O)O)[C@@H](O)C(=O)O MCULE-9974976226 [0,1,0,0,1,0|0,0,0]=2 761 B9R0.79 [C@H](O)(C(=O)[O-])[C@@H](O)C(=O)O MCULE-7449957572 [0,1,0,0,1,0|0,0,1]=3 762 B11R0.149 NC(CC(=O)O)C(N)CC(=O)O MCULE-8617510469 [0,1,0,0,0,1|1,0,0]=3 763 B11R0.232 CC(=O)OCC(C)(C)CC(=O)O MCULE-2188358813 [0,1,0,0,0,1|2,0,0]=4 764 B11R0.232 CC(C)(CCC(=O)O)CC(=O)O MCULE-6179333060 [0,1,0,0,0,1|1,0,0]=3 765 B11R0.206 O=C(O)C(O)C(O)C(O)C(=O)O MCULE-4852574589 [0,2,0,0,0,0|0,0,0]=2 766 B11R0.110 COC(=O)CC(=O)CC(=O)OC MCULE-5037238479 [0,2,0,0,0,0|0,0,2]=4 767 B11R0.110 COC(=O)CC(C)CC(=O)OC MCULE-9260178663 [0,2,0,0,0,0|1,0,0]=3 768 B11R0.110 COC(=O)CC(N)CC(=O)OC MCULE-4341486991 [0,2,0,0,0,0|1,0,0]=3 769 B11R0.110 COC(=O)CC(N)CC(=O)OC MCULE-8784601880 [0,2,0,0,0,0|1,0,0]=3 770 B11R0.110 COC(=O)CC(N)CC(=O)OC MCULE-9836555935 [0,2,0,0,0,0|1,0,0]=3 771 B11R0.110 COC(=O)CC(O)CC(=O)OC MCULE-8366292930 [0,2,0,0,0,0|0,0,0]=2 772 B11R0.110 COC(=O)CN(C)CC(=O)OC MCULE-9362523721 [0,2,0,0,0,0|2,0,0]=4 773 B11R0.255 COC(=O)CC(C)(C)CC(=O)C MCULE-9848843538 [0,2,0,0,0,0|2,0,0]=4 774 B11R0.255 COC(=O)CC(C)(C)CC(=O)O MCULE-4831686132 [0,2,0,0,0,0|1,0,0]=3 775 B11R0.255 COC(=O)CC(C)(O)CC(=O)O MCULE-6123682531 [0,2,0,0,0,0|0,0,0]=2 776 B11R0.32 CC(=O)NC(CC(=O)O)C(=O)O MCULE-8912395007 [0,2,0,0,0,0|2,0,0]=4 777 B11R0.32 CC(=O)N[C@@H](CC(=O)O)C(=O)O MCULE-2346017798 [0,2,0,0,0,0|2,0,0]=4 778 B11R0.32 CC(=O)N[C@@H](CC(=O)O)C(=O)O MCULE-5208660790 [0,2,0,0,0,0|2,0,0]=4 779 B11R0.32 CC(C)C(CC(=O)O)CC(=O)O MCULE-6857247229 [0,2,0,0,0,0|1,0,0]=3 780 B11R0.32 NC(=O)N(CC(=O)O)CC(=O)O MCULE-6956304715 [0,2,0,0,0,0|1,0,1]=4 781 B11R0.32 NC(=O)NC(CC(=O)O)C(=O)O MCULE-1014975815 [0,2,0,0,0,0|2,0,0]=4 782 B11R0.32 NC(=O)N[C@@H](CC(=O)O)C(=O)O MCULE-2523426634 [0,2,0,0,0,0|2,0,0]=4 783 B11R0.32 NC(=O)N[C@@H](CC(=O)O)C(=O)O MCULE-3753948535 [0,2,0,0,0,0|2,0,0]=4 784 B11R0.32 O=C(O)/C=C(/CC(=O)O)\C(=O)O MCULE-4820808264 [0,2,0,0,0,0|0,0,2]=4 785 B11R0.32 O=C(O)/C=C(\CC(=O)O)/C(=O)O MCULE-8825041724 [0,2,0,0,0,0|0,0,2]=4 786 B11R0.32 O=C(O)C=C(CC(=O)O)C(=O)O MCULE-2952775308 [0,2,0,0,0,0|0,0,2]=4 787 B11R0.32 O=C(O)CC(CC(=O)O)C(=O)O MCULE-6198986604 [0,2,0,0,0,0|0,0,0]=2 788 B11R0.32 O=C(O)CN(CC(=O)O)N(=O)=O MCULE-8303732787 [0,2,0,0,0,0|1,0,1]=4 789 B11R0.35 C/C=C/C(CC(=O)O)CC(=O)O MCULE-7652192547 [0,2,0,0,0,0|1,0,0]=3 790 B11R0.35 CCCC(CC(=O)O)CC(=O)O MCULE-6540318880 [0,2,0,0,0,0|1,0,0]=3 791 B11R0.35 NCCN(CC(=O)O)CC(=O)O MCULE-4683503349 [0,2,0,0,0,0|2,0,0]=4 792 B11R0.35 NCCN(CC(=O)O)CC(=O)O MCULE-8211206299 [0,2,0,0,0,0|2,0,0]=4 793 B11R0.35 O=C(O)CN(CCO)CC(=O)O MCULE-4207926497 [0,2,0,0,0,0|1,0,0]=3 794 B11R0.210 CCC(C)(CC(=O)O)CC(=O)O MCULE-3159318035 [0,2,0,0,0,0|1,0,0]=3 795 B9R1.13 O=C(O)CC1CC=CC1 MCULE-8417475923 [1,0,0,1,0,0|2,0,0]=4 796 B9R1.13 O=C(O)CC1CCCO1 MCULE-8027346350 [1,0,0,1,0,0|1,0,1]=4 797 B9R1.13 O=C(O)CC1CCOC1 MCULE-5167901709 [1,0,0,1,0,0|1,0,1]=4 798 B9R1.13 O=C(O)CC1CCOC1 MCULE-9171332464 [1,0,0,1,0,0|1,0,1]=4 799 B9R1.13 O=C(O)C[C@@H]1CCCO1 MCULE-6652130024 [1,0,0,1,0,0|1,0,1]=4 800 B9R1.13 O=C(O)C[C@@H]1CCOC1 MCULE-2630690308 [1,0,0,1,0,0|1,0,1]=4 801 B9R1.13 O=C(O)C[C@@H]1CCOC1 MCULE-6148582776 [1,0,0,1,0,0|1,0,1]=4 802 B9R1.13 O=C(O)C[C@H]1CCOC1 MCULE-3521696581 [1,0,0,1,0,0|1,0,1]=4 803 B9R1.13 O=C(O)C[C@H]1CCOC1 MCULE-6096956796 [1,0,0,1,0,0|1,0,1]=4 804 B9R1.22 O=C1CC(C(O1)CO)O MCULE-1210550303 [1,0,0,1,0,0|0,0,1]=3 805 B9R1.22 O=C1C[C@@H]([C@H](O1)CO)O MCULE-2550191764 [1,0,0,1,0,0|0,0,1]=3 806 B9R1.22 O=C1C[C@@H]([C@H](O1)CO)O MCULE-3529189398 [1,0,0,1,0,0|0,0,1]=3 807 B9R1.22 [C@@H]1(CC(=O)O[C@@H]1CO)O MCULE-1905436889 [1,0,0,1,0,0|0,0,1]=3 808 B9R1.34 CC1=CC(CC(=O)O1)O MCULE-2892113646 [1,0,0,1,0,0|1,0,1]=4 809 B9R1.34 CC1CC(=O)CC(=O)C1 MCULE-9077952779 [1,0,0,1,0,0|2,0,0]=4 810 B9R1.34 CC1CC(=O)OC(=O)C1 MCULE-7493778576 [1,0,0,1,0,0|1,0,0]=3 811 B9R1.34 CN1CC(=O)OC(=O)C1 MCULE-5682675378 [1,0,0,1,0,0|2,0,0]=4 812 B9R1.34 NC1CC(=O)NC(=O)C1 MCULE-6382091482 [1,0,0,1,0,0|2,0,0]=4 813 B9R1.34 NC1CC(=O)NC(=O)C1 MCULE-9933185634 [1,0,0,1,0,0|2,0,0]=4 814 B9R1.34 O=C1CC(=O)OC(=O)C1 MCULE-9015105238 [1,0,0,1,0,0|0,0,2]=4 815 B9R1.41 C[C@@H]1CCO[C@H]1C(=O)O MCULE-5338216485 [1,0,0,1,0,0|1,0,1]=4 816 B9R1.41 O=C(O)C1CCCC1O MCULE-5519958446 [1,0,0,1,0,0|1,0,1]=4 817 B9R1.41 O=C(O)C1CNCC1O MCULE-4948062518 [1,0,0,1,0,0|2,0,0]=4 818 B9R1.41 O=C(O)C1CNCC1O MCULE-8113161890 [1,0,0,1,0,0|2,0,0]=4 819 B9R1.41 O=C(O)C1NCCC1O MCULE-3415911467 [1,0,0,1,0,0|1,0,1]=4 820 B9R1.41 O=C(O)C1NCCC1O MCULE-3678949962 [1,0,0,1,0,0|1,0,1]=4 821 B9R1.41 O=C(O)C1NCCC1O MCULE-6594922763 [1,0,0,1,0,0|1,0,1]=4 822 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O MCULE-1216340314 [1,0,0,1,0,0|1,0,1]=4 823 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O MCULE-1564327038 [1,0,0,1,0,0|1,0,1]=4 824 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O MCULE-8208546333 [1,0,0,1,0,0|1,0,1]=4 825 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O MCULE-9489383113 [1,0,0,1,0,0|1,0,1]=4 826 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O MCULE-9999937302 [1,0,0,1,0,0|1,0,1]=4 827 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O MCULE-1637514285 [1,0,0,1,0,0|1,0,1]=4 828 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O MCULE-7041138309 [1,0,0,1,0,0|1,0,1]=4 829 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O MCULE-9174140225 [1,0,0,1,0,0|1,0,1]=4 830 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O MCULE-9867563873 [1,0,0,1,0,0|1,0,1]=4 831 B9R1.41 O=C(O)[C@@H]1[NH2+]CC[C@@H]1O MCULE-4350473030 [1,0,0,1,0,0|1,0,1]=4 832 B9R1.41 O=C(O)[C@H]1CCC[C@H]1O MCULE-7220456005 [1,0,0,1,0,0|1,0,1]=4 833 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O MCULE-1891620706 [1,0,0,1,0,0|1,0,1]=4 834 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O MCULE-2757873569 [1,0,0,1,0,0|1,0,1]=4 835 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O MCULE-2760733859 [1,0,0,1,0,0|1,0,1]=4 836 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O MCULE-2253713572 [1,0,0,1,0,0|1,0,1]=4 837 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O MCULE-4523708371 [1,0,0,1,0,0|1,0,1]=4 838 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O MCULE-6240521801 [1,0,0,1,0,0|1,0,1]=4 839 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O MCULE-6709232399 [1,0,0,1,0,0|1,0,1]=4 840 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O MCULE-6746975985 [1,0,0,1,0,0|1,0,1]=4 841 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O MCULE-8268334758 [1,0,0,1,0,0|1,0,1]=4 842 B9R1.41 [C@@H]1(CCN[C@H]1C(=O)O)O MCULE-2060265421 [1,0,0,1,0,0|1,0,1]=4 