0  B8R0.22  CCCC(CC)CCC T72101 [1,0,0,0,0,0|3,0,0]=4
1  B8R0.22  CCCC(CO)CCC 77508 [1,0,0,0,0,0|3,0,0]=4
2  B8R0.22  CCCN(CC)CCC D90576 [1,0,0,0,0,0|2,0,0]=3
3  B8R0.22  CCN(CCO)CCO C10661 [1,0,0,0,0,0|0,0,0]=1
4  B10R0.79  C[C@H](O)CN(CCO)CCO D88906 [0,1,0,0,0,0|0,0,0]=1
5  B10R0.107  C[N+](CCO)(CCO)CCO D92580 [0,1,0,0,0,0|0,0,1]=2
6  B10R1.85  ClCCN1CCCCCC1 H11734 [0,0,0,1,0,0|3,0,0]=4
7  B10R1.85  NCCN1CCCCCC1 C11319 [0,0,0,1,0,0|3,0,0]=4
8  B7R0.7  C#CCN(C)CCO W16073 [2,0,0,0,0,0|1,0,1]=4
9  B7R0.7  O=C(CCO)CCO 20750 [2,0,0,0,0,0|1,0,1]=4
10  B7R0.12  C=CCN(CC)CC D89806 [2,0,0,0,0,0|1,0,1]=4
11  B7R0.12  CCN(CC)CC#N D89781 [2,0,0,0,0,0|1,0,1]=4
12  B7R0.12  CCN(CC)CCO D88192 [2,0,0,0,0,0|0,0,0]=2
13  B7R0.12  CCN(CC)CCO D97833 [2,0,0,0,0,0|0,0,0]=2
14  B9R0.15  OCCN(CCO)C(=S)[S-] D88660 [1,1,0,0,0,0|0,1,1]=4
15  B9R0.15  OCCN(CCO)C(=S)[S-] D88661 [1,1,0,0,0,0|0,1,1]=4
16  B9R1.2  CCC1CCCC(O)C1 AC6164 [1,0,0,1,0,0|2,0,0]=4
17  B9R1.7  NCCN1CC[C@H](O)C1 S11096 [1,0,0,1,0,0|1,0,0]=3
18  B9R1.8  BrCCN1CCOCC1 75915 [1,0,0,1,0,0|1,0,0]=3
19  B9R1.8  ClCCN1CCCCC1 D87923 [1,0,0,1,0,0|2,0,0]=4
20  B9R1.8  NCCN1CCSCC1 H11857 [1,0,0,1,0,0|1,1,0]=4
21  B9R1.33  O=C1OCCN1CCO W16065 [1,0,0,1,0,0|0,0,2]=4