0  B6R0.1  C#CC(=O)OCC B051748 [0,0,0,0,0,0|2,0,1]=3
1  B6R0.1  CNC(C)CCO B039563 [0,0,0,0,0,0|3,0,1]=4
2  B6R0.1  COCC(=O)NN B015437 [0,0,0,0,0,0|3,0,0]=3
3  B5R0.1  C#CCC(=O)O B050921 [1,0,0,0,0,0|0,1,2]=4
4  B5R0.1  CC(N)CCO B039558 [1,0,0,0,0,0|2,0,1]=4
5  B5R0.2  CCSCCO B049702 [1,0,0,0,0,0|3,0,0]=4
6  B5R0.3  CCC(=O)NN B015434 [1,0,0,0,0,0|2,0,0]=3
7  B5R0.3  CC\C(N)=N\O B030359 [1,0,0,0,0,0|3,0,0]=4
8  B7R0.3  CCN(C)CCCO B039576 [0,1,0,0,0,0|3,0,0]=4
9  B7R0.3  CNCCC(=O)NC B039605 [0,1,0,0,0,0|1,0,0]=2
10  B7R0.5  CCOC(=O)C(F)F B020251 [0,1,0,0,0,0|3,0,0]=4
11  B7R0.7  CCOC(=O)CNN B020270 [0,1,0,0,0,0|2,1,0]=4
12  B7R0.7  O=S(CCO)CCO B048617 [0,1,0,0,0,0|3,0,0]=4
13  B7R0.11  CNS(=O)(=O)CCN B050559 [0,1,0,0,0,0|3,0,0]=4
14  B7R1.22  NNC(=O)C1CC1 B014982 [0,0,0,1,0,0|2,0,0]=3
15  B4R0.1  CSC(=N)N B022644 [2,0,0,0,0,0|2,0,0]=4
16  B8R0.24  CC(C)(C)CC(=O)NN B014978 [0,2,0,0,0,0|2,0,0]=4
17  B8R0.6  CCCCCC(=O)NN B014970 [0,2,0,0,0,0|2,0,0]=4
18  B8R0.6  CCNCCC(=O)NN B039571 [0,2,0,0,0,0|2,0,0]=4
19  B8R0.14  CNCC(=O)C(C)(C)C B050190 [0,2,0,0,0,0|2,0,0]=4
20  B6R1.11  CC(N)C1CC1 B039284 [1,0,0,1,0,0|1,0,1]=4
21  B8R1.2  C#CC1=CCCCC1 B050145 [0,1,0,1,0,0|2,0,0]=4
22  B8R1.5  CC1=NCCCN1C B048583 [0,1,0,1,0,0|2,0,0]=4
23  B8R1.5  NC1CCCNC1=O B039480 [0,1,0,1,0,0|1,0,0]=3
24  B8R1.38  NNC(=O)C1CCC1 B039657 [0,1,0,1,0,0|2,0,0]=4
25  B8R1.8  CCCC1=CC=CS1 B046363 [0,1,0,1,0,0|1,0,1]=4