843 B9R1.41 [C@@H]1(NCC[C@H]1O)C(=O)O MCULE-1208236317 [1,0,0,1,0,0|1,0,1]=4 844 B9R1.41 [C@H]1(CCN[C@H]1C(=O)O)O MCULE-3906438921 [1,0,0,1,0,0|1,0,1]=4 845 B9R1.53 O=C(O)CC1CC(=O)C1 MCULE-5236898540 [1,0,0,1,0,0|1,0,0]=3 846 B9R1.53 O=C(O)CC1CC(=O)N1 MCULE-4393961412 [1,0,0,1,0,0|1,0,0]=3 847 B9R1.171 O=C(O)CC1(CCC1)O MCULE-4697861595 [1,0,0,1,0,0|1,0,1]=4 848 B9R1.35 C1(CCC(=O)C1)C(=O)O MCULE-7485965564 [1,0,0,1,0,0|1,0,0]=3 849 B9R1.35 C1(CCC(=O)O1)C(=O)O MCULE-6663255579 [1,0,0,1,0,0|0,0,0]=2 850 B9R1.35 C=C1CCC(C1)C(=O)O MCULE-7982355069 [1,0,0,1,0,0|2,0,0]=4 851 B9R1.35 CC(=O)C1CCC(=O)O1 MCULE-5049805875 [1,0,0,1,0,0|1,0,0]=3 852 B9R1.35 CC1=NC(CC1)C(=O)O MCULE-1278773172 [1,0,0,1,0,0|2,0,0]=4 853 B9R1.35 CC1=NC(CC1)C(=O)O MCULE-5768248357 [1,0,0,1,0,0|2,0,0]=4 854 B9R1.35 CC1CCC(O1)C(=O)O MCULE-7354058760 [1,0,0,1,0,0|1,0,1]=4 855 B9R1.35 C[C@@H]1CC[C@@H](O1)C(=O)O MCULE-2451266259 [1,0,0,1,0,0|1,0,1]=4 856 B9R1.35 C[C@@H]1CC[C@@H](O1)C(=O)O MCULE-9559412763 [1,0,0,1,0,0|1,0,1]=4 857 B9R1.35 NC(=O)C1CCC(=O)N1 MCULE-1717146839 [1,0,0,1,0,0|2,0,0]=4 858 B9R1.35 NC(=O)[C@@H]1CCC(=O)N1 MCULE-5928054942 [1,0,0,1,0,0|2,0,0]=4 859 B9R1.35 NC(=O)[C@@H]1CCC(=O)N1 MCULE-8978218986 [1,0,0,1,0,0|2,0,0]=4 860 B9R1.35 O=C(O)C1CCC(C1)O MCULE-3301759971 [1,0,0,1,0,0|1,0,1]=4 861 B9R1.35 O=C(O)[C@@H]1CC[C@@H](C1)O MCULE-2017780821 [1,0,0,1,0,0|1,0,1]=4 862 B9R1.35 O=C(O)[C@@H]1CC[C@@H](C1)O MCULE-8789755356 [1,0,0,1,0,0|1,0,1]=4 863 B9R1.35 O=C(O)[C@@H]1CC[C@H](C1)O MCULE-6133795580 [1,0,0,1,0,0|1,0,1]=4 864 B9R1.35 O=C(O)[C@H]1CC[C@@H](C1)O MCULE-3061487094 [1,0,0,1,0,0|1,0,1]=4 865 B9R1.35 O=C(O)[C@H]1CC[C@@H](C1)O MCULE-8079944181 [1,0,0,1,0,0|1,0,1]=4 866 B9R1.35 O=C(O)[C@H]1CC[C@H](C1)O MCULE-2713143734 [1,0,0,1,0,0|1,0,1]=4 867 B9R1.35 O=C1C=C(CC1)C(=O)O MCULE-7681373121 [1,0,0,1,0,0|1,0,1]=4 868 B9R1.35 O=C1CC(CN1)C(=O)O MCULE-2190630193 [1,0,0,1,0,0|2,0,0]=4 869 B9R1.35 O=C1CC(CO1)C(=O)O MCULE-4876585769 [1,0,0,1,0,0|2,0,0]=4 870 B9R1.35 O=C1CC(CS1)C(=O)O MCULE-5763665475 [1,0,0,1,0,0|2,0,0]=4 871 B9R1.35 O=C1CCC(C1)C(=O)O MCULE-8715651663 [1,0,0,1,0,0|1,0,0]=3 872 B9R1.35 O=C1CCC(N1)C(=O)Cl MCULE-7943877958 [1,0,0,1,0,0|2,0,0]=4 873 B9R1.35 O=C1CCC(N1)C(=O)O MCULE-4175874303 [1,0,0,1,0,0|1,0,0]=3 874 B9R1.35 O=C1CCC(N1)C(=O)O MCULE-9028773140 [1,0,0,1,0,0|1,0,0]=3 875 B9R1.35 O=C1CCC(N1)C(=O)[O-] MCULE-1554748470 [1,0,0,1,0,0|1,0,1]=4 876 B9R1.35 O=C1CCC(O1)C(=O)O MCULE-1992756541 [1,0,0,1,0,0|0,0,0]=2 877 B9R1.35 O=C1CCC(S1)C(=O)O MCULE-8929436839 [1,0,0,1,0,0|0,1,0]=3 878 B9R1.35 O=C1CC[C@@H](C1)C(=O)O MCULE-1554776363 [1,0,0,1,0,0|1,0,0]=3 879 B9R1.35 O=C1CC[C@@H](C1)C(=O)O MCULE-4649943680 [1,0,0,1,0,0|1,0,0]=3 880 B9R1.35 O=C1CC[C@@H](N1)C(=O)O MCULE-5900221010 [1,0,0,1,0,0|1,0,0]=3 881 B9R1.35 O=C1CC[C@@H](N1)C(=O)O MCULE-8170238114 [1,0,0,1,0,0|1,0,0]=3 882 B9R1.35 O=C1CC[C@@H](O1)C(=O)Cl MCULE-2420158992 [1,0,0,1,0,0|1,0,0]=3 883 B9R1.35 O=C1CC[C@@H](O1)C(=O)O MCULE-1446049605 [1,0,0,1,0,0|0,0,0]=2 884 B9R1.35 O=C1CC[C@@H](O1)C(=O)O MCULE-6745317325 [1,0,0,1,0,0|0,0,0]=2 885 B9R1.35 O=C1CC[C@H](C1)C(=O)O MCULE-6597072682 [1,0,0,1,0,0|1,0,0]=3 886 B9R1.35 O=C1CC[C@H](C1)C(=O)O MCULE-7880064966 [1,0,0,1,0,0|1,0,0]=3 887 B9R1.35 O=C1CC[C@H](N1)C(=O)O MCULE-4204877494 [1,0,0,1,0,0|1,0,0]=3 888 B9R1.35 