0  B10R1.16  CCCC[C@H]1CC[S@](=O)C1 SSB [1,0,0,0,0,0|2,0,0]=3
1  B10R0.6  C(CCN)C[C@@H](CC(=O)O)N B3K [0,0,1,0,0,0|2,0,0]=3
2  B10R0.6  CCCCCC(=O)CC(=O)O OOA [0,0,1,0,0,0|1,0,1]=3
3  B10R0.6  CCCCC[C@@H](CC(=O)O)O 3HO [0,0,1,0,0,0|1,0,0]=2
4  B9R0.5  CCCCC[C@@H](C)NC=O NMH [1,0,1,0,0,0|1,0,0]=3
5  B9R0.45  CCCCCCCCCC D10 [1,0,1,0,0,0|1,0,1]=4
6  B9R0.2  C(CCCN)CCC(=O)O 011 [1,0,1,0,0,0|1,0,0]=3
7  B9R0.2  C(CCNCC(=O)O)CN NLY [1,0,1,0,0,0|2,0,0]=4
8  B9R0.2  CCCCCCCC(=O)O OCA [1,0,1,0,0,0|0,0,0]=2
9  B9R0.4  C(C[C@@H](CC(=O)O)N)CN KBE [1,0,1,0,0,0|2,0,0]=4
10  B9R0.4  CCCCC(=O)CC(=O)O BKA [1,0,1,0,0,0|1,0,1]=4
11  B9R0.4  CSCC[C@@H](CC(=O)O)N B3M [1,0,1,0,0,0|2,0,0]=4
12  B9R0.8  CCCC[C@@H]([C@@H](CO)O)O HT3 [1,0,1,0,0,0|1,0,1]=4
13  B9R0.8  CCCC[C@H]([C@@H](CO)O)O HTO [1,0,1,0,0,0|1,0,1]=4
14  B9R0.8  CCCC[C@H]([C@H](CO)O)O HTH [1,0,1,0,0,0|1,0,1]=4
15  B11R0.139  C(CCN)C[C@@H]([C@@H](C(=O)O)O)N 00V [0,1,1,0,0,0|2,0,0]=4
16  B11R1.27  CCCCC[C@@H]1CC[C@H](O1)O HNB [1,1,0,0,0,0|0,0,2]=4
17  B11R1.27  CCCCC[C@H]1CC[C@@H](O1)O 2LE [1,1,0,0,0,0|0,0,2]=4
18  B11R1.157  C1C[C@@H](CC(=O)C1)CC(=O)O KTA [0,0,1,1,0,0|1,0,1]=4
19  B11R1.928  CC1(CCCCC1)NC(=O)O 12K [0,0,1,1,0,0|1,0,0]=3
20  B9R0.47  C(CCN)C[C@@H](C(=O)O)N LYS_LFOH_DHZ3 [0,0,1,0,1,0|2,0,0]=4
21  B9R0.47  C(CCN)C[C@@H](C(=O)O)[NH-] LYS_LEO2H_DHZ3 [0,0,1,0,1,0|2,0,0]=4
22  B9R0.47  C(CCN)C[C@H](C(=O)O)N DLY [0,0,1,0,1,0|2,0,0]=4
23  B9R0.47  C(CCO)C[C@@H](C(=O)O)N LDO [0,0,1,0,1,0|2,0,0]=4
24  B9R0.47  C(CCO)C[C@H](C(=O)O)N DDO [0,0,1,0,1,0|2,0,0]=4
25  B9R0.47  C(CC[NH3+])C[C@@H](C(=O)O)N LYS [0,0,1,0,1,0|2,0,0]=4
26  B9R0.47  C(CC[NH3+])C[C@@H](C(=O)O)N LYS_LFOH [0,0,1,0,1,0|2,0,0]=4
27  B9R0.47  C(CC[NH3+])C[C@@H](C(=O)O)[NH-] LYS_LEO2H [0,0,1,0,1,0|2,0,0]=4
28  B9R0.47  CCCCC[C@@H](C(=O)O)N AHP [0,0,1,0,1,0|1,0,0]=3
29  B9R0.47  CCSCC[C@@H](C(=O)O)N ESC [0,0,1,0,1,0|2,0,0]=4