0 B9R0.7 CC(=O)OC[C@H](N)C(=O)O YMDB00652 [0,0,0,0,0,0|2,0,0]=2 1 B9R0.7 CC(CCC(=O)O)C(=O)O YMDB01573 [0,0,0,0,0,0|1,0,0]=1 2 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O YMDB00347 [0,0,0,0,0,0|3,0,0]=3 3 B9R0.7 C[S@@](=O)CC[C@H](N)C(=O)O YMDB00035 [0,0,0,0,0,0|2,0,0]=2 4 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O YMDB00990 [0,0,0,0,0,0|1,0,0]=1 5 B9R0.7 NC(=O)CC[C@H](N)C(=O)O YMDB00002 [0,0,0,0,0,0|1,0,0]=1 6 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O YMDB00271 [0,0,0,0,0,0|0,0,0]=0 7 B9R0.7 O=C(O)CCC(=O)C(=O)O YMDB00153 [0,0,0,0,0,0|1,0,1]=2 8 B9R0.7 O=C(O)CCC(O)C(=O)O YMDB00059 [0,0,0,0,0,0|1,0,0]=1 9 B8R0.8 CCCC[C@H](N)C(=O)O YMDB01001 [1,0,0,0,0,0|1,0,1]=3 10 B8R0.8 CSCC[C@@H](N)C(=O)O YMDB00816 [1,0,0,0,0,0|2,0,0]=3 11 B8R0.8 CSCC[C@H](N)C(=O)O YMDB00318 [1,0,0,0,0,0|2,0,0]=3 12 B8R0.8 NCCC[C@H](N)C(=O)O YMDB00353 [1,0,0,0,0,0|1,0,1]=3 13 B8R0.8 N[C@@H](CCC=O)C(=O)O YMDB00918 [1,0,0,0,0,0|0,0,0]=1 14 B8R0.9 N#CC(N)CCC(=O)O YMDB00784 [1,0,0,0,0,0|1,0,1]=3 15 B10R0.82 NC[C@H](O)CC[C@H](N)C(=O)O YMDB01562 [0,1,0,0,0,0|1,0,1]=3 16 B10R0.92 NC(COP(=O)(O)O)C(=O)O YMDB00076 [0,1,0,0,0,0|2,0,0]=3 17 B10R0.92 N[C@@H](COP(=O)(O)O)C(=O)O YMDB00761 [0,1,0,0,0,0|2,0,0]=3 18 B10R0.92 O=C(O)C(O)COP(=O)(O)O YMDB00341 [0,1,0,0,0,0|3,0,0]=4 19 B10R0.92 O=C(O)[C@H](O)COP(=O)(O)O YMDB00756 [0,1,0,0,0,0|3,0,0]=4 20 B10R0.93 N[C@@H](C[C@@H](O)C(=O)O)C(=O)O YMDB00719 [0,1,0,0,0,0|0,0,0]=1 21 B10R0.93 O=C(O)C(=O)CC(O)C(=O)O YMDB00722 [0,1,0,0,0,0|1,0,1]=3 22 B8R0.23 C=C(CC(=O)O)C(=O)O YMDB00716 [0,0,0,0,1,0|1,0,1]=3 23 B8R0.23 CC(=O)N[C@@H](C)C(=O)O YMDB01758 [0,0,0,0,1,0|3,0,0]=4 24 B8R0.23 CC(=O)N[C@H](C)C(=O)O YMDB00855 [0,0,0,0,1,0|3,0,0]=4 25 B8R0.23 CC(C)C[C@@H](N)C(=O)O YMDB00997 [0,0,0,0,1,0|2,0,1]=4 26 B8R0.23 CC(C)C[C@H](N)C(=O)O YMDB00387 [0,0,0,0,1,0|2,0,1]=4 27 B8R0.23 N=C(CC(=O)O)C(=O)O YMDB00596 [0,0,0,0,1,0|0,0,2]=3 28 B8R0.23 N=C(O)NC(O)C(=O)O YMDB01042 [0,0,0,0,1,0|3,0,0]=4 29 B8R0.23 NC(=O)C[C@@H](N)C(=O)O YMDB00849 [0,0,0,0,1,0|1,0,0]=2 30 B8R0.23 NC(=O)C[C@H](N)C(=O)O YMDB00226 [0,0,0,0,1,0|1,0,0]=2 31 B8R0.23 NC(=O)N[C@@H](O)C(=O)O YMDB00377 [0,0,0,0,1,0|3,0,0]=4 32 B8R0.23 N[C@@H](CC(=O)O)C(=O)O YMDB00896 [0,0,0,0,1,0|0,0,0]=1 33 B8R0.23 O=C(O)CC(=O)C(=O)O