O=C1CC[C@H](N1)C(=O)O MCULE-4908547112 [1,0,0,1,0,0|1,0,0]=3 889 B9R1.35 O=C1CC[C@H](N1)C(=O)O MCULE-6422141688 [1,0,0,1,0,0|1,0,0]=3 890 B9R1.35 O=C1CC[C@H](N1)C(=O)[O-] MCULE-2892153827 [1,0,0,1,0,0|1,0,1]=4 891 B9R1.35 O=C1CC[C@H](N1)C(=O)[O-] MCULE-8083669516 [1,0,0,1,0,0|1,0,1]=4 892 B9R1.35 O=C1CC[C@H](O1)C(=O)Cl MCULE-2111028314 [1,0,0,1,0,0|1,0,0]=3 893 B9R1.35 O=C1CC[C@H](O1)C(=O)O MCULE-5669975621 [1,0,0,1,0,0|0,0,0]=2 894 B9R1.35 O=C1CC[C@H](O1)C(=O)O MCULE-7113736527 [1,0,0,1,0,0|0,0,0]=2 895 B9R1.35 O=C1CC[C@H](S1)C(=O)O MCULE-4843749267 [1,0,0,1,0,0|0,1,0]=3 896 B9R1.35 O=C1CNC(C1)C(=O)O MCULE-7418065190 [1,0,0,1,0,0|2,0,0]=4 897 B9R1.35 O=C1CNC(C1)C(=O)O MCULE-7697956784 [1,0,0,1,0,0|2,0,0]=4 898 B9R1.35 O=C1CNC(C1)C(=O)O MCULE-9520720032 [1,0,0,1,0,0|2,0,0]=4 899 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-2573903934 [1,0,0,1,0,0|2,0,0]=4 900 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-3585746586 [1,0,0,1,0,0|2,0,0]=4 901 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-4771747932 [1,0,0,1,0,0|2,0,0]=4 902 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-4795592072 [1,0,0,1,0,0|2,0,0]=4 903 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-6928857625 [1,0,0,1,0,0|2,0,0]=4 904 B9R1.35 O=C1COC(C1)C(=O)O MCULE-4720798204 [1,0,0,1,0,0|2,0,0]=4 905 B9R1.35 O=C1CSC(C1)C(=O)O MCULE-3309649635 [1,0,0,1,0,0|2,0,0]=4 906 B9R1.35 O=C1C[C@@H](CN1)C(=O)O MCULE-5673992530 [1,0,0,1,0,0|2,0,0]=4 907 B9R1.35 O=C1C[C@@H](CN1)C(=O)O MCULE-8443757903 [1,0,0,1,0,0|2,0,0]=4 908 B9R1.35 O=C1C[C@H](CN1)C(=O)O MCULE-1024601569 [1,0,0,1,0,0|2,0,0]=4 909 B9R1.35 O=C1C[C@H](CN1)C(=O)O MCULE-4280238532 [1,0,0,1,0,0|2,0,0]=4 910 B9R1.35 O=C1NC(CO1)C(=O)O MCULE-5946769187 [1,0,0,1,0,0|2,0,0]=4 911 B9R1.35 O=C1NC(CS1)C(=O)O MCULE-4574359237 [1,0,0,1,0,0|2,0,0]=4 912 B9R1.35 O=C1NCC(N1)C(=O)O MCULE-5872947769 [1,0,0,1,0,0|2,0,0]=4 913 B9R1.35 O=C1NCC(O1)C(=O)O MCULE-2773613806 [1,0,0,1,0,0|1,0,0]=3 914 B9R1.35 O=C1NC[C@@H](N1)C(=O)O MCULE-3499982275 [1,0,0,1,0,0|2,0,0]=4 915 B9R1.35 O=C1NC[C@@H](N1)C(=O)O MCULE-9995046216 [1,0,0,1,0,0|2,0,0]=4 916 B9R1.35 O=C1NC[C@H](N1)C(=O)O MCULE-2524102915 [1,0,0,1,0,0|2,0,0]=4 917 B9R1.35 O=C1NC[C@H](N1)C(=O)O MCULE-5992511798 [1,0,0,1,0,0|2,0,0]=4 918 B9R1.35 O=C1NC[C@H](O1)C(=O)O MCULE-5972751457 [1,0,0,1,0,0|1,0,0]=3 919 B9R1.35 O=C1NC[C@H](O1)C(=O)O MCULE-6879191654 [1,0,0,1,0,0|1,0,0]=3 920 B9R1.35 O=C1N[C@@H](CO1)C(=O)O MCULE-2786614278 [1,0,0,1,0,0|2,0,0]=4 921 B9R1.35 O=C1N[C@@H](CO1)C(=O)O MCULE-8589745511 [1,0,0,1,0,0|2,0,0]=4 922 B9R1.35 O=C1N[C@@H](CS1)C(=O)O MCULE-8232416107 [1,0,0,1,0,0|2,0,0]=4 923 B9R1.35 O=C1N[C@@H](CS1)C(=O)O MCULE-9439896780 [1,0,0,1,0,0|2,0,0]=4 924 B9R1.35 O=C1N[C@H](CO1)C(=O)O MCULE-3716829138 [1,0,0,1,0,0|2,0,0]=4 925 B9R1.35 O=C1N[C@H](CO1)C(=O)O MCULE-9300998688 [1,0,0,1,0,0|2,0,0]=4 926 B9R1.35 O=C1N[C@H](CS1)C(=O)O MCULE-3120744944 [1,0,0,1,0,0|2,0,0]=4 927 B9R1.35 O=C1OCC(O1)C(=O)O MCULE-2772637927 [1,0,0,1,0,0|1,0,0]=3 928 B9R1.49 O=C1CCCC(=O)NC1 MCULE-4912384035 [1,0,0,1,0,0|2,0,0]=4 929 B9R1.161 NC(=O)C1CC1C(=O)O MCULE-6146043873 [1,0,0,1,0,0|1,0,0]=3 930 B9R1.161 O=C(O)C1CC1C(=O)O MCULE-5636831869 [1,0,0,1,0,0|0,0,0]=2 931 B9R1.161 O=C(O)C1CC1N(=O)=O MCULE-4711426088 [1,0,0,1,0,0|1,0,1]=4 932 B9R1.161 