0 B8R0.9 N#CC(N)CCC(=O)O YMDB00784 [0,0,0,0,0,0|1,0,1]=2 1 B8R0.9 NCC(=O)CCC(=O)O YMDB00083 [0,0,0,0,0,0|2,0,2]=4 2 B7R0.4 CC(=O)NCCC=O YMDB00315 [1,0,0,0,0,0|3,0,0]=4 3 B7R0.4 CCCCCC(=O)O YMDB01424 [1,0,0,0,0,0|0,0,2]=3 4 B7R0.4 CCCCCC(C)=O YMDB01337 [1,0,0,0,0,0|1,0,2]=4 5 B7R0.6 O=C(O)CCC(=O)O YMDB00338 [1,0,0,0,0,0|2,0,1]=4 6 B9R0.7 CC(=O)OC[C@H](N)C(=O)O YMDB00652 [0,1,0,0,0,0|3,0,0]=4 7 B9R0.7 CC(CCC(=O)O)C(=O)O YMDB01573 [0,1,0,0,0,0|2,0,0]=3 8 B9R0.7 C[S@@](=O)CC[C@H](N)C(=O)O YMDB00035 [0,1,0,0,0,0|3,0,0]=4 9 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O YMDB00990 [0,1,0,0,0,0|2,0,0]=3 10 B9R0.7 NC(=O)CC[C@H](N)C(=O)O YMDB00002 [0,1,0,0,0,0|2,0,0]=3 11 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O YMDB00271 [0,1,0,0,0,0|1,0,0]=2 12 B9R0.7 O=C(O)CCC(=O)C(=O)O YMDB00153 [0,1,0,0,0,0|2,0,1]=4 13 B9R0.7 O=C(O)CCC(O)C(=O)O YMDB00059 [0,1,0,0,0,0|2,0,0]=3 14 B9R0.42 N[C@@H](C[C@@H](O)C=O)C(=O)O YMDB00720 [0,1,0,0,0,0|2,0,0]=3 15 B9R1.35 O=C(O)C1CC(O)C=N1 YMDB00718 [0,0,0,1,0,0|2,0,0]=3 16 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 YMDB00723 [0,0,0,1,0,0|2,0,1]=4 17 B6R0.4 CCCCC(=O)O YMDB01484 [2,0,0,0,0,0|0,0,1]=3 18 B6R0.4 NCCCC(=O)O YMDB00335 [2,0,0,0,0,0|0,0,0]=2 19 B6R0.4 O=CCCC(=O)O YMDB00236 [2,0,0,0,0,0|1,0,0]=3 20 B6R0.6 CCCCCC=O YMDB01759 [2,0,0,0,0,0|0,0,2]=4 21 B8R0.8 N[C@@H](CCC=O)C(=O)O YMDB00918 [1,1,0,0,0,0|1,0,0]=3 22 B8R0.7 CC(=O)NCCCC=O YMDB00209 [1,1,0,0,0,0|2,0,0]=4 23 B8R0.7 CCCCCCC(=O)O YMDB01705 [1,1,0,0,0,0|0,0,2]=4 24 B8R0.23 CC(C)CC(O)C(=O)O YMDB02318 [1,1,0,0,0,0|1,0,1]=4 25 B8R0.23 CC(C)C[C@@H](N)C(=O)O YMDB00997 [1,1,0,0,0,0|1,0,1]=4 26 B8R0.23 CC(C)C[C@H](N)C(=O)O YMDB00387 [1,1,0,0,0,0|1,0,1]=4 27 B8R0.23 NC(=O)C[C@@H](N)C(=O)O YMDB00849 [1,1,0,0,0,0|1,0,1]=4 28 B8R0.23 NC(=O)C[C@H](N)C(=O)O YMDB00226 [1,1,0,0,0,0|1,0,1]=4 29 B10R0.98 CC(=O)OCC[C@H](N)C(=O)O YMDB00158 [0,1,0,0,0,1|2,0,0]=4 30 B10R0.98 N[C@@H](CCCC(=O)O)C(=O)O YMDB00999 [0,1,0,0,0,1|1,0,0]=3 31 B10R0.93 N[C@@H](C[C@@H](O)C(=O)O)C(=O)O YMDB00719 [0,2,0,0,0,0|1,0,0]=3 32 B8R1.7 O=C(O)C1CCC=N1 YMDB00243 [1,0,0,1,0,0|1,0,0]=3 33 B8R1.7 O=C(O)[C@@H]1CCCN1 YMDB00378 [1,0,0,1,0,0|1,0,1]=4 34 B8R1.7 O=C(O)[C@H]1CCCN1 YMDB00903 [1,0,0,1,0,0|1,0,1]=4 35 B6R0.2 CC(C)CC(=O)O YMDB01606 [1,0,0,0,1,0|1,0,1]=4 36 B6R0.2 CC(O)CC(=O)O YMDB01561 [1,0,0,0,1,0|1,0,1]=4 37 B6R0.3 CC[C@H](N)C(=O)O YMDB01570 [0,0,0,0,2,0|0,0,2]=4 38 B6R0.3 N[C@@H](C=O)C(=O)O YMDB01041 [0,0,0,0,2,0|1,0,0]=3 39 B6R0.3 N[C@@H](CO)C(=O)O YMDB00112 [0,0,0,0,2,0|1,0,1]=4 40 B6R0.3 N[C@@H](CS)C(=O)O YMDB00046 [0,0,0,0,2,0|1,0,1]=4 41 B6R0.3 N[C@H](CO)C(=O)O YMDB00284 [0,0,0,0,2,0|1,0,1]=4 42 B6R0.3 N[C@H](CS)C(=O)O YMDB00913 [0,0,0,0,2,0|1,0,1]=4