0 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O 06001 [0,0,0,0,0,0|2,0,0]=2 1 B9R0.7 CC(=O)OC[C@H](N)C(=O)O 09096 [0,0,0,0,0,0|2,0,0]=2 2 B9R0.7 CC(=O)SC[C@@H](C)C(=O)O 05381 [0,0,0,0,0,0|3,0,0]=3 3 B9R0.7 CC(C)CC[C@@H](N)C(=O)O 14266 [0,0,0,0,0,0|2,0,1]=3 4 B9R0.7 CC(C)CC[C@H](N)C(=O)O 07179 [0,0,0,0,0,0|2,0,1]=3 5 B9R0.7 CS(=O)CC[C@H](N)C(=O)O 03387 [0,0,0,0,0,0|2,0,0]=2 6 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O 00156 [0,0,0,0,0,0|1,0,0]=1 7 B9R0.7 NC(=O)CC[C@@H](N)C(N)=O 05955 [0,0,0,0,0,0|2,0,0]=2 8 B9R0.7 NC(=O)CC[C@H](N)C(=O)O 00157 [0,0,0,0,0,0|1,0,0]=1 9 B9R0.7 NC(=O)CC[C@H](N)C(=O)O 29801 [0,0,0,0,0,0|1,0,0]=1 10 B9R0.7 NC(=O)CC[C@H](N)C(=O)O 33066 [0,0,0,0,0,0|1,0,0]=1 11 B9R0.7 NC(=O)CC[C@H](N)C(N)=O 04430 [0,0,0,0,0,0|2,0,0]=2 12 B9R0.7 NC(=O)NC[C@H](N)C(=O)O 07092 [0,0,0,0,0,0|2,0,0]=2 13 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O 04427 [0,0,0,0,0,0|1,0,0]=1 14 B9R0.7 NC(=O)[C@H](N)CCC(=O)O 05966 [0,0,0,0,0,0|1,0,0]=1 15 B9R0.7 NC(CCC(=O)O)C(=O)O 00349 [0,0,0,0,0,0|0,0,0]=0 16 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O 00161 [0,0,0,0,0,0|0,0,0]=0 17 B9R0.7 N[C@H](CCC(=O)O)C(=O)O 00155 [0,0,0,0,0,0|0,0,0]=0 18 B9R0.7 O=C(O)CCC(=O)C(=O)O 00070 [0,0,0,0,0,0|1,0,1]=2 19 B9R0.7 O=C(O)CCC(=O)C(=O)O 03561 [0,0,0,0,0,0|1,0,1]=2 20 B9R0.7 O=C([O-])CCC(=O)C(=O)[O-] 00140 [0,0,0,0,0,0|1,0,3]=4 21 B9R0.7 O=C([O-])CCC(=O)C(=O)[O-] 00196 [0,0,0,0,0,0|1,0,3]=4 22 B8R0.8 CCCCC(N)C(=O)O 02004 [1,0,0,0,0,0|1,0,1]=3 23 B8R0.8 CCCCC(N)C(N)=O 12366 [1,0,0,0,0,0|2,0,1]=4 24 B8R0.8 CCCC[C@@H](N)C(=O)O 03404 [1,0,0,0,0,0|1,0,1]=3 25 B8R0.8 CCCC[C@H](N)C(=O)O 00353 [1,0,0,0,0,0|1,0,1]=3 26 B8R0.8 CCCC[C@H](N)C(N)=O 16305 [1,0,0,0,0,0|2,0,1]=4 27 B8R0.8 CSCCC(N)C(=O)O 01316 [1,0,0,0,0,0|2,0,0]=3 28 B8R0.8 CSCC[C@@H](N)C(=O)O 00740 [1,0,0,0,0,0|2,0,0]=3 29 B8R0.8 CSCC[C@@H](N)C(=O)[O-] 24268 [1,0,0,0,0,0|2,0,1]=4 30 B8R0.8 CSCC[C@H](N)C(N)=O 03109 [1,0,0,0,0,0|3,0,0]=4 31 B8R0.8 C[Se]CC[C@H](N)C(=O)O 00662 [1,0,0,0,0,0|2,0,0]=3 32 B8R0.8 NCCC[C@@H](N)C(=O)O 00237 [1,0,0,0,0,0|1,0,1]=3 33 B8R0.8 NCCC[C@H](N)C(=O)O 00236 [1,0,0,0,0,0|1,0,1]=3 34 B8R0.8 [N-]=[N+]=NC[C@@H](N)C(=O)O 30460 [1,0,0,0,0,0|3,0,0]=4 35 B8R0.8 [N-]=[N+]=NC[C@H](N)C(=O)O 30459 [1,0,0,0,0,0|3,0,0]=4 36 B8R0.28 CC(=O)NCCC(=O)O 01739 [1,0,0,0,0,0|2,0,0]=3 37 B8R0.28 NC(=O)NCCC(=O)O 07027 [1,0,0,0,0,0|2,0,0]=3 38 B8R0.28 O=C(O)CNCC(=O)O 06898 [1,0,0,0,0,0|1,0,0]=2 39 B8R0.28 O=C(O)O[Pt]OC(=O)O 28783 [1,0,0,0,0,0|3,0,0]=4 40 B10R0.43 CC(C)(CCC(=O)O)C(=O)O 21647 [0,1,0,0,0,0|1,0,0]=2 41 B10R0.43 CC(N)(CCC(=O)O)C(=O)O 21353 [0,1,0,0,0,0|0,0,0]=1 42 B10R0.57 COC(=O)[C@@H](N)CCC(=O)O 03342 [0,1,0,0,0,0|0,0,0]=1 43 B10R0.57 COC(=O)[C@H](N)CCC(=O)O 14940 [0,1,0,0,0,0|0,0,0]=1 44 B10R0.82 COC(=O)CCC(N)C(=O)O 12415 [0,1,0,0,0,0|0,0,0]=1 45 B10R0.82 COC(=O)CC[C@@H](N)C(=O)O 05957 [0,1,0,0,0,0|0,0,0]=1 46 B10R0.82 COC(=O)CC[C@H](N)C(=O)O 06044 [0,1,0,0,0,0|0,0,0]=1 47 B10R0.82 COC(=O)CC[C@H](N)C(N)=O 11409 [0,1,0,0,0,0|1,0,0]=2 48 B10R0.82 NCC(O)CCC(N)C(=O)O 03374 [0,1,0,0,0,0|1,0,1]=3 49 B10R0.84 CN[C@@H](CCC(=O)O)C(=O)O 06345 [0,1,0,0,0,0|0,0,0]=1 50 B10R0.92 CS(=O)(=O)CC[C@H](N)C(=O)O 03386 [0,1,0,0,0,0|1,0,1]=3 51 B10R0.92 NC(CCC(F)(F)F)C(=O)O 28163 [0,1,0,0,0,0|2,0,1]=4 52 B10R0.92 NC(CCS(=O)(=O)O)C(=O)O 21576 [0,1,0,0,0,0|1,0,0]=2 53 B10R0.92 NC(COP(=O)(O)O)C(=O)O 12026 [0,1,0,0,0,0|2,0,0]=3 54 B10R0.92 N[C@@H](COP(=O)(O)O)C(=O)O 07085 [0,1,0,0,0,0|2,0,0]=3 55 B10R0.92 N[C@@H](COS(=O)(=O)O)C(=O)O 07087 [0,1,0,0,0,0|2,0,0]=3 56 B10R0.92 N[C@H](COP(=O)(O)O)C(=O)O 03413 [0,1,0,0,0,0|2,0,0]=3 57 B10R0.93 N[C@@H](C[C@@H](O)C(=O)O)C(=O)O 07066 [0,1,0,0,0,0|0,0,0]=1 58 B10R0.93 N[C@@H](C[C@H](O)C(=O)O)C(=O)O 07065 [0,1,0,0,0,0|0,0,0]=1 59 B8R0.23 C=C(Br)C[C@@H](N)C(=O)O 16740 [0,0,0,0,1,0|2,0,0]=3 60 B8R0.23 C=C(Br)C[C@H](N)C(=O)O 16741 [0,0,0,0,1,0|2,0,0]=3 61 B8R0.23 C=C(C)C[C@H](N)C(=O)O 05807 [0,0,0,0,1,0|2,0,0]=3 62 B8R0.23 CC(=O)NC(C)C(=O)O 04330 [0,0,0,0,1,0|3,0,0]=4 63 B8R0.23 CC(=O)N[C@@H](C)C(=O)O 02604 [0,0,0,0,1,0|3,0,0]=4 64 B8R0.23 CC(=O)N[C@H](C)C(=O)O 02605 [0,0,0,0,1,0|3,0,0]=4 65 B8R0.23 CC(C)CC(N)C(=O)O 00369 [0,0,0,0,1,0|2,0,1]=4 66 B8R0.23 CC(C)C[C@@H](N)C(=O)O 00199 [0,0,0,0,1,0|2,0,1]=4 67 B8R0.23 CC(C)C[C@H](N)C(=O)O 00200 [0,0,0,0,1,0|2,0,1]=4 68 B8R0.23 CC(C)C[C@H](N)C(=O)O 29817 [0,0,0,0,1,0|2,0,1]=4 69 B8R0.23 CC(C)C[C@H](N)C(=O)O 33065 [0,0,0,0,1,0|2,0,1]=4 70 B8R0.23 CC(C)[C@@H](N)CC(=O)O 