0  B7R0.4  NCCNCC(=O)O HY-W012883 [0,0,0,0,0,0|3,0,1]=4
1  B7R0.4  O=C(O)COCCO HY-W591338A [0,0,0,0,0,0|3,0,1]=4
2  B7R0.4  O=C(O)COCCO HY-W591338B [0,0,0,0,0,0|3,0,1]=4
3  B7R0.4  O=C(O)COCCS HY-140728 [0,0,0,0,0,0|3,0,1]=4
4  B6R0.4  O=C(O)\C=C\CO HY-100982 [1,0,0,0,0,0|2,0,0]=3
5  B8R0.7  CC(=O)NCCCCN HY-W342604R [0,1,0,0,0,0|1,0,1]=3
6  B8R0.7  CCCC\C=C\C(=O)O HY-W107869 [0,1,0,0,0,0|1,0,0]=2
7  B8R0.7  NCCCCCC(=O)O HY-B0236 [0,1,0,0,0,0|1,0,2]=4
8  B8R0.7  NCCCNCC(=O)O HY-W077223 [0,1,0,0,0,0|2,0,1]=4
9  B8R0.7  O=C(O)CCCCCO HY-W105750 [0,1,0,0,0,0|1,0,2]=4
10  B8R0.8  CCCC[C@H](N)C(=O)O HY-Y0017R [0,1,0,0,0,0|1,0,2]=4
11  B8R1.7  CC(=O)C1=CC=CN1 HY-W012956 [0,0,0,1,0,0|1,0,2]=4
12  B8R1.7  O=C(O)[C@@H]1CCC[15NH]1 HY-Y0252S2 [0,0,0,1,0,0|2,0,1]=4
13  B8R1.7  O=[13C](O)[13C@@H]1[13CH2][13CH2][13CH2]N1 HY-Y0252S [0,0,0,1,0,0|2,0,1]=4
14  B5R0.1  CNCC(=O)O HY-W012791 [2,0,0,0,0,0|2,0,0]=4
15  B5R0.1  C\C=C\C(C)=O HY-34748 [2,0,0,0,0,0|0,0,0]=2
16  B5R0.1  [15NH2]CCC(=O)O HY-N0230S1 [2,0,0,0,0,0|2,0,0]=4
17  B5R0.2  C=CCCCO HY-W010639 [2,0,0,0,0,0|1,0,1]=4
18  B7R0.3  CCC(=O)OCOC HY-41616 [1,1,0,0,0,0|2,0,0]=4
19  B7R0.3  CCC(=O)\C=C\C=O HY-N12851 [1,1,0,0,0,0|1,0,1]=4
20  B7R0.3  CCCCC(=O)O[Na] HY-W007087 [1,1,0,0,0,0|1,0,1]=4
21  B9R0.34  CCCC(=O)CC(=O)OC HY-W005176 [0,2,0,0,0,0|0,0,1]=3
22  B9R0.47  CNCCC[C@H](N)C(C)=O HY-126436A [0,2,0,0,0,0|0,0,2]=4
23  B9R0.2  CC(=O)OCCOCCO HY-W096086 [0,2,0,0,0,0|1,0,1]=4
24  B9R0.2  CS(=O)\C=C\CCN=C=S HY-N2450 [0,2,0,0,0,0|1,0,1]=4
25  B7R1.3  CC1=CCCCC1 HY-W004338 [1,0,0,1,0,0|1,0,0]=3
26  B7R1.1  O=CN1CCCC1 HY-W102648 [1,0,0,1,0,0|1,0,1]=4
27  B9R1.11  O=C(O[Na])C1=NCCC1 HY-138354A [0,1,0,1,0,0|2,0,0]=4