0  B9R0.2  C(CCCN)CCC(=O)O 011 [1,0,0,0,0,0|1,0,2]=4
1  B9R0.2  C(CCNCC(=O)O)CN NLY [1,0,0,0,0,0|2,0,1]=4
2  B9R0.2  CCCCCCCC(=O)O OCA [1,0,0,0,0,0|0,0,2]=3
3  B11R0.40  CCCCCCCCC(=O)OC NON [0,1,0,0,0,0|0,0,2]=3
4  B11R1.40  CNC(=O)NC1CCCCC1 6NX [0,0,0,1,0,0|2,0,1]=4
5  B8R0.4  CCCCCCCC=O OYA [2,0,0,0,0,0|0,0,2]=4
6  B8R0.7  C(CCC(=O)O)CCN ACA [2,0,0,0,0,0|1,0,1]=4
7  B8R0.7  C(CCC(=O)O)CCN AHA [2,0,0,0,0,0|1,0,1]=4
8  B8R0.7  CCCCCCC(=O)N HPN [2,0,0,0,0,0|1,0,1]=4
9  B8R0.7  CCCCCCC(=O)O SHV [2,0,0,0,0,0|0,0,1]=3
10  B10R0.4  C(CCCC(=O)O)CCCN 8AC [1,1,0,0,0,0|0,0,2]=4
11  B10R0.4  C(CCCNC(=O)O)CCN CMY [1,1,0,0,0,0|1,0,1]=4
12  B10R0.4  CCCCCCCCC(=O)O KNA [1,1,0,0,0,0|0,0,2]=4
13  B10R0.6  CCCCCC(=O)CC(=O)O OOA [1,1,0,0,0,0|0,0,1]=3
14  B10R0.6  CCCCC[C@@H](CC(=O)O)O 3HO [1,1,0,0,0,0|0,0,2]=4
15  B10R0.55  CC[C@H](C)CCCCC(=O)O 6FH [1,1,0,0,0,0|0,0,2]=4
16  B10R0.75  CCCCCC[C@@H](C(=O)O)O HOC [1,1,0,0,0,0|0,0,2]=4
17  B10R0.97  CC(C)C/C=C/C=C\C(=O)O FA7 [1,1,0,0,0,0|0,0,2]=4
18  B10R0.62  CCCCCC[P@@](=O)(O)OC MHH [1,1,0,0,0,0|1,0,1]=4
19  B10R1.18  C1CCC(CC1)NC(=O)O OHO [1,0,0,1,0,0|1,0,1]=4
20  B10R1.66  C1CCC(C1)CCC(=O)O 3PA [1,0,0,1,0,0|0,0,2]=4
21  B10R1.66  C1CCC(C1)NCC(=O)O 021 [1,0,0,1,0,0|1,0,1]=4
22  B10R1.66  C1CCC(C1)OCC(=O)O 01Y [1,0,0,1,0,0|1,0,1]=4