31966 [0,0,0,0,1,0|2,0,1]=4 71 B8R0.23 CC(C)[C@H](N)CC(=O)O 12840 [0,0,0,0,1,0|2,0,1]=4 72 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O 12752 [0,0,0,0,1,0|1,0,1]=3 73 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O 31964 [0,0,0,0,1,0|1,0,1]=3 74 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O 31965 [0,0,0,0,1,0|1,0,1]=3 75 B8R0.23 NC(=O)CC(N)C(=O)O 21823 [0,0,0,0,1,0|1,0,0]=2 76 B8R0.23 NC(=O)C[C@@H](N)C(=O)O 00454 [0,0,0,0,1,0|1,0,0]=2 77 B8R0.23 NC(=O)C[C@H](N)C(=O)O 00026 [0,0,0,0,1,0|1,0,0]=2 78 B8R0.23 NC(=O)C[C@H](N)C(=O)O 00464 [0,0,0,0,1,0|1,0,0]=2 79 B8R0.23 NC(=O)C[C@H](N)C(N)=O 05880 [0,0,0,0,1,0|2,0,0]=3 80 B8R0.23 NC(=O)[C@@H](N)CC(=O)O 04418 [0,0,0,0,1,0|1,0,0]=2 81 B8R0.23 NC(=O)[C@@H](N)CC(=O)O 05944 [0,0,0,0,1,0|1,0,0]=2 82 B8R0.23 NC(CC(=O)O)C(=O)O 00626 [0,0,0,0,1,0|0,0,0]=1 83 B8R0.23 N[C@@H](CC(=O)O)C(=O)O 00028 [0,0,0,0,1,0|0,0,0]=1 84 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] 00027 [0,0,0,0,1,0|0,0,1]=2 85 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)O 00794 [0,0,0,0,1,0|0,0,1]=2 86 B8R0.23 N[C@H](CC(=O)O)C(=O)O 00370 [0,0,0,0,1,0|0,0,0]=1 87 B8R0.23 O=C(O)CC(=O)C(=O)O 01460 [0,0,0,0,1,0|1,0,1]=3 88 B8R0.23 O=C(O)CC(O)C(=O)O 21853 [0,0,0,0,1,0|1,0,0]=2 89 B8R0.23 O=C(O)C[C@@H](O)C(=O)O 21933 [0,0,0,0,1,0|1,0,0]=2 90 B8R0.23 O=C(O)C[C@H](O)C(=O)O 01183 [0,0,0,0,1,0|1,0,0]=2 91 B8R0.23 O=C(O)C[C@H](O)C(=O)[O-] 21494 [0,0,0,0,1,0|1,0,1]=3 92 B10R0.96 NC(=O)CC[C@H](N)CC(=O)O 12760 [0,0,0,0,0,1|1,0,0]=2 93 B10R0.96 N[C@@H](CCC(=O)O)CC(=O)O 12761 [0,0,0,0,0,1|0,0,0]=1 94 B10R0.96 N[C@H](CCC(=O)O)CC(=O)O 31967 [0,0,0,0,0,1|0,0,0]=1 95 B10R0.98 CC(=O)NCC[C@H](N)C(=O)O 30484 [0,0,0,0,0,1|1,0,0]=2 96 B10R0.98 NC(CCCC(=O)O)C(=O)O 03290 [0,0,0,0,0,1|0,0,0]=1 97 B10R0.98 N[C@@H](CCCC(=O)O)C(=O)O 00364 [0,0,0,0,0,1|0,0,0]=1 98 B10R0.98 N[C@@H](CSCC(=O)O)C(=O)O 00629 [0,0,0,0,0,1|0,0,0]=1 99 B10R0.98 N[C@H](CCCC(=O)O)C(=O)O 04071 [0,0,0,0,0,1|0,0,0]=1 100 B7R0.4 CNCCCC(=O)O 06613 [2,0,0,0,0,0|2,0,0]=4 101 B7R0.4 NCCCCC(=O)O 06917 [2,0,0,0,0,0|1,0,1]=4 102 B7R0.4 NCCCCC(=O)O 21636 [2,0,0,0,0,0|1,0,1]=4 103 B7R0.4 O=C(O)CCCCBr 22022 [2,0,0,0,0,0|1,0,1]=4 104 B7R0.4 O=C(O)CCCCCl 26912 [2,0,0,0,0,0|1,0,1]=4 