0  B11R0.3  CCCCCCCCCCNC A11532 [0,0,0,0,0,0|2,0,2]=4
1  B11R0.3  CCCCCCCCSCCO A10652 [0,0,0,0,0,0|1,0,1]=2
2  B12R0.5  C#CCCCCCCCCCCO W16726 [0,1,0,0,0,0|0,0,3]=4
3  B12R0.5  CCOCCCCCCCCCO C12008 [0,1,0,0,0,0|0,0,2]=3
4  B12R0.5  OCCCCCCCCCCCS C76355 [0,1,0,0,0,0|0,0,2]=3
5  B12R1.8  OCCCCCN1CCCCC1 T72240 [0,0,0,1,0,0|1,0,2]=4
6  B12R1.37  SCCCCCCC1=CCC=C1 TD8104 [0,0,0,1,0,0|2,0,1]=4
7  B9R0.45  CCCCOCCCCO S11917 [2,0,0,0,0,0|1,0,0]=3
8  B9R0.45  CCCOCCOCCO D97202 [2,0,0,0,0,0|2,0,0]=4
9  B11R0.40  COC(=O)CCCCCCCBr D94848 [1,1,0,0,0,0|2,0,0]=4
10  B11R0.148  NCCCCCCCCC(=O)O D94864 [1,1,0,0,0,0|1,0,1]=4
11  B13R0.336  C#CCCCCCCCCCCCO D92924 [0,2,0,0,0,0|0,0,2]=4
12  B11R1.28  CCCCO[C@@H]1CCCCO1 D80647 [1,0,0,1,0,0|1,0,1]=4
13  B11R1.28  OCCCCC1CCCCC1 F53310 [1,0,0,1,0,0|0,0,1]=3
14  B11R1.28  OCCCCC1CCNCC1 67437 [1,0,0,1,0,0|1,0,1]=4
15  B11R1.28  OCCCCC1CCNCC1 67438 [1,0,0,1,0,0|1,0,1]=4
16  B11R1.28  OCCCC[C@H]1CCCCN1 31923 [1,0,0,1,0,0|1,0,1]=4
17  B13R1.9  CCCCCCC1CCC(=O)CC1 W17270 [0,1,0,1,0,0|1,0,1]=4