YMDB00235 [0,0,0,0,1,0|1,0,1]=3 34 B8R0.23 O=C(O)C[C@H](O)C(=O)O YMDB00280 [0,0,0,0,1,0|1,0,0]=2 35 B8R0.23 O=C([O-])C[C@H](O)C(=O)[O-] YMDB01064 [0,0,0,0,1,0|1,0,2]=4 36 B10R0.98 CC(=O)OCC[C@H](N)C(=O)O YMDB00158 [0,0,0,0,0,1|1,0,0]=2 37 B10R0.98 N[C@@H](CCCC(=O)O)C(=O)O YMDB00999 [0,0,0,0,0,1|0,0,0]=1 38 B10R0.98 O=C(O)CCCC(=O)C(=O)O YMDB00142 [0,0,0,0,0,1|1,0,1]=3 39 B7R0.4 CC(=O)NCCC=O YMDB00315 [2,0,0,0,0,0|2,0,0]=4 40 B7R0.4 CCCCCC(=O)O YMDB01424 [2,0,0,0,0,0|1,0,1]=4 41 B7R0.5 CCCC(O)C(=O)O YMDB01559 [2,0,0,0,0,0|1,0,1]=4 42 B7R0.5 CCC[C@@H](N)C(=O)O YMDB00822 [2,0,0,0,0,0|0,0,1]=3 43 B7R0.5 NC(CCS)C(=O)O YMDB00371 [2,0,0,0,0,0|0,1,0]=3 44 B7R0.5 N[C@@H](CC=O)C(=O)O YMDB00034 [2,0,0,0,0,0|0,0,0]=2 45 B7R0.5 N[C@@H](CCO)C(=O)O YMDB00104 [2,0,0,0,0,0|0,0,0]=2 46 B7R0.5 N[C@@H](CCS)C(=O)O YMDB00520 [2,0,0,0,0,0|0,1,0]=3 47 B7R0.6 O=C(O)CCC(=O)O YMDB00338 [2,0,0,0,0,0|1,0,1]=4 48 B9R0.42 N[C@@H](C[C@@H](O)C=O)C(=O)O YMDB00720 [1,1,0,0,0,0|0,0,0]=2 49 B9R0.47 NC(CCCC=O)C(=O)O YMDB00346 [1,1,0,0,0,0|0,0,0]=2 50 B9R0.47 NCCCC[C@H](N)C(=O)O YMDB00330 [1,1,0,0,0,0|1,0,1]=4 51 B9R0.47 N[C@@H](CCCC=O)C(=O)O YMDB00721 [1,1,0,0,0,0|0,0,0]=2 52 B9R0.11 CC(O)(CC(=O)O)C(=O)O YMDB01584 [0,1,0,0,1,0|1,0,0]=3 53 B9R0.79 N[C@H](C(=O)O)[C@H](O)C(=O)O YMDB00166 [0,1,0,0,1,0|0,0,0]=2 54 B9R0.79 O=C(O)C(O)C(O)C(=O)O YMDB01788 [0,1,0,0,1,0|1,0,0]=3 55 B11R0.318 N[C@@H](CCOP(=O)(O)O)C(=O)O YMDB00258 [0,1,0,0,0,1|1,0,0]=3 56 B9R1.6 O=C(O)C1CCCCN1 YMDB01675 [1,0,0,1,0,0|1,0,1]=4 57 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 YMDB00107 [1,0,0,1,0,0|0,0,0]=2 58 B7R0.16 CC(=O)[C@H](N)C(=O)O YMDB00695 [0,0,0,0,2,0|1,0,0]=3 59 B7R0.16 CC(C(=O)O)C(=O)O YMDB01567 [0,0,0,0,2,0|1,0,0]=3 60 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O YMDB00214 [0,0,0,0,2,0|1,0,1]=4 61 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O YMDB00802 [0,0,0,0,2,0|1,0,1]=4 62 B7R0.16 C[C@H](O)[C@H](N)C(=O)O YMDB00295 [0,0,0,0,2,0|1,0,1]=4 63 B9R0.55 CC(=O)NCCCC(=O)O YMDB00489 [1,0,0,0,0,1|1,0,0]=3 64 B9R0.55 NC(N)=NCCCC(=O)O YMDB00585 [1,0,0,0,0,1|2,0,0]=4 65 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)O YMDB00592 [0,0,0,0,0,2|2,0,0]=4 66 B11R0.29 NC(=O)NCCC[C@H](N)C(=O)O YMDB00060 [0,0,0,0,0,2|1,0,0]=3