105 B7R0.5 C#CCC(N)C(=O)O 07081 [2,0,0,0,0,0|0,0,2]=4 106 B7R0.5 C#CCC(N)C(=O)O 32929 [2,0,0,0,0,0|0,0,2]=4 107 B7R0.5 C#CC[C@@H](N)C(=O)O 05998 [2,0,0,0,0,0|0,0,2]=4 108 B7R0.5 C#CC[C@H](N)C(=O)O 02726 [2,0,0,0,0,0|0,0,2]=4 109 B7R0.5 C#CC[C@H](N)C(=O)O 14298 [2,0,0,0,0,0|0,0,2]=4 110 B7R0.5 C=CCC(N)C(=O)O 14328 [2,0,0,0,0,0|0,0,1]=3 111 B7R0.5 C=CC[C@@H](N)C(=O)O 07440 [2,0,0,0,0,0|0,0,1]=3 112 B7R0.5 C=CC[C@H](N)C(=O)O 07441 [2,0,0,0,0,0|0,0,1]=3 113 B7R0.5 CCCC(N)C(=O)O 06818 [2,0,0,0,0,0|0,0,1]=3 114 B7R0.5 CCC[C@@H](N)C(=O)O 03406 [2,0,0,0,0,0|0,0,1]=3 115 B7R0.5 CCC[C@H](N)C(=O)O 02041 [2,0,0,0,0,0|0,0,1]=3 116 B7R0.5 CCC[C@H](N)C(N)=O 06143 [2,0,0,0,0,0|1,0,1]=4 117 B7R0.5 C[C@H](NC=O)C(=O)O 04404 [2,0,0,0,0,0|2,0,0]=4 118 B7R0.5 N#CC[C@H](N)C(=O)O 03323 [2,0,0,0,0,0|1,0,1]=4 119 B7R0.5 NC(CCO)C(=O)O 01898 [2,0,0,0,0,0|0,0,0]=2 120 B7R0.5 NCCC(N)C(=O)O 21652 [2,0,0,0,0,0|1,0,0]=3 121 B7R0.5 NCCC(O)C(=O)O 23190 [2,0,0,0,0,0|2,0,0]=4 122 B7R0.5 NCC[C@@H](N)C(=O)O 05122 [2,0,0,0,0,0|1,0,0]=3 123 B7R0.5 NCC[C@H](N)C(=O)O 05121 [2,0,0,0,0,0|1,0,0]=3 124 B7R0.5 NCC[C@H](N)C(=O)O 14253 [2,0,0,0,0,0|1,0,0]=3 125 B7R0.5 NCC[C@H](O)C(=O)O 30407 [2,0,0,0,0,0|2,0,0]=4 126 B7R0.5 N[C@@H](CCO)C(=O)O 02051 [2,0,0,0,0,0|0,0,0]=2 127 B7R0.5 N[C@@H](CCS)C(=O)O 21338 [2,0,0,0,0,0|0,1,0]=3 128 B7R0.5 N[C@H](CCO)C(=O)O 04449 [2,0,0,0,0,0|0,0,0]=2 129 B7R0.6 O=C(O)CCC(=O)O 01465 [2,0,0,0,0,0|1,0,1]=4 130 B7R0.6 O=C(O)CCC(=O)O 30165 [2,0,0,0,0,0|1,0,1]=4 131 B9R0.8 CCCCC(N)C(=O)OC 08460 [1,1,0,0,0,0|1,0,1]=4 132 B9R0.8 CCCC[C@@H](N)C(=O)OC 14376 [1,1,0,0,0,0|1,0,1]=4 133 B9R0.8 CCCC[C@H](N)C(=O)OC 03405 [1,1,0,0,0,0|1,0,1]=4 134 B9R0.8 COC(=O)C(N)CCSC 08458 [1,1,0,0,0,0|2,0,0]=4 135 B9R0.8 COC(=O)[C@@H](N)CCCN 06154 [1,1,0,0,0,0|1,0,1]=4 136 B9R0.8 COC(=O)[C@@H](N)CCSC 03105 [1,1,0,0,0,0|2,0,0]=4 137 B9R0.8 COC(=O)[C@H](N)CCSC 03106 [1,1,0,0,0,0|2,0,0]=4 138 B9R0.13 CCCC[C@H](NC)C(=O)O 09614 [1,1,0,0,0,0|1,0,1]=4 139 B9R0.47 CCSCCC(N)C(=O)O 22060 [1,1,0,0,0,0|1,0,1]=4 140 B9R0.47 NCCCCC(N)C(=O)O 01315 [1,1,0,0,0,0|1,0,1]=4 141 B9R0.47 NCCCC[C@@H](N)C(=O)O 00204 [1,1,0,0,0,0|1,0,1]=4 142 B9R0.47 NCCCC[C@@H](N)C(=O)O 21332 [1,1,0,0,0,0|1,0,1]=4 143 B9R0.47 