0  B5R0.3  CC(CN)CO A15437 [1,0,0,0,0,0|1,1,1]=4
1  B7R0.2  CC[C@H](C)CC(=O)O M13871 [0,1,0,0,0,0|1,1,1]=4
2  B7R1.1  CCC1CCCN1 E15991 [0,0,0,1,0,0|1,0,2]=4
3  B7R1.3  CC1CCCCN1 M6451 [0,0,0,1,0,0|1,0,2]=4
4  B7R1.3  CC1CCCNC1 P3032 [0,0,0,1,0,0|3,0,0]=4
5  B7R1.3  CC1CCNCC1 M11273 [0,0,0,1,0,0|2,0,1]=4
6  B7R1.3  C[C@H]1CCCCN1 M3041 [0,0,0,1,0,0|1,0,2]=4
7  B4R0.1  CCC(=N)N P12993 [2,0,0,0,0,0|1,0,1]=4
8  B4R0.1  CC[C@@H](C)O B4806 [2,0,0,0,0,0|0,1,0]=3
9  B4R0.1  CC[C@H](C)O B4805 [2,0,0,0,0,0|0,1,0]=3
10  B4R0.1  C[C@@H](Cl)CO C4812 [2,0,0,0,0,0|2,0,0]=4
11  B4R0.1  C[C@@H](N)CN D1041 [2,0,0,0,0,0|1,0,1]=4
12  B4R0.1  C[C@@H](N)CN D7317 [2,0,0,0,0,0|1,0,1]=4
13  B4R0.1  C[C@@H](N)CO A1425 [2,0,0,0,0,0|1,0,1]=4
14  B4R0.1  C[C@@H](O)CCl C4810 [2,0,0,0,0,0|1,1,0]=4
15  B4R0.1  C[C@@H](O)CCl C4810 [2,0,0,0,0,0|1,1,0]=4
16  B4R0.1  C[C@@H](O)CN A6198 [2,0,0,0,0,0|1,1,0]=4
17  B4R0.1  C[C@@H](O)CN A6198 [2,0,0,0,0,0|1,1,0]=4
18  B4R0.1  C[C@@H](O)CO P2644 [2,0,0,0,0,0|1,1,0]=4
19  B4R0.1  C[C@@H](O)CO P2644 [2,0,0,0,0,0|1,1,0]=4
20  B4R0.1  C[C@H](Cl)CO C4811 [2,0,0,0,0,0|2,0,0]=4
21  B4R0.1  C[C@H](N)CO A5008 [2,0,0,0,0,0|1,0,1]=4
22  B4R0.1  C[C@H](N)CO A5008 [2,0,0,0,0,0|1,0,1]=4
23  B4R0.1  C[C@H](O)CCl C4809 [2,0,0,0,0,0|1,1,0]=4
24  B4R0.1  C[C@H](O)CCl C4809 [2,0,0,0,0,0|1,1,0]=4
25  B4R0.1  C[C@H](O)CN A5854 [2,0,0,0,0,0|1,1,0]=4
26  B4R0.1  C[C@H](O)CO P6701 [2,0,0,0,0,0|1,1,0]=4
27  B6R0.8  C#CC(C)(N)CC A18277 [1,1,0,0,0,0|1,0,1]=4
28  B6R0.8  C#CC(C)(N)CC A18277 [1,1,0,0,0,0|1,0,1]=4
29  B6R0.8  CCC(C)(O)CN A14285 [1,1,0,0,0,0|1,0,1]=4