O=C(O)C1OC1C(=O)O MCULE-2308875813 [1,0,0,1,0,0|1,0,0]=3 933 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O MCULE-2176178577 [1,0,0,1,0,0|0,0,0]=2 934 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O MCULE-7341169681 [1,0,0,1,0,0|0,0,0]=2 935 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O MCULE-9766210553 [1,0,0,1,0,0|0,0,0]=2 936 B9R1.161 O=C(O)[C@@H]1O[C@H]1C(=O)O MCULE-2854301838 [1,0,0,1,0,0|1,0,0]=3 937 B9R1.161 O=C(O)[C@@H]1O[C@H]1C(=O)O MCULE-7193163448 [1,0,0,1,0,0|1,0,0]=3 938 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(=O)O MCULE-8230558967 [1,0,0,1,0,0|0,0,0]=2 939 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(=O)O MCULE-9433538416 [1,0,0,1,0,0|0,0,0]=2 940 B9R1.161 O=C(O)[C@H]1C[C@@H]1[N+](=O)[O-] MCULE-1350888359 [1,0,0,1,0,0|1,0,1]=4 941 B9R1.161 O=C(O)[C@H]1C[C@H]1C(=O)O MCULE-4280807741 [1,0,0,1,0,0|0,0,0]=2 942 B9R1.161 O=C(O)[C@H]1O[C@H]1C(=O)O MCULE-6088596771 [1,0,0,1,0,0|1,0,0]=3 943 B9R1.166 O=C(O)C1CCS1(=O)=O MCULE-9812910264 [1,0,0,1,0,0|1,0,1]=4 944 B9R1.152 C=C1CC(C1)(O)C(=O)O MCULE-9531189314 [0,0,0,1,1,0|2,0,0]=4 945 B9R1.152 CC1(CC(=O)C1)C(=O)O MCULE-5766836727 [0,0,0,1,1,0|2,0,0]=4 946 B9R1.152 O=C(O)C1(CC(C1)O)O MCULE-4321795643 [0,0,0,1,1,0|1,0,1]=4 947 B9R1.152 O=C(O)[C@@]1(C[C@@H](C1)O)O MCULE-3005775021 [0,0,0,1,1,0|1,0,1]=4 948 B9R1.152 O=C(O)[C@@]1(C[C@H](C1)O)O MCULE-2152193030 [0,0,0,1,1,0|1,0,1]=4 949 B11R1.20 O=C(O)CC1CCC(=O)CC1 MCULE-2016363878 [0,0,0,1,0,1|2,0,0]=4 950 B11R1.20 O=C(O)CC1CCC(=O)NC1 MCULE-8185955859 [0,0,0,1,0,1|2,0,0]=4 951 B11R1.75 O=C(O)CCC1CCC(=O)C1 MCULE-4974585357 [0,0,0,1,0,1|2,0,0]=4 952 B11R1.167 CC1=NC(C(CN1)O)C(=O)O MCULE-2175075890 [0,0,0,1,0,1|2,0,0]=4 953 B11R1.167 CC1=N[C@@H]([C@H](CN1)O)C(=O)O MCULE-6274285156 [0,0,0,1,0,1|2,0,0]=4 954 B11R1.740 O=C(O)CC1CC1CC(=O)O MCULE-8348402050 [0,0,0,1,0,1|1,0,0]=3 955 B11R1.166 CC1CC(=O)CCC1C(=O)O MCULE-7852085763 [0,1,0,1,0,0|2,0,0]=4 956 B11R1.166 C[C@@H]1CC(=O)CC[C@H]1C(=O)O MCULE-2460783843 [0,1,0,1,0,0|2,0,0]=4 957 B11R1.166 C[C@@H]1CC(=O)CC[C@H]1C(=O)O MCULE-7956491903 [0,1,0,1,0,0|2,0,0]=4 958 B11R1.166 C[C@H]1CC(=O)CC[C@H]1C(=O)O MCULE-3967440664 [0,1,0,1,0,0|2,0,0]=4 959 B11R1.166 C[C@H]1CC(=O)CC[C@H]1C(=O)O MCULE-5142454558 [0,1,0,1,0,0|2,0,0]=4 960 B11R1.314 NC(C(=O)O)C1CC(=NO1)Cl MCULE-6867984598 [0,1,0,1,0,0|2,0,0]=4 961 B11R1.314 N[C@H](C(=O)O)[C@@H]1CC(=NO1)Cl MCULE-8014869234 [0,1,0,1,0,0|2,0,0]=4 962 B11R1.314 N[C@H](C(=O)O)[C@@H]1CC(=NO1)Cl MCULE-8912888459 [0,1,0,1,0,0|2,0,0]=4 963 B11R1.314 [C@H]1(CC(=NO1)Cl)[C@H](N)C(=O)O MCULE-3772225791 [0,1,0,1,0,0|2,0,0]=4 964 B11R1.672 C[C@H](O)[C@H]1OC(=O)[C@H]([C@@H]1O)O MCULE-7572552589 [0,1,0,1,0,0|1,0,1]=4 965 B11R1.704 C1(CC1C(=O)O)C(N)C(=O)O MCULE-4575165023 [0,1,0,1,0,0|1,0,0]=3 966 B11R1.704 N[C@H](C(=O)O)[C@H]1C[C@H]1C(=O)O MCULE-2251690284 [0,1,0,1,0,0|1,0,0]=3 967 B11R1.704 [C@@H]1(C[C@@H]1C(=O)O)[C@H](N)C(=O)O MCULE-9452045165 [0,1,0,1,0,0|1,0,0]=3 968 B11R1.704 [C@H]1(C[C@@H]1C(=O)O)[C@H](N)C(=O)O MCULE-8026317060 [0,1,0,1,0,0|1,0,0]=3 969 B11R1.39 COC(=O)CC1=NOC(=O)C1 MCULE-4251427294 [0,1,0,1,0,0|1,0,1]=4 970 B11R1.39 COC(=O)CC1CCC(=O)C1 MCULE-1837052174 [0,1,0,1,0,0|2,0,0]=4 971 B11R1.39 COC(=O)CC1CNC(=O)C1 MCULE-3287539263 [0,1,0,1,0,0|2,0,0]=4 972 B11R1.39 COC(=O)C[C@@H]1CCC(=O)C1 