NCCCC[C@H](N)C(=O)O 00203 [1,1,0,0,0,0|1,0,1]=4 144 B9R0.47 NCCCC[C@H](N)C(=O)O 01742 [1,1,0,0,0,0|1,0,1]=4 145 B9R0.47 NCCCC[C@H](N)C(=O)O 07263 [1,1,0,0,0,0|1,0,1]=4 146 B9R0.47 NCCCC[C@H](N)C(=O)O 31938 [1,1,0,0,0,0|1,0,1]=4 147 B9R0.47 NCCSC[C@H](N)C(=O)O 03295 [1,1,0,0,0,0|1,0,1]=4 148 B9R0.47 NC\C=C\CC(N)C(=O)O 16351 [1,1,0,0,0,0|1,0,1]=4 149 B9R0.47 [N-]=[N+]=NCC[C@@H](N)C(=O)O 30457 [1,1,0,0,0,0|2,0,0]=4 150 B9R0.47 [N-]=[N+]=NCC[C@H](N)C(=O)O 26430 [1,1,0,0,0,0|2,0,0]=4 151 B9R0.53 CC(CC(=O)O)CC(=O)O 29812 [1,1,0,0,0,0|0,0,0]=2 152 B9R0.53 NC(CC(=O)O)CC(=O)O 12949 [1,1,0,0,0,0|0,0,0]=2 153 B9R0.56 NS(=O)(=O)CCCC(=O)O 04327 [1,1,0,0,0,0|1,0,1]=4 154 B9R0.39 CNC(CC(=O)O)C(=O)O 12425 [0,1,0,0,1,0|0,0,0]=2 155 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O 06337 [0,1,0,0,1,0|0,0,0]=2 156 B9R0.39 CN[C@H](CC(=O)O)C(=O)O 06339 [0,1,0,0,1,0|0,0,0]=2 157 B9R0.57 N[C@@H](CS(=O)(=O)O)C(=O)O 21698 [0,1,0,0,1,0|1,0,0]=3 158 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O 24476 [0,1,0,0,1,0|1,0,0]=3 159 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O 31896 [0,1,0,0,1,0|1,0,0]=3 160 B9R0.79 O=C(O)[C@H](Br)[C@H](Br)C(=O)O 27785 [0,1,0,0,1,0|1,0,0]=3 161 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O 01635 [0,1,0,0,1,0|1,0,0]=3 162 B9R0.79 O=C([O-])C(O)C(O)C(=O)O 01439 [0,1,0,0,1,0|1,0,1]=4 163 B11R0.109 COC(=O)CCC[C@H](N)C(=O)O 06275 [0,1,0,0,0,1|0,0,0]=2 164 B11R0.109 N=C(NO)NCC[C@H](N)C(=O)O 07067 [0,1,0,0,0,1|1,0,0]=3 165 B11R0.308 C[C@@H](OP(=O)(O)O)[C@H](N)C(=O)O 16342 [0,2,0,0,0,0|2,0,0]=4 166 B11R0.120 COC(=O)CCC(N)C(=O)OC 23273 [0,2,0,0,0,0|0,0,0]=2 167 B11R0.120 COC(=O)CC[C@@H](N)C(=O)OC 03067 [0,2,0,0,0,0|0,0,0]=2 168 B11R0.120 COC(=O)CC[C@H](N)C(=O)OC 03066 [0,2,0,0,0,0|0,0,0]=2 169 B11R0.141 CCNC(=O)CC[C@H](N)C(=O)O 14293 [0,2,0,0,0,0|1,0,0]=3 170 B11R0.141 CCOC(=O)CC[C@H](N)C(=O)O 06043 [0,2,0,0,0,0|0,0,0]=2 171 B11R0.141 [N-]=[N+]=CC(=O)CC[C@H](N)C(=O)O 07038 [0,2,0,0,0,0|1,0,0]=3 172 B9R1.6 O=C(O)C1CC=CCC1 22460 [1,0,0,1,0,0|2,0,0]=4 173 B9R1.6 O=C(O)C1CCCCN1 07064 [1,0,0,1,0,0|1,0,1]=4 174 B9R1.6 O=C(O)C1CCCOC1 20871 [1,0,0,1,0,0|1,0,1]=4 175 B9R1.6 O=C(O)[C@@H]1CCCCN1 03414 [1,0,0,1,0,0|1,0,1]=4 176 B9R1.6 O=C(O)[C@H]1CCCCN1 