0  B15R0.2550  NC(CCC(=O)NC(CS)C(=O)O)C(=O)O MCULE-6427937937 [0,0,0,0,0,0|0,0,0]=0
1  B15R0.2550  N[C@@H](CCC(=O)N[C@@H](CO)C(=O)O)C(=O)O MCULE-6720722785 [0,0,0,0,0,0|0,1,0]=1
2  B15R0.2550  N[C@@H](CCC(=O)N[C@@H](CO)C(=O)O)C(=O)O MCULE-6761669371 [0,0,0,0,0,0|0,1,0]=1
3  B15R0.2550  N[C@@H](CCC(=O)N[C@@H](CS)C(=O)O)C(=O)O MCULE-1838085214 [0,0,0,0,0,0|0,0,0]=0
4  B15R0.2550  N[C@@H](CCC(=O)N[C@@H](CS)C(=O)O)C(=O)O MCULE-5263867171 [0,0,0,0,0,0|0,0,0]=0
5  B15R0.2550  N[C@@H](CCC(=O)N[C@@H](CS)C(=O)O)C(=O)O MCULE-7886941643 [0,0,0,0,0,0|0,0,0]=0
6  B14R0.519  CC(NC(=O)CCC(N)C(=O)O)C(=O)O MCULE-2008592561 [1,0,0,0,0,0|0,0,0]=1
7  B14R0.519  C[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)O MCULE-3938696014 [1,0,0,0,0,0|0,0,0]=1
8  B14R0.519  C[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)O MCULE-6802274188 [1,0,0,0,0,0|0,0,0]=1
9  B16R0.4169  N#CCC(NC(=O)CCC(N)C(=O)O)C(=O)O MCULE-1090758067 [0,1,0,0,0,0|1,0,0]=2
10  B16R0.4169  N#CC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)O MCULE-2753529395 [0,1,0,0,0,0|1,0,0]=2
11  B16R0.11570  CC(C)[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)O MCULE-3401775055 [0,1,0,0,0,0|1,0,0]=2
12  B16R0.11570  CC(C)[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)O MCULE-4023246746 [0,1,0,0,0,0|1,0,0]=2
13  B13R0.51  N[C@@H](CCC(=O)NCC(=O)O)C(=O)O MCULE-1421391808 [2,0,0,0,0,0|0,0,0]=2
14  B13R0.51  N[C@H](CCC(=O)NCC(=O)O)C(=O)O MCULE-3089825842 [2,0,0,0,0,0|0,0,0]=2
15  B13R0.51  N[C@H](CCC(=O)NCC(=O)O)C(=O)O MCULE-4476076301 [2,0,0,0,0,0|0,0,0]=2
16  B13R0.51  N[C@H](CCC(=O)NCC(=O)O)C(=O)O MCULE-6653808113 [2,0,0,0,0,0|0,0,0]=2
17  B17R0.2681  NCCC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)O MCULE-7266043565 [0,2,0,0,0,0|1,0,0]=3
18  B15R1.3137  CCC(C(=O)O)N1CC(CC1=O)C(=O)O MCULE-8948749198 [0,0,0,1,1,0|2,0,0]=4
19  B13R0.355  C[C@H](NC(=O)C[C@H](N)C(=O)O)C(=O)O MCULE-2105545171 [1,0,0,0,1,0|0,0,0]=2