0  B6R0.6  CC\C=C/CCO T22295 [1,0,0,0,0,0|0,0,2]=3
1  B6R0.6  COCCCCO T7022 [1,0,0,0,0,0|1,0,0]=2
2  B6R0.6  ClCCNCCCl T0565 [1,0,0,0,0,0|3,0,0]=4
3  B6R0.6  NCCCCCN T4895 [1,0,0,0,0,0|2,0,0]=3
4  B8R0.3  O=CC[C@H](O)[C@H](O)CO T4818 [0,1,0,0,0,0|1,1,1]=4
5  B8R1.4  CC1CCCC(C)N1 T1007 [0,0,0,1,0,0|3,0,0]=4
6  B5R0.1  C[C@@H](O)CCO T19538 [2,0,0,0,0,0|0,1,0]=3
7  B5R0.2  NCCCCN T22213 [2,0,0,0,0,0|2,0,0]=4
8  B5R0.3  OCC(O)CO T4776 [2,0,0,0,0,0|1,1,0]=4
9  B5R0.3  OCC(S)CS T0781 [2,0,0,0,0,0|1,0,0]=3
10  B7R0.2  CC(C)C[C@H](N)CO T5652 [1,1,0,0,0,0|1,0,0]=3
11  B7R0.5  CCCC(C)C(=O)O T5685 [1,1,0,0,0,0|1,0,1]=4
12  B7R0.5  CCCC(N)C(=O)O T11054 [1,1,0,0,0,0|1,0,1]=4
13  B7R0.5  CCC[C@H](N)C(=O)O T4788 [1,1,0,0,0,0|1,0,1]=4
14  B7R0.10  OC[C@@H](O)[C@H](O)CO T5218 [1,1,0,0,0,0|1,1,0]=4
15  B7R0.10  OC[C@H](O)[C@H](O)CO T0583 [1,1,0,0,0,0|1,1,0]=4
16  B7R0.1  NCCCNCCS TQ0133 [1,1,0,0,0,0|1,1,0]=4
17  B7R0.4  CCCCCC(C)N T0359 [1,1,0,0,0,0|1,0,0]=3
18  B7R0.4  NCCCCC(=O)O T5089 [1,1,0,0,0,0|1,0,1]=4
19  B9R0.27  OC[C@@H](O)C(O)[C@H](O)CO T5268 [0,2,0,0,0,0|1,1,0]=4
20  B9R0.27  OC[C@H](O)C(O)[C@@H](O)CO T4894 [0,2,0,0,0,0|1,1,0]=4
21  B9R0.27  OC[C@H](O)[C@@H](O)[C@H](O)CO T0589 [0,2,0,0,0,0|1,1,0]=4
22  B9R0.27  OC[C@H](O)[C@H](O)[C@H](O)CO T6640 [0,2,0,0,0,0|1,1,0]=4
23  B9R0.15  CCCC(CCC)C(=O)O T6474 [0,2,0,0,0,0|1,1,0]=4
24  B9R0.15  CCCC(CCC)C(=O)O T7064 [0,2,0,0,0,0|1,1,0]=4
25  B9R0.15  CCCC(CCC)C(=O)[O-] T1602 [0,2,0,0,0,0|1,1,0]=4
26  B9R0.15  CCCC(CCC)C(N)=O T0355 [0,2,0,0,0,0|1,1,0]=4
27  B7R1.3  NN1CCCCC1 T0533 [1,0,0,1,0,0|2,0,0]=4