0  B9R0.45  C(CCCCN)CCCN DIA [0,0,0,0,0,0|2,0,0]=2
1  B9R0.45  C(CCCCO)CCCO ODI [0,0,0,0,0,0|4,0,0]=4
2  B9R0.45  C(CCNCCCN)CN SPD [0,0,0,0,0,0|3,0,0]=3
3  B9R0.45  C(CNCCNCCN)N 104 [0,0,0,0,0,0|0,0,0]=0
4  B9R0.45  C(COCCOCCO)O PGE [0,0,0,0,0,0|4,0,0]=4
5  B9R0.45  C(COCCOCCO)O PIG [0,0,0,0,0,0|4,0,0]=4
6  B9R0.45  CCCCCCCCCC D10 [0,0,0,0,0,0|4,0,0]=4
7  B9R0.45  CCCCCCCCCO F09 [0,0,0,0,0,0|4,0,0]=4
8  B8R0.4  C(CCNCCN)CN P24 [1,0,0,0,0,0|0,0,0]=1
9  B8R0.4  C(CN)CNCCCN NSD [1,0,0,0,0,0|2,0,0]=3
10  B8R0.4  CCCCCCCCC DD9 [1,0,0,0,0,0|3,0,0]=4
11  B8R0.4  CCCCCCCCO OC9 [1,0,0,0,0,0|3,0,0]=4
12  B8R0.4  CCOCCOCCO AE3 [1,0,0,0,0,0|3,0,0]=4
13  B10R0.71  C(CCNCCCCN)CN 37Z [0,1,0,0,0,0|2,0,0]=3
14  B10R0.71  C(CCNCCCN)CCS SS9 [0,1,0,0,0,0|2,0,0]=3
15  B10R1.17  CCCC[C@@H]1CCCNC1 DIY [0,0,0,1,0,0|3,0,0]=4
16  B7R0.1  C(CCC=O)CCN DNL [2,0,0,0,0,0|1,0,1]=4
17  B7R0.1  C(CCCBr)CCO BHL [2,0,0,0,0,0|2,0,0]=4
18  B7R0.1  C(CCCN)CCN 16D [2,0,0,0,0,0|0,0,0]=2
19  B7R0.1  C(CCCO)CCN 6AH [2,0,0,0,0,0|1,0,0]=3
20  B7R0.1  C(CCCO)CCO HEZ [2,0,0,0,0,0|2,0,0]=4
21  B7R0.1  CCCCCCCC OCT [2,0,0,0,0,0|2,0,0]=4
22  B7R0.1  CCCCCCCO HE4 [2,0,0,0,0,0|2,0,0]=4
23  B9R0.2  C(CCNCC(=O)O)CN NLY [1,1,0,0,0,0|1,0,1]=4
24  B11R0.148  C(CCCN)CCCNC(N)N GC7 [0,2,0,0,0,0|2,0,0]=4
25  B9R1.8  C1COCCN1CCN EMR [1,0,0,1,0,0|1,0,0]=3