0  B8R0.28  CC(=O)CCCC(O)=O AC180079 [0,0,0,0,0,0|3,0,1]=4
1  B8R0.28  CN(C)CCCC(O)=O AC130623 [0,0,0,0,0,0|3,0,1]=4
2  B9R0.53  CC(=CC(=O)C=C(C)C)C LN00174837 [0,1,0,0,0,0|2,0,1]=4
3  B9R0.53  CC(C)=CC(=O)C=C(C)C AC512074 [0,1,0,0,0,0|2,0,1]=4
4  B9R0.56  CC(=O)OCC[N+](C)(C)C HY-B0282 [0,1,0,0,0,0|1,1,1]=4
5  B9R0.56  CC(=O)SCC[N+](C)(C)C AC290020 [0,1,0,0,0,0|1,0,1]=3
6  B9R1.35  CC(=O)C1=CC=C(C)S1 AC180308 [0,0,0,1,0,0|2,0,1]=4
7  B9R1.49  CN1CCCC(=O)CC1 AC182168 [0,0,0,1,0,0|2,0,1]=4
8  B9R1.49  CN1CCNC(=O)CC1 AC182365 [0,0,0,1,0,0|2,0,1]=4
9  B9R1.53  CC(=O)OC1CC(=O)N1 AC280001 [0,0,0,1,0,0|2,1,0]=4
10  B9R1.66  CC1(C)CC(=O)CCO1 AC050266 [0,0,0,1,0,0|2,0,1]=4
11  B7R0.6  CC(=O)CCC(C)=O AC130061 [0,0,0,0,1,0|1,0,1]=3
12  B7R0.6  CC(C)NNC(C)=O AC021553 [0,0,0,0,1,0|2,0,1]=4
13  B7R0.6  CN(C)CCC(O)=O AC511515 [0,0,0,0,1,0|2,0,1]=4
14  B6R0.4  CN(C)/C=C/C=O AC021056 [2,0,0,0,0,0|1,0,1]=4
15  B6R0.4  OC(=O)CCC=C AC511045 [2,0,0,0,0,0|2,0,0]=4
16  B8R1.7  OC(=O)C1CC=CC1 AC180693 [1,0,0,1,0,0|2,0,0]=4
17  B8R1.51  CC1(C)CCC(=O)C1 AC120015 [0,0,0,1,1,0|0,0,2]=4
18  B6R0.2  CC(C)CC(N)=O HY-B1229 [0,0,0,0,2,0|1,0,1]=4
19  B6R0.2  CN(C)CC(O)=O AC130146 [0,0,0,0,2,0|2,0,0]=4
20  B6R0.2  CN(C)CC(O)=O AC130178 [0,0,0,0,2,0|2,0,0]=4