05974 [1,0,0,1,0,0|1,0,1]=4 177 B9R1.35 O=C1C=C(C(=O)O)CC1 24056 [1,0,0,1,0,0|1,0,1]=4 178 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 00620 [1,0,0,1,0,0|0,0,0]=2 179 B9R1.35 O=C1CC[C@H](C(=O)O)N1 05374 [1,0,0,1,0,0|0,0,0]=2 180 B9R1.35 O=C1N[C@H](C(=O)O)CS1 06280 [1,0,0,1,0,0|1,0,0]=3 181 B9R1.112 N[C@@H](CC1CC1)C(=O)O 07175 [1,0,0,1,0,0|1,0,1]=4 182 B9R1.112 N[C@H](CC1CC1)C(=O)O 11699 [1,0,0,1,0,0|1,0,1]=4 183 B9R1.112 N[C@H](CC1CC1)C(=O)O 16791 [1,0,0,1,0,0|1,0,1]=4 184 B9R1.163 NC1(C(=O)O)CCCC1 03534 [1,0,0,1,0,0|1,0,1]=4 185 B9R1.163 NC1(C(=O)O)CCSC1 18021 [1,0,0,1,0,0|2,0,0]=4 186 B7R0.2 N[C@@H](CO)CC(=O)O 12753 [1,0,0,0,1,0|0,0,1]=3 187 B7R0.2 N[C@H](CO)CC(=O)O 15222 [1,0,0,0,1,0|0,0,1]=3 188 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O 05936 [0,0,0,0,2,0|1,0,1]=4 189 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O 06032 [0,0,0,0,2,0|1,0,1]=4 190 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O 00282 [0,0,0,0,2,0|1,0,1]=4 191 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O 00368 [0,0,0,0,2,0|1,0,1]=4 192 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O 00724 [0,0,0,0,2,0|1,0,1]=4 193 B7R0.16 C[C@H](O)[C@H](N)C(=O)O 05846 [0,0,0,0,2,0|1,0,1]=4 194 B9R0.4 CSCC[C@H](N)CC(=O)O 12755 [1,0,0,0,0,1|2,0,0]=4 195 B9R0.55 CC(=O)NCCCC(=O)O 11793 [1,0,0,0,0,1|1,0,0]=3 196 B9R0.55 O=C(O)CCCCC(=O)O 30373 [1,0,0,0,0,1|0,0,0]=2 197 B11R0.29 CC(=O)NCSC[C@@H](N)C(=O)O 04425 [0,0,0,0,0,2|1,0,0]=3 198 B11R0.29 CC(=O)NCSC[C@H](N)C(=O)O 03046 [0,0,0,0,0,2|1,0,0]=3 199 B11R0.29 N=C(N)NCCCC(N)C(=O)O 21589 [0,0,0,0,0,2|2,0,0]=4 200 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)O 00330 [0,0,0,0,0,2|2,0,0]=4 201 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)O 00428 [0,0,0,0,0,2|2,0,0]=4 202 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)O 00024 [0,0,0,0,0,2|2,0,0]=4 203 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)O 00331 [0,0,0,0,0,2|2,0,0]=4 204 B11R0.29 NC(=O)NCCCC(N)C(=O)O 21637 [0,0,0,0,0,2|1,0,0]=3 205 B11R0.29 NC(=O)NCCC[C@@H](N)C(=O)O 03529 [0,0,0,0,0,2|1,0,0]=3 206 B11R0.29 NC(=O)NCCC[C@H](N)C(=O)O 01304 [0,0,0,0,0,2|1,0,0]=3 207 B11R0.29 NC(CCCCC(=O)O)C(=O)O 05651 [0,0,0,0,0,2|0,0,0]=2