MCULE-7623889754 [0,1,0,1,0,0|2,0,0]=4 973 B11R1.39 COC(=O)C[C@H]1CCC(=O)C1 MCULE-2951837540 [0,1,0,1,0,0|2,0,0]=4 974 B11R1.43 O=C(O)CC1CCC(=NO)C1 MCULE-9991838441 [0,1,0,1,0,0|2,0,0]=4 975 B11R1.80 CN1CC(CC1=O)CC(=O)O MCULE-3885249901 [0,1,0,1,0,0|2,0,0]=4 976 B11R1.157 O=C(O)CC1CCCC(=O)C1 MCULE-2070450942 [0,1,0,1,0,0|2,0,0]=4 977 B11R1.157 O=C(O)CC1CCNC(=O)C1 MCULE-3498688720 [0,1,0,1,0,0|2,0,0]=4 978 B11R1.157 O=C(O)CC1CCNC(=O)C1 MCULE-8598228573 [0,1,0,1,0,0|2,0,0]=4 979 B11R1.157 O=C(O)CN1CCOC(=O)C1 MCULE-8468609722 [0,1,0,1,0,0|2,0,0]=4 980 B11R1.849 COC(=O)[C@@H]1C[C@H]1CC(=O)O MCULE-2958186568 [0,1,0,1,0,0|1,0,0]=3 981 B11R1.849 COC(=O)[C@@H]1C[C@H]1CC(=O)O MCULE-6300691450 [0,1,0,1,0,0|1,0,0]=3 982 B11R1.933 O=C(O)CC1(CC1)CC(=O)O MCULE-2240773943 [0,1,0,1,0,0|1,0,0]=3 983 B11R1.732 CC1(C(C1C(=O)O)C(=O)N)C MCULE-5059635043 [0,1,0,1,0,0|2,0,0]=4 984 B11R1.732 CC1(C(C1C(=O)O)C(=O)O)C MCULE-7677624380 [0,1,0,1,0,0|1,0,0]=3 985 B11R1.732 O=C(O)[C@@H]1[C@@H](C1(Cl)Cl)C(=O)O MCULE-3895743291 [0,1,0,1,0,0|1,0,0]=3 986 B11R2.530 O=C(O)C1C2C1C(=O)CC2 MCULE-6727222040 [0,0,0,2,0,0|2,0,0]=4 987 B7R0.5 C#CCC(O)C(=O)O MCULE-4988425198 [1,0,0,0,1,0|1,0,1]=4 988 B7R0.5 C=CCC(C)C(=O)O MCULE-2912410432 [1,0,0,0,1,0|2,0,0]=4 989 B7R0.5 C=CCC(N)C(=O)O MCULE-1550468430 [1,0,0,0,1,0|2,0,0]=4 990 B7R0.5 C=CCC(N)C(=O)O MCULE-1783682768 [1,0,0,0,1,0|2,0,0]=4 991 B7R0.5 C=CCC(N)C(=O)O MCULE-8721864064 [1,0,0,0,1,0|2,0,0]=4 992 B7R0.5 C=CCC(N)C(=O)O MCULE-9091562338 [1,0,0,0,1,0|2,0,0]=4 993 B7R0.5 C=CCC(O)C(=O)O MCULE-6418899544 [1,0,0,0,1,0|1,0,0]=3 994 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-3817126030 [1,0,0,0,1,0|2,0,0]=4 995 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-5479618260 [1,0,0,0,1,0|2,0,0]=4 996 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-6719393730 [1,0,0,0,1,0|2,0,0]=4 997 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-7577627870 [1,0,0,0,1,0|2,0,0]=4 998 B7R0.5 C=CC[C@@H](O)C(=O)O MCULE-4103471826 [1,0,0,0,1,0|1,0,0]=3 999 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-2073484196 [1,0,0,0,1,0|2,0,0]=4 1000 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-3267648941 [1,0,0,0,1,0|2,0,0]=4 1001 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-4183531139 [1,0,0,0,1,0|2,0,0]=4 1002 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-8225762047 [1,0,0,0,1,0|2,0,0]=4 1003 B7R0.5 C=CC[C@H](O)C(=O)O MCULE-8230827617 [1,0,0,0,1,0|1,0,0]=3 1004 B7R0.5 CC(CCO)C(=O)O MCULE-9724304469 [1,0,0,0,1,0|1,0,1]=4 1005 B7R0.5 CC(NC=O)C(=O)O MCULE-7277951464 [1,0,0,0,1,0|2,0,0]=4 1006 B7R0.5 CC=CC(O)C(=O)O MCULE-5249095255 [1,0,0,0,1,0|1,0,1]=4 1007 B7R0.5 CCCC(O)C(=O)O MCULE-8533446195 [1,0,0,0,1,0|1,0,1]=4 1008 B7R0.5 CCCC(O)C(=O)O MCULE-9586449213 [1,0,0,0,1,0|1,0,1]=4 1009 B7R0.5 CCC[C@@H](O)C(=O)O MCULE-2742119346 [1,0,0,0,1,0|1,0,1]=4 1010 B7R0.5 CCC[C@H](O)C(=O)O MCULE-6533548138 [1,0,0,0,1,0|1,0,1]=4 1011 B7R0.5 CCC[C@H](O)C(=O)O MCULE-8321722254 [1,0,0,0,1,0|1,0,1]=4 1012 B7R0.5 COCC(O)C(=O)O MCULE-3185498869 [1,0,0,0,1,0|2,0,0]=4 1013 B7R0.5 C[C@H](NC=O)C(=O)O MCULE-3824082361 [1,0,0,0,1,0|2,0,0]=4 1014 B7R0.5 C[C@H](NC=O)C(=O)O MCULE-5248110352 [1,0,0,0,1,0|2,0,0]=4 1015 B7R0.5 NC(CCO)C(=O)O MCULE-1744838687 [1,0,0,0,1,0|1,0,1]=4 1016 B7R0.5 NC(CCO)C(=O)O