0  B7R0.9  CC(C)(CC(=O)O)O S6124 [0,0,0,0,0,0|2,0,1]=3
1  B7R0.9  C[N+](C)(C)CC(=O)[O-] S3755 [0,0,0,0,0,0|0,0,0]=0
2  B6R0.2  CC(=CC(=O)O)C S6247 [1,0,0,0,0,0|1,0,2]=4
3  B6R0.2  CC(C)CC(=O)N S4116 [1,0,0,0,0,0|2,0,0]=3
4  B6R0.2  CC(C)CC(=O)O S6287 [1,0,0,0,0,0|1,0,1]=3
5  B6R0.2  CC(CC(=O)O)O S1031 [1,0,0,0,0,0|2,0,1]=4
6  B6R0.2  CN(C)CC(=O)O S6056 [1,0,0,0,0,0|0,0,2]=3
7  B6R0.5  C[N+](C)(C)CCO S4171 [1,0,0,0,0,0|0,0,2]=3
8  B8R0.27  CC(C)(C(C(=O)O)N)S S1853 [0,1,0,0,0,0|2,0,1]=4
9  B8R0.27  CC(C)(C(C(=O)O)N)S S1853 [0,1,0,0,0,0|2,0,1]=4
10  B6R0.7  CC(C)(C(=O)O)N S6270 [0,0,0,0,1,0|2,0,1]=4
11  B6R0.7  CC(C)(C(=O)O)O S6307 [0,0,0,0,1,0|2,0,1]=4
12  B5R0.1  CCCC(=O)[O-] S1999 [2,0,0,0,0,0|1,0,0]=3
13  B5R0.1  CCCC(=O)[O-] S1999 [2,0,0,0,0,0|1,0,0]=3
14  B5R0.1  CNCC(=O)O S4702 [2,0,0,0,0,0|0,0,2]=4
15  B5R0.1  CNCC(=O)O S4702 [2,0,0,0,0,0|0,0,2]=4
16  B7R0.2  CCC(C)CC(=O)O S6089 [1,1,0,0,0,0|1,0,1]=4
17  B7R0.16  CC(C)C(C(=O)O)N S5628 [1,1,0,0,0,0|1,0,1]=4
18  B7R0.16  CC(C)C(C(=O)O)O S6098 [1,1,0,0,0,0|1,0,1]=4
19  B9R1.138  CC1(COC(=O)C1O)C S6027 [0,1,0,1,0,0|1,0,1]=4
20  B5R0.5  CC(C(=O)[O-])O S4829 [1,0,0,0,1,0|2,0,0]=4
21  B5R0.5  CC(C(=O)[O-])O S5625 [1,0,0,0,1,0|2,0,0]=4
22  B5R0.5  CC(C(=O)[O-])O S6010 [1,0,0,0,1,0|2,0,0]=4
23  B7R0.6  CC(C)CCC(=O)O S6278 [1,0,0,0,0,1|1,0,1]=4
24  B9R0.56  CC(=O)OCC[N+](C)(C)C S1805 [0,0,0,0,0,2|1,0,0]=3
25  B9R0.56  CC(=O)OCC[N+](C)(C)C S1805 [0,0,0,0,0,2|1,0,0]=3
26  B9R0.56  CC(=O)OCC[N+](C)(C)C S4718 [0,0,0,0,0,2|1,0,0]=3
27  B9R0.56  CC(=O)OCC[N+](C)(C)C S4718 [0,0,0,0,0,2|1,0,0]=3
28  B9R0.56  C[N+](C)(C)CCOC(N)=O S4359 [0,0,0,0,0,2|1,0,0]=3
29  B9R0.56  C[N+](C)(C)CCOC(N)=O S4359 [0,0,0,0,0,2|1,0,0]=3
30  B9R0.56  C[N+](C)(C)NCCC(=O)[O-] S4130 [0,0,0,0,0,2|0,0,0]=2