0  B10R0.71  NCCCCNCCCCN A11493 [0,0,0,0,0,0|3,0,0]=3
1  B10R0.71  OCCOCCCOCCO D84669 [0,0,0,0,0,0|2,2,0]=4
2  B9R0.45  CCCCOCCCCO S11917 [1,0,0,0,0,0|1,1,0]=3
3  B9R0.45  CCCOCCOCCO D97202 [1,0,0,0,0,0|2,1,0]=4
4  B11R0.3  C#CCOCCCCCCCBr D81456 [0,1,0,0,0,0|2,0,1]=4
5  B11R0.3  CCCCCCCCCCNC A11532 [0,1,0,0,0,0|2,0,0]=3
6  B11R0.3  CCCCCCCCSCCO A10652 [0,1,0,0,0,0|1,1,0]=3
7  B11R0.3  CNCCCCCCCCNC D93197 [0,1,0,0,0,0|3,0,0]=4
8  B11R0.148  NCCCCCCCCC(=O)O D94864 [0,1,0,0,0,0|1,1,1]=4
9  B11R1.4  NCCCCCN1CCCC1 C73117 [0,0,0,1,0,0|3,0,0]=4
10  B11R1.4  OCCCCO[C@@H]1CCCO1 A10551 [0,0,0,1,0,0|1,2,0]=4
11  B11R1.28  BrCCCCC1CCNCC1 56722 [0,0,0,1,0,0|3,0,0]=4
12  B11R1.28  BrCCCCN1CCCCC1 AC7493 [0,0,0,1,0,0|3,0,0]=4
13  B11R1.28  CCCCO[C@@H]1CCCCO1 D80647 [0,0,0,1,0,0|2,1,0]=4
14  B11R1.28  OCCCCC1CCCCC1 F53310 [0,0,0,1,0,0|1,1,0]=3
15  B11R1.28  OCCCCC1CCNCC1 67437 [0,0,0,1,0,0|2,1,0]=4
16  B11R1.28  OCCCCC1CCNCC1 67438 [0,0,0,1,0,0|2,1,0]=4
17  B11R1.28  OCCCC[C@H]1CCCCN1 31923 [0,0,0,1,0,0|1,1,0]=3
18  B8R0.4  COCCCCCCBr S10679 [2,0,0,0,0,0|2,0,0]=4
19  B10R0.4  C=CCCCCCC[C@H](C)O W11241 [1,1,0,0,0,0|1,0,1]=4
20  B12R0.5  C#CCCCCCCCCCCO W16726 [0,2,0,0,0,0|1,1,0]=4
21  B12R0.5  CCOCCCCCCCCCO C12008 [0,2,0,0,0,0|0,2,0]=4
22  B12R0.5  OCCCCCCCCCCCS C76355 [0,2,0,0,0,0|0,1,0]=3
23  B12R0.5  OCCOCCOCCOCCS AC7208 [0,2,0,0,0,0|1,1,0]=4
24  B12R0.206  CCCCCCO[C@@H](C)CCCC A11150 [0,2,0,0,0,0|2,0,0]=4
25  B12R0.234  CCCCCCCCCCC(N)=O Y14687 [0,2,0,0,0,0|1,1,0]=4
26  B10R1.17  BrCCOC1CCCCC1 C77571 [1,0,0,1,0,0|2,0,0]=4
27  B10R1.17  CCCCC1CCNCC1 25962 [1,0,0,1,0,0|2,0,0]=4
28  B10R1.17  COCC[C@H]1CCCCN1 C71587 [1,0,0,1,0,0|2,0,0]=4
29  B10R1.17  OCCC[C@H]1CCCCN1 59724 [1,0,0,1,0,0|1,1,0]=4
30  B10R1.17  OCCC[C@H]1CCCNC1 AC1697 [1,0,0,1,0,0|1,1,0]=4
31  B10R1.78  O=C1CCCCCCCC1 AC8766 [1,0,0,1,0,0|0,1,1]=4
32  B10R1.85  NCCN1CCCCCC1 52073 [1,0,0,1,0,0|2,0,0]=4
33  B10R1.161  O=CC1CCCCCCC1 59424 [1,0,0,1,0,0|0,1,1]=4
34  B12R1.8  OCCCCCN1CCCCC1 T72240 [0,1,0,1,0,0|1,1,0]=4
35  B12R2.2  C1CCC([C@@H]2CCCN2)CC1 AR1073 [0,0,0,2,0,0|2,0,0]=4
36  B12R2.24  CC1CCC2CCCCC2C1 D93419 [0,0,0,2,0,0|2,0,0]=4
37  B12R2.1081  NC1CCCC2CCCCC12 72705 [0,0,0,2,0,0|2,0,0]=4