0  B4R0.1  CC(S)CS BBC/795 [1,0,0,0,0,0|0,2,1]=4
1  B4R0.1  CSC(=N)N BBC/264 [1,0,0,0,0,0|3,0,0]=4
2  B4R0.1  C\C(N)=N/O BBC/503 [1,0,0,0,0,0|2,0,1]=4
3  B4R0.1  NCC(=O)[O-] BBC/598 [1,0,0,0,0,0|1,0,1]=3
4  B4R0.1  O=C(O)CO BBC/181 [1,0,0,0,0,0|0,0,0]=1
5  B6R0.3  CN(C)C(=O)CBr BBC/075 [0,1,0,0,0,0|3,0,0]=4
6  B6R0.3  COC(C)C(=O)O BBC/046 [0,1,0,0,0,0|0,0,0]=1
7  B6R0.2  CC(=O)\C=C(\C)[O-] BBC/411 [0,0,0,0,0,1|1,0,2]=4
8  B3R0.2  CC(=O)[O-] BBC/813 [2,0,0,0,0,0|0,0,1]=3
9  B3R0.2  O=C([O-])[O-] BBC/797 [2,0,0,0,0,0|0,0,2]=4
10  B5R0.1  CC(=O)NCO BBC/282 [1,1,0,0,0,0|1,0,0]=3
11  B5R0.1  O=C(O)CCBr BBC/178 [1,1,0,0,0,0|0,0,0]=2
12  B5R0.3  CNC(=O)CBr BBC/195 [1,1,0,0,0,0|2,0,0]=4
13  B7R0.2  CC(C)NC(=O)CBr BBB/921 [0,1,0,0,0,1|2,0,0]=4
14  B7R0.2  CNC(C)CC(N)=O BBC/591 [0,1,0,0,0,1|2,0,0]=4
15  B7R0.5  CCOC(=O)[C@H](C)O BBC/170 [0,2,0,0,0,0|0,0,0]=2
16  B7R0.5  CCOC(C)C(N)=O BBC/724 [0,2,0,0,0,0|1,0,0]=3
17  B7R0.10  COC(C)C(=O)NN BBB/628 [0,2,0,0,0,0|1,0,0]=3
18  B7R0.14  CC(C)(C)C(=O)NN BBC/500 [0,2,0,0,0,0|2,0,0]=4
19  B7R0.14  CNC(=O)C(C)(C)C BBC/723 [0,2,0,0,0,0|2,0,0]=4
20  B7R0.15  CCC(OC)C(=O)O BBC/052 [0,2,0,0,0,0|0,0,0]=2
21  B7R0.15  CCC(OC)C(N)=O BBC/725 [0,2,0,0,0,0|1,0,0]=3
22  B7R0.17  CC(C)(O)C(C)(C)O BBC/573 [0,2,0,0,0,0|1,0,1]=4
23  B5R1.2  OC1CNC1 BBC/642 [1,0,0,1,0,0|1,0,1]=4
24  B7R0.6  CC(C)OCC(=O)O BBC/788 [0,0,0,0,0,2|1,0,0]=3