0  B10R1.119  OC1COC(C(C1O)O)O S358045 [0,0,0,0,0,0|0,0,0]=0
1  B9R1.3  CC1OCCC(C1O)O PH008649 [1,0,0,0,0,0|1,0,0]=2
2  B9R1.69  CC1CC(CCC1O)O PH007017 [1,0,0,0,0,0|2,0,0]=3
3  B9R1.69  CC1CCC(C(C1)C)O S436828 [1,0,0,0,0,0|3,0,0]=4
4  B11R1.278  OCC1OCC(C(C1O)O)O S490199 [0,1,0,0,0,0|0,0,0]=1
5  B8R0.1  CCCC(O)CCCO S838322 [1,0,1,0,0,0|2,0,0]=4
6  B8R0.6  CCOCCC(O)CC S347981 [1,0,1,0,0,0|2,0,0]=4
7  B8R0.9  CC(C)OCC(O)CCl S553190 [1,0,1,0,0,0|2,0,0]=4
8  B8R0.2  CC[C@@H](C)[C@H](O)[C@@H](C)O T259209 [1,0,1,0,0,0|2,0,0]=4
9  B8R0.19  C[C@H](CO)C[C@@H](C)CO T297240 [1,0,1,0,0,0|2,0,0]=4
10  B8R0.23  CC(O)CC(O)C(C)C PH010921 [1,0,1,0,0,0|2,0,0]=4
11  B8R1.4  CC1CC(CCN1)O CDS008819 [2,0,0,0,0,0|2,0,0]=4
12  B8R1.5  N[C@@H]1CCCC[C@H]1O CDS003416 [2,0,0,0,0,0|2,0,0]=4
13  B8R1.5  N[C@H]1CCCC[C@@H]1O CDS003415 [2,0,0,0,0,0|2,0,0]=4
14  B8R1.5  OC1CCCCC1Br PH007482 [2,0,0,0,0,0|2,0,0]=4
15  B8R1.5  O[C@@H]1CNCC[C@H]1F OMC00066 [2,0,0,0,0,0|2,0,0]=4
16  B8R1.3  N[C@H]1CC[C@@H](CC1)O CDS003274 [2,0,0,0,0,0|2,0,0]=4
17  B8R1.3  N[C@H]1CC[C@H](CC1)O CDS019704 [2,0,0,0,0,0|2,0,0]=4
18  B10R0.82  CC(O)C(=O)OCC(O)CO PH007087 [0,1,1,0,0,0|0,0,2]=4
19  B10R0.115  CC(CO)CCC(C)(O)CO S432962 [0,1,1,0,0,0|2,0,0]=4
20  B10R0.56  C(C)(O)C(O)C(O)C(O)CO S965022 [0,1,1,0,0,0|0,0,0]=2
21  B10R1.118  CC1CC(C(CC1O)O)C R179647 [1,1,0,0,0,0|2,0,0]=4
22  B12R1.14  CO[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)C S963100 [0,2,0,0,0,0|0,0,0]=2
23  B12R1.14  NC1C(OC(C(C1N)O)CO)O S469823 [0,2,0,0,0,0|2,0,0]=4
24  B12R1.14  NC1C(OC(C(C1O)O)CO)O S487171 [0,2,0,0,0,0|1,0,0]=3
25  B12R1.14  NCC1OC(C(C(C1O)O)N)O S336793 [0,2,0,0,0,0|1,0,0]=3
26  B12R1.14  N[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1O)O)CO)O L169234 [0,2,0,0,0,0|1,0,0]=3
27  B12R1.3795  OC1C(C(C(C(C1O)O)O)O)O PH000119 [0,2,0,0,0,0|1,0,0]=3
28  B12R1.3860  OC[C@@]1(OC[C@H]([C@@H]([C@@H]1O)O)O)O S574287 [0,2,0,0,0,0|0,0,0]=2
29  B8R1.50  CC1CCC(C1O)O S352810 [1,0,0,0,1,0|1,0,0]=3
30  B8R1.50  C[C@H]1[C@@H](CC[C@H]1O)C T297410 [1,0,0,0,1,0|2,0,0]=4