0  B7R0.1  C=CCCCCCCl I11994 [0,0,0,0,0,0|2,0,1]=3
1  B7R0.1  C=CCCCCCO F14745 [0,0,0,0,0,0|1,1,1]=3
2  B7R0.1  O=CCCCCCCl 24359 [0,0,0,0,0,0|3,0,1]=4
3  B6R0.6  C=CCCCC=C T72268 [1,0,0,0,0,0|1,0,1]=3
4  B6R0.6  C=CCSCCN AT25545 [1,0,0,0,0,0|2,0,1]=4
5  B6R0.6  COCCN=C=O D87777 [1,0,0,0,0,0|1,1,1]=4
6  B6R0.6  CSCCN=C=S AT25553 [1,0,0,0,0,0|1,0,1]=3
7  B6R0.6  [N-]=[N+]=NCCCN F19638 [1,0,0,0,0,0|3,0,0]=4
8  B8R0.4  C=CCCNCCOC E72576 [0,1,0,0,0,0|3,0,0]=4
9  B8R1.2  CO[C@@H]1C=CCCC1 D91600 [0,0,0,1,0,0|3,0,0]=4
10  B8R1.5  C=C1CCCNC1=O D80229 [0,0,0,1,0,0|0,1,2]=4
11  B8R1.8  C=CC[C@H]1CCCN1 N15483 [0,0,0,1,0,0|2,0,1]=4
12  B5R0.2  C=CCCC#N C16042 [2,0,0,0,0,0|0,0,2]=4
13  B5R0.2  C=CCCON S12259 [2,0,0,0,0,0|1,0,1]=4
14  B7R1.3  C=C1CCCNC1 W15931 [1,0,0,1,0,0|0,0,2]=4
15  B7R1.3  N[C@@H]1C=CCCC1 AB10372 [1,0,0,1,0,0|1,0,1]=4
16  B7R1.5  C=CC[C@H]1C[C@@H]1O F50023 [1,0,0,1,0,0|0,1,1]=4