0 B8R0.23 CC(=O)N[C@@H](C)C(=O)O YMDB01758 [0,0,0,0,0,0|2,0,0]=2 1 B8R0.23 CC(=O)N[C@H](C)C(=O)O YMDB00855 [0,0,0,0,0,0|2,0,0]=2 2 B8R0.23 NC(=O)C[C@@H](N)C(=O)O YMDB00849 [0,0,0,0,0,0|4,0,0]=4 3 B8R0.23 NC(=O)C[C@H](N)C(=O)O YMDB00226 [0,0,0,0,0,0|4,0,0]=4 4 B8R0.23 NC(=O)N[C@@H](O)C(=O)O YMDB00377 [0,0,0,0,0,0|4,0,0]=4 5 B8R0.23 N[C@@H](CC(=O)O)C(=O)O YMDB00896 [0,0,0,0,0,0|4,0,0]=4 6 B8R0.23 O=C(O)C[C@H](O)C(=O)O YMDB00280 [0,0,0,0,0,0|4,0,0]=4 7 B8R0.23 O=C([O-])C[C@H](O)C(=O)[O-] YMDB01064 [0,0,0,0,0,0|4,0,0]=4 8 B7R0.5 N[C@@H](CC=O)C(=O)O YMDB00034 [1,0,0,0,0,0|3,0,0]=4 9 B7R0.6 CC(=O)OCC(C)C YMDB00572 [1,0,0,0,0,0|1,0,1]=3 10 B7R0.6 CC(=O)OCC(C)C YMDB01589 [1,0,0,0,0,0|1,0,1]=3 11 B7R0.6 O=C(O)CCC(=O)O YMDB00338 [1,0,0,0,0,0|3,0,0]=4 12 B9R0.11 CC(O)(CC(=O)O)C(=O)O YMDB01584 [0,1,0,0,0,0|3,0,0]=4 13 B9R0.39 CC(=O)NC(CO)C(=O)O YMDB00810 [0,1,0,0,0,0|2,0,0]=3 14 B9R0.39 CC(=O)N[C@H](CS)C(=O)O YMDB00820 [0,1,0,0,0,0|2,0,0]=3 15 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 YMDB00107 [0,0,0,1,0,0|2,0,0]=3 16 B7R0.16 CC(=O)[C@H](N)C(=O)O YMDB00695 [0,0,0,0,1,0|2,0,0]=3 17 B7R0.16 CC(C(=O)O)C(=O)O YMDB01567 [0,0,0,0,1,0|2,0,0]=3 18 B9R0.7 CC(=O)OC[C@H](N)C(=O)O YMDB00652 [0,0,0,0,0,1|2,0,0]=3 19 B9R0.7 CC(CCC(=O)O)C(=O)O YMDB01573 [0,0,0,0,0,1|3,0,0]=4 20 B6R0.2 CC(C)CC(=O)O YMDB01606 [2,0,0,0,0,0|2,0,0]=4 21 B6R0.4 CCCOC(C)=O YMDB01390 [2,0,0,0,0,0|0,0,1]=3 22 B6R0.4 O=CCCC(=O)O YMDB00236 [2,0,0,0,0,0|2,0,0]=4 23 B6R0.3 CCC(C)C(=O)O YMDB01587 [2,0,0,0,0,0|1,0,1]=4 24 B6R0.3 N[C@@H](C=O)C(=O)O YMDB01041 [2,0,0,0,0,0|2,0,0]=4 25 B8R0.9 CCC(C)COC(C)=O YMDB00568 [1,1,0,0,0,0|1,0,1]=4 26 B8R0.9 NCC(=O)CCC(=O)O YMDB00083 [1,1,0,0,0,0|2,0,0]=4 27 B8R0.37 CC(=O)C(C)(O)C(=O)O YMDB00394 [0,1,0,0,1,0|1,0,0]=3 28 B8R0.37 CC(=O)[C@](C)(O)C(=O)O YMDB00177 [0,1,0,0,1,0|1,0,0]=3 29 B10R0.162 CC(=O)N[C@@H](C(=O)O)C(C)C YMDB00873 [0,2,0,0,0,0|2,0,0]=4 30 B8R1.1 CCC1CCC(=O)O1 YMDB01618 [1,0,0,1,0,0|0,0,1]=3 31 B8R1.7 O=C(O)C1CCC=N1 YMDB00243 [1,0,0,1,0,0|2,0,0]=4 32 B8R0.28 CC(=O)CCC=C(C)C YMDB00877 [1,0,0,0,0,1|2,0,0]=4 33 B8R0.28 CC(=O)OCCC(C)C YMDB00571 [1,0,0,0,0,1|1,0,1]=4 34 B10R0.98 CC(=O)OCC[C@H](N)C(=O)O YMDB00158 [0,0,0,0,0,2|2,0,0]=4