0  B9R0.53  CC(C)CC(C)CC(=O)O MC112321 [0,0,0,0,0,0|3,0,1]=4
1  B9R0.53  CC(C)CC(N)CC(=O)O CS19014 [0,0,0,0,0,0|3,0,1]=4
2  B9R0.53  CC(C)CC(N)CC(=O)O MC439109 [0,0,0,0,0,0|3,0,1]=4
3  B8R0.28  CC(C)CCCC(C)N MC446672 [1,0,0,0,0,0|1,0,0]=2
4  B8R0.28  CC(C)N=C=NC(C)C MC439141 [1,0,0,0,0,0|2,0,1]=4
5  B10R1.54  CN(C)CC1CCN(C)C1 MC100099 [0,0,0,1,0,0|3,0,0]=4
6  B8R0.23  CC(C)CC(O)C(=O)O MC426019 [0,0,0,0,1,0|2,0,1]=4
7  B8R0.23  CC(C)CC(O)C(=O)O MC437768 [0,0,0,0,1,0|2,0,1]=4
8  B8R0.23  CC(C)CC(O)C(=O)O MC446675 [0,0,0,0,1,0|2,0,1]=4
9  B7R0.2  CC(C)CC(N)CO CS14853 [2,0,0,0,0,0|2,0,0]=4
10  B7R0.2  CC(C)CC(N)CO CS19307 [2,0,0,0,0,0|2,0,0]=4
11  B7R0.2  CN(C)CC(O)CO CS15349 [2,0,0,0,0,0|2,0,0]=4
12  B7R0.4  CC(O)CCCCO MC112436 [2,0,0,0,0,0|2,0,0]=4
13  B7R0.4  CCCCCC(C)O CS21570 [2,0,0,0,0,0|1,0,0]=3
14  B7R0.4  CN(C)CCCCO CS22813 [2,0,0,0,0,0|2,0,0]=4
15  B7R0.4  COCCCC(C)N MC112163 [2,0,0,0,0,0|2,0,0]=4
16  B7R0.7  CCCC(N)CCO CS16692 [2,0,0,0,0,0|2,0,0]=4
17  B9R1.13  CN(C)CC1CCCN1 MC100101 [1,0,0,1,0,0|2,0,0]=4
18  B9R1.13  CN(C)CC1CCCN1 MC105476 [1,0,0,1,0,0|2,0,0]=4
19  B9R1.66  CC1(C)CC(N)CCO1 MC115908 [1,0,0,1,0,0|2,0,0]=4
20  B9R1.66  CC1(C)CCCC(=O)C1 MC10482 [1,0,0,1,0,0|0,0,2]=4
21  B9R1.35  CC(C)N1CCC(N)C1 CS18842 [1,0,0,1,0,0|2,0,0]=4
22  B9R1.49  CN1CCCC(N)CC1 MC444311 [1,0,0,1,0,0|2,0,0]=4
23  B9R1.49  CN1CCCC(O)CC1 CS13879 [1,0,0,1,0,0|2,0,0]=4
24  B11R1.166  CC1CCC(C(C)C)C(O)C1 CS11550 [0,1,0,1,0,0|0,0,0]=2
25  B11R1.166  CC1CCC(C(C)C)C(O)C1 MC41830 [0,1,0,1,0,0|0,0,0]=2
26  B11R1.166  CC1CCC(C(C)C)C(O)C1 MC41843 [0,1,0,1,0,0|0,0,0]=2
27  B11R1.1362  CC1(C)CC(N)CC(C)(C)N1 CS21959 [0,1,0,1,0,0|1,0,0]=3
28  B11R2.433  NC1CC2CCN(CC2)C1 MC104095 [0,0,0,2,0,0|2,0,0]=4
29  B7R0.6  CC(C)CCC(C)N MC446673 [1,0,0,0,1,0|1,0,0]=3
30  B7R0.6  CN(C)CCN(C)C MC425151 [1,0,0,0,1,0|2,0,0]=4
31  B7R0.6  CN(C)CCN(C)C MC444920 [1,0,0,0,1,0|2,0,0]=4
32  B7R0.16  CC(C)C(N)C(C)C CS17730 [0,0,0,0,2,0|1,0,0]=3
33  B11R0.85  CC(C)NCC(O)CNC(C)C MC445488 [0,0,0,0,0,2|0,0,0]=2