0  B5R0.2  CC\C=C\CC BBC/270 [0,0,0,0,0,0|1,0,2]=3
1  B5R0.2  CNCCOC BBB/960 [0,0,0,0,0,0|3,0,0]=3
2  B6R0.1  CCCC(=O)NN BBC/636 [0,1,0,0,0,0|2,0,1]=4
3  B6R0.1  CCNC(=O)CBr BBB/922 [0,1,0,0,0,0|2,0,1]=4
4  B6R0.1  CCNC(C)CC BBB/926 [0,1,0,0,0,0|2,0,0]=3
5  B6R0.1  CCOC(C)CN BBB/989 [0,1,0,0,0,0|2,0,0]=3
6  B6R0.1  CCOC(C)CN BBC/008 [0,1,0,0,0,0|2,0,0]=3
7  B6R0.1  CNCC(C)OC BBB/961 [0,1,0,0,0,0|3,0,0]=4
8  B6R0.4  CNCCC(N)=O BBB/903 [0,1,0,0,0,0|1,0,2]=4
9  B6R0.6  CCNCCCN BBC/176 [0,1,0,0,0,0|1,0,0]=2
10  B6R0.6  CCOCCNC BBC/039 [0,1,0,0,0,0|2,0,0]=3
11  B6R1.1  C1CNCCN1 BBC/189 [0,0,0,1,0,0|2,0,0]=3
12  B5R0.1  CC(=O)NCO BBC/282 [1,1,0,0,0,0|1,0,1]=4
13  B5R0.1  O=C(O)CCBr BBC/178 [1,1,0,0,0,0|1,0,1]=4
14  B7R0.2  CNC(C)CC(C)C BBC/037 [0,2,0,0,0,0|2,0,0]=4
15  B7R0.3  CCC(Cl)CCCCl BBC/272 [0,2,0,0,0,0|1,0,0]=3
16  B7R0.3  COCC\C(N)=N/O BBC/016 [0,2,0,0,0,0|1,0,1]=4
17  B7R0.5  CCOC(=O)[C@H](C)O BBC/170 [0,2,0,0,0,0|1,0,1]=4
18  B7R0.7  CCOC(C)CNC BBB/937 [0,2,0,0,0,0|2,0,0]=4
19  B7R0.12  COCC(CO)OC BBC/764 [0,2,0,0,0,0|1,0,0]=3
20  B7R0.4  CC(C)OCCC#N BBB/970 [0,2,0,0,0,0|1,0,1]=4
21  B7R0.4  CC(C)OCCCO BBB/1011 [0,2,0,0,0,0|0,0,0]=2
22  B7R0.6  CC(C)OCC(=O)O BBC/788 [0,2,0,0,0,0|1,0,1]=4
23  B7R0.8  CCNCC(C)(C)C BBB/909 [0,2,0,0,0,0|2,0,0]=4
24  B7R0.8  CS(=O)(=O)CCCO BBB/974 [0,2,0,0,0,0|1,0,0]=3
25  B7R0.1  N#CCCNCCO BBC/757 [0,2,0,0,0,0|0,0,1]=3
26  B7R0.1  NCCSSCCN BBC/119 [0,2,0,0,0,0|2,0,0]=4
27  B5R1.2  OC1CNC1 BBC/642 [1,0,0,1,0,0|1,0,0]=3
28  B7R1.1  COC1=NCCC1 BBC/345 [0,1,0,1,0,0|1,0,1]=4