0  B5R0.1  CCOC(=S)Cl 470560 [0,0,0,0,0,0|1,1,2]=4
1  B5R0.1  CCOC(N)=S 105176 [0,0,0,0,0,0|1,1,2]=4
2  B5R0.1  [2H]C(=O)OCC 105259 [0,0,0,0,0,0|1,0,2]=3
3  B4R0.1  COC(N)=S 105257 [1,0,0,0,0,0|1,1,1]=4
4  B4R0.1  [13CH](=O)N(C)C 105188 [1,0,0,0,0,0|3,0,0]=4
5  B4R0.1  [2H]C(=O)OC 105254 [1,0,0,0,0,0|1,0,1]=3
6  B4R0.2  COCC=O 105128 [1,0,0,0,0,0|2,0,1]=4
7  B6R0.1  CCOC(=O)OC 075947 [0,1,0,0,0,0|0,0,2]=3
8  B6R0.2  CC(=O)OC(C)=O 035908 [0,1,0,0,0,0|0,0,1]=2
9  B6R0.4  CCCCC(C)=O 098350 [0,1,0,0,0,0|1,0,2]=4
10  B6R0.4  O=CNCC(=O)O 242940 [0,1,0,0,0,0|3,0,0]=4
11  B3R0.2  CC(=O)O 035907 [2,0,0,0,0,0|0,0,0]=2
12  B3R0.2  CC(=O)O 044721 [2,0,0,0,0,0|0,0,0]=2
13  B3R0.2  CC(C)=O 050332 [2,0,0,0,0,0|0,0,1]=3
14  B3R0.2  O=C(O)O 094746 [2,0,0,0,0,0|1,0,0]=3
15  B3R0.2  O=C(O)O 105338 [2,0,0,0,0,0|1,0,0]=3
16  B3R0.2  O=C([O-])[O-] 044706 [2,0,0,0,0,0|1,0,1]=4
17  B3R0.2  O=C([O-])[O-] 245931 [2,0,0,0,0,0|1,0,1]=4
18  B3R0.2  [2H]C(=O)O 105268 [2,0,0,0,0,0|1,0,0]=3
19  B3R0.2  [2H]C(=O)[O-] 105199 [2,0,0,0,0,0|1,0,1]=4
20  B5R0.3  CNC(=O)NN 237741 [1,1,0,0,0,0|2,0,0]=4
21  B7R0.2  C=CC(C)CC(=O)O 229282 [0,2,0,0,0,0|2,0,0]=4
22  B7R0.3  C=CCOC(=O)CBr 246134 [0,2,0,0,0,0|0,0,0]=2
23  B7R0.5  C=CCC(F)C(C)=O 049763 [0,2,0,0,0,0|1,0,0]=3
24  B7R0.7  CCOC(=O)OCC 094215 [0,2,0,0,0,0|0,0,2]=4
25  B7R0.16  CC(=O)C(F)C(C)=O 049764 [0,2,0,0,0,0|1,0,1]=4
26  B7R1.1  CNC1=NC=CS1 077682 [0,1,0,1,0,0|1,1,0]=4