0  B31R3.620833732  CC(NC(CCC1=CC=CC=C1)C(=O)O)C(=O)N2C(CC3C2CCCC3)C(=O)O MCULE-4130313322 [0,0,0,0,0,0|0,0,0]=0
1  B31R3.620833732  C[C@H](N[C@@H](CCC1=CC=CC=C1)C(=O)O)C(=O)N2[C@@H](C[C@@H]3[C@@H]2CCCC3)C(=O)O MCULE-1660055672 [0,0,0,0,0,0|0,0,0]=0
2  B31R3.620833732  [C@H]12CCCC[C@@H]1C[C@H](N2C(=O)[C@H](C)N[C@@H](CCC3=CC=CC=C3)C(=O)O)C(=O)O MCULE-3006359523 [0,0,0,0,0,0|0,0,0]=0
3  B30R3.445658502  CC(NC(CCC1=CC=CC=C1)C(=O)O)C(=O)N2C(CC3C2CCC3)C(=O)O MCULE-8997070740 [0,0,0,0,1,0|0,0,0]=1
4  B30R3.445658502  [C@@H]12CCC[C@@H]1N([C@@H](C2)C(=O)O)C(=O)[C@H](C)N[C@@H](CCC3=CC=CC=C3)C(=O)O MCULE-1021907056 [0,0,0,0,1,0|0,0,0]=1
5  B30R3.445658502  [C@@H]12CCC[C@@H]1N([C@@H](C2)C(=O)O)C(=O)[C@H](C)N[C@@H](CCC3=CC=CC=C3)C(=O)O MCULE-5291522867 [0,0,0,0,1,0|0,0,0]=1
6  B33R3.196335902  CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2C(CC3C2CCCC3)C(=O)O MCULE-8619346069 [0,2,0,0,0,0|0,0,0]=2
7  B33R3.196335902  CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N2[C@@H](C[C@H]3[C@@H]2CCCC3)C(=O)O MCULE-3566007053 [0,2,0,0,0,0|0,0,0]=2
8  B33R3.196335902  CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N2[C@@H](C[C@H]3[C@@H]2CCCC3)C(=O)O MCULE-7199010927 [0,2,0,0,0,0|0,0,0]=2
9  B33R3.196335902  CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N2[C@H](C[C@H]3[C@H]2CCCC3)C(=O)O MCULE-6659134054 [0,2,0,0,0,0|0,0,0]=2
10  B33R3.196335902  [C@H]12CCCC[C@@H]1C[C@H](N2C(=O)[C@H](C)N[C@@H](CCC3=CC=CC=C3)C(=O)OCC)C(=O)O MCULE-2407367590 [0,2,0,0,0,0|0,0,0]=2
11  B33R3.196335902  [C@H]12CCCC[C@@H]1C[C@H](N2C(=O)[C@H](C)N[C@@H](CCC3=CC=CC=C3)C(=O)OCC)C(=O)O MCULE-2465484147 [0,2,0,0,0,0|0,0,0]=2
12  B31R3.7019375860  C[C@H](N[C@@H](CCC1=CC=CC=C1)C(=O)O)C(=O)N2CC3(C[C@H]2C(=O)O)SCCS3 MCULE-1513198889 [0,0,1,1,0,0|2,0,0]=4