0  B7R0.6  C(CC(=O)O)C(=O)O LS40373 [1,0,0,0,0,0|3,0,0]=4
1  B7R0.6  C(CC(=O)[O-])C(=O)[O-] LS40932 [1,0,0,0,0,0|3,0,0]=4
2  B7R0.6  CC(=O)CCC(=O)O LS41171 [1,0,0,0,0,0|2,0,0]=3
3  B9R1.35  C1CC(=O)N[C@H]1C(=O)O LS30084 [0,0,0,1,0,0|2,0,0]=3
4  B9R1.69  CC1CN(CCC1=O)C LS40400 [0,0,0,1,0,0|3,0,0]=4
5  B7R0.16  CC(C(=O)O)C(=O)O LS41650 [0,0,0,0,1,0|2,0,0]=3
6  B9R0.7  C[C@H](CSC(=O)C)C(=O)O LS30262 [0,0,0,0,0,1|1,1,0]=3
7  B6R0.3  CC(=O)N(C)OC LS41178 [2,0,0,0,0,0|1,0,0]=3
8  B8R0.9  C(CC(=O)O)C(=O)CN LS41389 [1,1,0,0,0,0|2,0,0]=4
9  B8R0.9  CC(=O)OCC(=O)CCl LS41612 [1,1,0,0,0,0|0,0,0]=2
10  B8R1.18  Cc1c(oc(n1)C)C LS20281 [1,0,0,1,0,0|1,0,1]=4
11  B8R1.7  C1CC(OC1)C(=O)O LS21156 [1,0,0,1,0,0|1,0,1]=4
12  B8R1.7  C1C[C@@H](OC1)C(=O)O LS30181 [1,0,0,1,0,0|1,0,1]=4
13  B8R1.7  C1C[C@H](OC1)C(=O)O LS30180 [1,0,0,1,0,0|1,0,1]=4
14  B8R1.23  C1C(CC1=O)C(=O)O LS00009 [1,0,0,1,0,0|2,0,0]=4
15  B8R1.50  C1CC(=O)N(C1=O)I LS00001 [0,0,0,1,1,0|2,0,0]=4
16  B8R1.50  C1CC(=O)N(C1=O)O LS00022 [0,0,0,1,1,0|2,0,0]=4
17  B10R1.13  CC(=O)N1CCC(=O)CC1 LS41887 [0,0,0,1,0,1|2,0,0]=4