0  B5R0.1  CC(C)CCO DB02296 [0,0,0,0,0,0|1,1,1]=3
1  B5R0.1  CC(O)CCO DB14110 [0,0,0,0,0,0|2,1,1]=4
2  B5R0.1  CN(C)CCO DB13352 [0,0,0,0,0,0|2,1,1]=4
3  B5R0.1  C[C@H](O)CCO DB02202 [0,0,0,0,0,0|2,1,1]=4
4  B4R0.1  CC[C@@H](C)O DB02606 [1,0,0,0,0,0|2,0,1]=4
5  B4R0.1  CN(C)C=O DB01844 [1,0,0,0,0,0|1,1,1]=4
6  B4R0.1  C[C@@H](Cl)CCl DB01701 [1,0,0,0,0,0|2,0,1]=4
7  B4R0.1  C[C@@H](O)CO DB02159 [1,0,0,0,0,0|1,1,1]=4
8  B4R0.1  C[C@H](O)C=O DB03776 [1,0,0,0,0,0|1,1,1]=4
9  B4R0.1  C[C@H](O)CBr DB03335 [1,0,0,0,0,0|2,0,1]=4
10  B4R0.1  C[C@H](O)CO DB04349 [1,0,0,0,0,0|1,1,1]=4
11  B4R0.1  C[C@H](O)C[NH3+] DB02576 [1,0,0,0,0,0|2,0,1]=4
12  B4R0.2  CCCCN DB03659 [1,0,0,0,0,0|2,0,1]=4
13  B4R0.2  CCCCO DB02145 [1,0,0,0,0,0|1,1,1]=4
14  B4R0.2  [C-]#[N+]CCC DB04050 [1,0,0,0,0,0|3,0,0]=4
15  B6R0.2  CC(C)CC(=O)O DB03750 [0,1,0,0,0,0|1,1,1]=4
16  B6R0.2  CC(C)C[C@@H](C)N DB02107 [0,1,0,0,0,0|2,0,1]=4
17  B6R0.2  CC(C)SC(=N)N DB04018 [0,1,0,0,0,0|2,0,1]=4
18  B6R0.3  CC(C)[C@H](N)CO DB04383 [0,1,0,0,0,0|1,1,1]=4
19  B6R0.5  CC(C)(C)OC=O DB02768 [0,1,0,0,0,0|1,1,1]=4
20  B3R0.1  C#[N+]CC DB03399 [2,0,0,0,0,0|0,0,2]=4
21  B3R0.1  CCCO DB03175 [2,0,0,0,0,0|0,1,1]=4
22  B3R0.1  CCN=O DB02646 [2,0,0,0,0,0|0,1,0]=3
23  B3R0.1  CCNC DB02396 [2,0,0,0,0,0|0,0,2]=4
24  B5R0.4  CC(C)(O)C#N DB02203 [1,1,0,0,0,0|1,0,1]=4
25  B5R0.5  CC(C)C(=O)O DB02531 [1,1,0,0,0,0|0,1,1]=4