MCULE-9642233758 [1,0,0,0,1,0|1,0,1]=4 1017 B7R0.5 NC(CNO)C(=O)O MCULE-2332662988 [1,0,0,0,1,0|2,0,0]=4 1018 B7R0.5 NCCC(O)C(=O)O MCULE-3670080484 [1,0,0,0,1,0|1,0,1]=4 1019 B7R0.5 NCCC(O)C(=O)O MCULE-6540935279 [1,0,0,0,1,0|1,0,1]=4 1020 B7R0.5 NCC[C@@H](O)C(=O)O MCULE-9726912888 [1,0,0,0,1,0|1,0,1]=4 1021 B7R0.5 NCC[C@H](O)C(=O)O MCULE-3296998083 [1,0,0,0,1,0|1,0,1]=4 1022 B7R0.5 NCC[C@H](O)C(=O)O MCULE-7901866019 [1,0,0,0,1,0|1,0,1]=4 1023 B7R0.5 N[C@@H](CCO)C(=O)O MCULE-2370353784 [1,0,0,0,1,0|1,0,1]=4 1024 B7R0.5 N[C@@H](CCO)C(=O)O MCULE-4861747928 [1,0,0,0,1,0|1,0,1]=4 1025 B7R0.5 N[C@H](CCO)C(=O)O MCULE-8005652100 [1,0,0,0,1,0|1,0,1]=4 1026 B7R0.5 N[C@H](CCO)C(=O)O MCULE-8613625039 [1,0,0,0,1,0|1,0,1]=4 1027 B7R0.5 O=C(O)C(O)CCO MCULE-9096271794 [1,0,0,0,1,0|0,0,1]=3 1028 B7R0.6 C=C(Br)CCC(=O)O MCULE-5257916083 [1,0,0,0,1,0|2,0,0]=4 1029 B7R0.6 C=C(C)CCC(=O)O MCULE-8738532812 [1,0,0,0,1,0|2,0,0]=4 1030 B7R0.6 C=C(Cl)CCC(=O)O MCULE-8617886776 [1,0,0,0,1,0|2,0,0]=4 1031 B7R0.6 CC(=O)CCC(=O)C MCULE-3166810473 [1,0,0,0,1,0|2,0,0]=4 1032 B7R0.6 CC(=O)CCC(=O)N MCULE-8943258659 [1,0,0,0,1,0|2,0,0]=4 1033 B7R0.6 CC(=O)CCC(=O)O MCULE-1392778065 [1,0,0,0,1,0|1,0,0]=3 1034 B7R0.6 CC(=O)CCC(=O)[O-] MCULE-4975344808 [1,0,0,0,1,0|1,0,1]=4 1035 B7R0.6 CC(=O)NCC(=O)O MCULE-5811325186 [1,0,0,0,1,0|2,0,0]=4 1036 B7R0.6 CC(=O)OCC(=O)O MCULE-6837320824 [1,0,0,0,1,0|2,0,0]=4 1037 B7R0.6 CC(=O)SCC(=O)O MCULE-1974657694 [1,0,0,0,1,0|2,0,0]=4 1038 B7R0.6 CC(O)CCC(=O)O MCULE-6352217997 [1,0,0,0,1,0|1,0,1]=4 1039 B7R0.6 CS(=O)CCC(=O)O MCULE-8243349779 [1,0,0,0,1,0|2,0,0]=4 1040 B7R0.6 NC(=O)CCC(=O)N MCULE-2107382817 [1,0,0,0,1,0|2,0,0]=4 1041 B7R0.6 NC(=O)CCC(=O)O MCULE-5813999826 [1,0,0,0,1,0|1,0,0]=3 1042 B7R0.6 NC(=O)NCC(=O)O MCULE-7640310218 [1,0,0,0,1,0|2,0,0]=4 1043 B7R0.6 NC(=O)SCC(=O)O MCULE-2409074226 [1,0,0,0,1,0|2,0,0]=4 1044 B7R0.6 O=C(Cl)CCC(=O)Cl MCULE-6220065982 [1,0,0,0,1,0|2,0,0]=4 1045 B7R0.6 O=C(O)/C=C/C(=O)O MCULE-3549142744 [1,0,0,0,1,0|0,0,2]=4 1046 B7R0.6 O=C(O)/C=C/C(=O)O MCULE-5263906793 [1,0,0,0,1,0|0,0,2]=4 1047 B7R0.6 O=C(O)/C=C\C(=O)O MCULE-1113222985 [1,0,0,0,1,0|0,0,2]=4 1048 B7R0.6 O=C(O)C#CC(=O)O MCULE-3952041688 [1,0,0,0,1,0|0,0,2]=4 1049 B7R0.6 O=C(O)C=CC(=O)O MCULE-5329407890 [1,0,0,0,1,0|0,0,2]=4 1050 B7R0.6 O=C(O)C=CC(=O)O MCULE-7492596773 [1,0,0,0,1,0|0,0,2]=4 1051 B7R0.6 O=C(O)C=CC(=O)O MCULE-8076793268 [1,0,0,0,1,0|0,0,2]=4 1052 B7R0.6 O=C(O)C=CC(=O)O MCULE-9488315563 [1,0,0,0,1,0|0,0,2]=4 1053 B7R0.6 O=C(O)C=CC(=O)O MCULE-9920754312 [1,0,0,0,1,0|0,0,2]=4 1054 B7R0.6 O=C(O)CCB(O)O MCULE-9351023222 [1,0,0,0,1,0|1,0,1]=4 1055 B7R0.6 O=C(O)CCC(=O)O MCULE-1233211613 [1,0,0,0,1,0|0,0,0]=2 1056 B7R0.6 O=C(O)CCC(=O)O MCULE-5889111640 [1,0,0,0,1,0|0,0,0]=2 1057 B7R0.6 O=C(O)CCN(=O)=O MCULE-1879231817 [1,0,0,0,1,0|1,0,1]=4 1058 B7R0.6 O=C(O)N=NC(=O)O MCULE-6858626658 [1,0,0,0,1,0|2,0,0]=4 1059 B7R0.6 O=C([O-])CCC(=O)O MCULE-9149947862 [1,0,0,0,1,0|0,0,1]=3 1060 B7R0.6 O=C([O-])CCC(=O)[O-] MCULE-6304944077 [1,0,0,0,1,0|0,0,2]=4 1061 B7R0.16 C=C(C(=O)O)C(=O)O MCULE-7540749901 [0,0,0,0,2,0|1,0,1]=4 1062 B7R0.16 CC(C(=O)O)C(=O)O MCULE-7232226851 [0,0,0,0,2,0|1,0,0]=3 1063 B7R0.16 C[C@@H](O)[C@H](O)C(=O)O MCULE-9383777855 [0,0,0,0,2,0|1,0,1]=4 1064 B7R0.16 NC(C(=O)O)C(=O)O MCULE-6118746267 [0,0,0,0,2,0|1,0,0]=3 1065 B7R0.16 O=C(O)C(=O)C(=O)O MCULE-9031084199 [0,0,0,0,2,0|0,0,2]=4 1066 B7R0.16 O=C(O)C(Cl)C(=O)O MCULE-9776364495 [0,0,0,0,2,0|1,0,0]=3 1067 B7R0.16 O=C(O)C(F)C(=O)O MCULE-9969055570 [0,0,0,0,2,0|1,0,0]=3 1068 B7R0.16 O=C(O)C(O)C(=O)O MCULE-4232935518 [0,0,0,0,2,0|0,0,0]=2 1069 B9R0.55 C=C(Br)CCCCC(=O)O MCULE-9413125657 [1,0,0,0,0,1|2,0,0]=4 1070 B9R0.55 C=C(C)CCCCC(=O)O MCULE-2837812117 [1,0,0,0,0,1|2,0,0]=4 1071 B9R0.55 C=C(Cl)CCCCC(=O)O MCULE-6161023222 [1,0,0,0,0,1|2,0,0]=4 1072 B9R0.55 CC(=CCCCC(=O)O)C MCULE-3753028092 [1,0,0,0,0,1|2,0,0]=4 1073 B9R0.55 CC(=O)CCCCC(=O)C MCULE-9230576763 [1,0,0,0,0,1|2,0,0]=4 1074 B9R0.55 CC(=O)CCCCC(=O)O MCULE-6216368990 [1,0,0,0,0,1|1,0,0]=3 1075 B9R0.55 CC(=O)CCCOC(=O)C MCULE-1256846745 [1,0,0,0,0,1|2,0,0]=4 1076 B9R0.55 CC(=O)NCCCC(=O)O MCULE-3194803041 [1,0,0,0,0,1|1,0,0]=3 1077 B9R0.55 CC(=O)OCCCC(=O)O MCULE-3807110432 [1,0,0,0,0,1|1,0,0]=3 1078 B9R0.55 CC(=O)SCCCC(=O)O MCULE-2047230148 [1,0,0,0,0,1|1,0,0]=3 1079 B9R0.55 N=C(N)NCCCC(=O)O MCULE-6633038701 [1,0,0,0,0,1|2,0,0]=4 1080 B9R0.55 NC(=O)CCCCC(=O)N MCULE-7701704987 [1,0,0,0,0,1|2,0,0]=4 1081 B9R0.55 NC(=O)CCCCC(=O)O MCULE-6793890356 [1,0,0,0,0,1|1,0,0]=3 1082 B9R0.55 NC(=O)CCNCC(=O)N MCULE-5287507547 [1,0,0,0,0,1|2,0,0]=4 1083 B9R0.55 NC(=O)CSCCC(=O)O MCULE-5092203912 [1,0,0,0,0,1|1,0,0]=3 1084 B9R0.55 NC(=O)NCCCC(=O)O MCULE-4986363363 [1,0,0,0,0,1|1,0,0]=3 1085 B9R0.55 O=C(Cl)CCCCC(=O)Cl MCULE-9846069486 [1,0,0,0,0,1|2,0,0]=4 1086 B9R0.55 O=C(O)/C=C/CCC(=O)O MCULE-8825957011 [1,0,0,0,0,1|0,0,1]=3 1087 B9R0.55 O=C(O)C/C=C/CC(=O)O MCULE-6650386294 [1,0,0,0,0,1|0,0,1]=3 1088 B9R0.55 O=C(O)C=CCCC(=O)O MCULE-7591781771 [1,0,0,0,0,1|0,0,1]=3 1089 B9R0.55 O=C(O)CC=CCC(=O)O MCULE-4878757775 [1,0,0,0,0,1|0,0,1]=3 1090 B9R0.55 O=C(O)CCCCC(=O)O MCULE-1336748609 [1,0,0,0,0,1|0,0,0]=2 1091 B9R0.55 O=C(O)CCCCC(=O)O MCULE-3664126855 [1,0,0,0,0,1|0,0,0]=2 1092 B9R0.55 O=C(O)CCCCC(=O)O MCULE-6331125687 [1,0,0,0,0,1|0,0,0]=2 1093 B9R0.55 O=C(O)CCCCC(=O)O MCULE-7006255210 [1,0,0,0,0,1|0,0,0]=2 1094 B9R0.55 O=C(O)CCCCC(=O)O MCULE-7155960751 [1,0,0,0,0,1|0,0,0]=2 1095 B9R0.55 O=C(O)CNNCC(=O)O MCULE-8753369145 [1,0,0,0,0,1|1,0,0]=3 1096 B9R0.55 O=C(O)CSSCC(=O)O MCULE-1938189832 [1,0,0,0,0,1|1,0,0]=3 1097 B9R0.55 O=C(O)CSSCC(=O)O MCULE-2878758153 [1,0,0,0,0,1|1,0,0]=3 1098 B9R0.55 O=C([O-])CCCCC(=O)O MCULE-3513522562 [1,0,0,0,0,1|0,0,1]=3 1099 B9R0.55 O=C([O-])CCCCC(=O)O MCULE-5232497586 [1,0,0,0,0,1|0,0,1]=3 1100 B9R0.55 O=C([O-])CCCCC(=O)O MCULE-9724137457 [1,0,0,0,0,1|0,0,1]=3 1101 B9R0.55 O=C([O-])CCCCC(=O)[O-] MCULE-3830406639 [1,0,0,0,0,1|0,0,2]=4 1102 B9R0.55 O=C([O-])CCCCC(=O)[O-] MCULE-8364635624 [1,0,0,0,0,1|0,0,2]=4 1103 B11R0.85 CC(=O)OCC(O)COC(=O)C MCULE-7144555655 [0,0,0,0,0,2|2,0,0]=4 1104 B11R0.85 CN(CCC(=O)O)CCC(=O)O MCULE-6422087692 [0,0,0,0,0,2|2,0,0]=4 1105 B11R0.85 CN(CCC(=O)O)CCC(=O)O MCULE-9753433782 [0,0,0,0,0,2|2,0,0]=4 1106 B11R0.85 NC(CCC(=O)O)CCC(=O)O MCULE-1718560114 [0,0,0,0,0,2|1,0,0]=3 1107 B11R0.85 O=C(O)CCC(=O)CCC(=O)O MCULE-2914369907 [0,0,0,0,0,2|0,0,2]=4 1108 B11R0.85 O=C(O)CCC(=O)NCC(=O)O MCULE-7360241516 [0,0,0,0,0,2|0,0,2]=4 1109 B11R0.85 O=C(O)CCS(=O)CCC(=O)O MCULE-6732412360 [0,0,0,0,0,2|1,0,1]=4 1110 B11R0.85 O=C(O)CSC(=S)SCC(=O)O MCULE-1853026961 [0,0,0,0,0,2|0,1,1]=4