0  B12R0.233  CCCCCC(=O)CCCC(=O)O Y13481 [0,0,0,0,0,0|0,0,0]=0
1  B11R0.148  C#CCCCCCCCC(=O)O AT18721 [1,0,0,0,0,0|0,0,3]=4
2  B11R0.148  CCCC\C=C/CCOC(C)=O D93562 [1,0,0,0,0,0|2,0,1]=4
3  B11R0.148  NCCCCCCCCC(=O)O D94864 [1,0,0,0,0,0|1,0,1]=3
4  B13R0.194  C=CC(=O)OCCC(=O)OCCCC D97247 [0,1,0,0,0,0|3,0,0]=4
5  B11R0.46  CCCCOC(=O)CCC(=O)O S10462 [0,0,0,0,1,0|1,0,0]=2
6  B11R0.46  COCCOC(=O)CCC(=O)O D93560 [0,0,0,0,1,0|2,0,0]=3
7  B10R0.91  CCCCNC(=O)OCCO D93331 [2,0,0,0,0,0|2,0,0]=4
8  B10R0.4  O=C(O)CCCCCCCO S10749 [2,0,0,0,0,0|1,0,0]=3
9  B12R0.4  CCCCCCC[C@H](O)CC(=O)O A10886 [1,1,0,0,0,0|0,0,1]=3
10  B12R0.234  CCCCCCCCCCC(N)=O Y14687 [1,1,0,0,0,0|1,0,1]=4
11  B12R0.251  CCCCCCCC[C@H](N)C(=O)O W18677 [1,1,0,0,0,0|0,0,1]=3
12  B12R0.268  CC(C)CCCCCCCC(=O)O A11263 [1,1,0,0,0,0|0,0,1]=3
13  B12R1.1343  O=C(O)CCN1CCCCCC1 D82188 [1,0,0,1,0,0|1,0,1]=4
14  B12R1.54  O=C(O)CCC(=O)N1CCCC1 F20023 [0,0,0,1,1,0|1,0,0]=3
15  B12R1.54  O=C(O)CNC(=O)[C@@H]1CCCN1 D77946 [0,0,0,1,1,0|2,0,0]=4
16  B14R1.4960  O=C1CCCCC(=O)OCCCCO1 A12841 [0,0,0,1,0,1|1,0,0]=3
17  B14R1.462  CCCCCC1CCC(C(=O)O)CC1 F16764 [0,1,0,1,0,0|1,0,1]=4
18  B14R2.24358  O=C(O)C1CCC2CCC(=O)N2C1 W14484 [0,0,0,2,0,0|1,0,0]=3
19  B14R2.24358  O=C(O)[C@H]1CC[C@@H]2CCC(=O)N2C1 C73102 [0,0,0,2,0,0|1,0,0]=3
20  B10R0.78  CCCCC(=O)NCC(=O)O 81427 [1,0,0,0,1,0|1,0,0]=3
21  B10R0.78  CCCNC(=O)CCC(=O)O W18569 [1,0,0,0,1,0|1,0,0]=3