0  B9R0.45  C(CCNCCCN)CN S3653 [0,0,0,0,0,0|3,0,0]=3
1  B9R0.45  C(CNCCNCCN)N S6585 [0,0,0,0,0,0|0,0,0]=0
2  B9R0.45  C(CNCCNCCN)N S6585 [0,0,0,0,0,0|0,0,0]=0
3  B9R0.45  C(COCCI)OCCI S1783 [0,0,0,0,0,0|4,0,0]=4
4  B9R0.45  C(COCCOCCBr)O S1684 [0,0,0,0,0,0|4,0,0]=4
5  B9R0.45  C(COCCOCCN)N S1347 [0,0,0,0,0,0|2,0,0]=2
6  B9R0.45  C(COCCOCCO)N S1650 [0,0,0,0,0,0|3,0,0]=3
7  B9R0.45  C(COCCOCCO)O S1954 [0,0,0,0,0,0|4,0,0]=4
8  B10R0.71  COCCOCCOCCN S0667 [0,1,0,0,0,0|3,0,0]=4
9  B7R0.1  C(CSSCCN)N S3695 [2,0,0,0,0,0|2,0,0]=4
10  B7R0.1  COCCOCCN S0639 [2,0,0,0,0,0|2,0,0]=4
11  B9R0.2  CC(=O)NCCCCCN S6187 [1,1,0,0,0,0|1,0,1]=4