0  B9R0.53  CC(C)C[C@@H](N)CC(=O)O A18230 [0,0,0,0,0,0|3,0,1]=4
1  B9R0.53  CC(C)C[C@@H](N)CC(=O)O A18231 [0,0,0,0,0,0|3,0,1]=4
2  B8R0.23  CC(C)C[C@@H](O)C(=O)O H12699 [0,0,0,0,1,0|2,0,1]=4
3  B7R0.2  CC(C)C[C@H](N)CO L2031 [2,0,0,0,0,0|2,0,0]=4
4  B7R0.7  COCC(O)COC D12731 [2,0,0,0,0,0|2,0,0]=4
5  B9R0.1  CC(C)COCC(O)CN A14681 [1,1,0,0,0,0|2,0,0]=4
6  B9R1.34  OC1CC(O)CC(O)C1 C18817 [1,0,0,1,0,0|2,0,0]=4
7  B9R1.41  CN(C)C1COCC1O H11722 [1,0,0,1,0,0|2,0,0]=4
8  B11R1.1362  CC1(C)CC(=O)CC(C)(C)N1 T1308 [0,1,0,1,0,0|0,0,2]=4
9  B11R1.1362  CC1(C)CC(N)CC(C)(C)N1 A2362 [0,1,0,1,0,0|1,0,0]=3
10  B11R1.1362  CC1(C)CC(O)CC(C)(C)N1 T2356 [0,1,0,1,0,0|0,0,0]=2
11  B11R1.80  CC1=NC(CC(C)C)SC1C D7879 [0,1,0,1,0,0|2,0,0]=4
12  B7R0.6  C[C@H](O)CC[C@H](C)O H5146 [1,0,0,0,1,0|2,0,0]=4