0  B6R0.6  CCCCON=O R000TD [1,0,0,0,0,0|1,0,0]=2
1  B8R0.8  CCCC[C@H](C(=O)O)N R00105 [0,1,0,0,0,0|2,0,0]=3
2  B8R0.28  CC(C)CCCC(C)N R000SF [0,1,0,0,0,0|2,0,1]=4
3  B8R1.7  C1C[C@@H](NC1)C(=O)O R00104 [0,0,0,1,0,0|3,0,0]=4
4  B8R1.7  C1C[C@H](NC1)C(=O)N R000UN [0,0,0,1,0,0|3,0,0]=4
5  B8R1.22  C1CCCC(=O)CC1 R000SI [0,0,0,1,0,0|1,0,0]=2
6  B8R1.72  C1CCS(=O)(=O)OC1 R0010M [0,0,0,1,0,0|2,0,0]=3
7  B5R0.2  CCCCC#C R0019A [2,0,0,0,0,0|0,0,2]=4
8  B5R0.2  COCCCO R0012O [2,0,0,0,0,0|1,0,0]=3
9  B5R0.2  COCCCO R0013A [2,0,0,0,0,0|1,0,0]=3
10  B5R0.2  COCCOC R0012V [2,0,0,0,0,0|1,0,0]=3
11  B7R0.3  CCC#CC(=O)OC R0015I [1,1,0,0,0,0|0,0,2]=4
12  B7R0.3  COC(=O)CCC=O R0013M [1,1,0,0,0,0|1,0,1]=4
13  B7R0.1  CCCCCON=O R000TE [1,1,0,0,0,0|1,0,0]=3
14  B7R0.1  CCOCCOCC R0012Z [1,1,0,0,0,0|0,0,1]=3
15  B7R1.3  C=C1CCNCC1 R000V4 [1,0,0,1,0,0|2,0,0]=4
16  B7R1.3  CC1CCCCN1 R000XY [1,0,0,1,0,0|1,0,1]=4
17  B7R1.1  C1CCC(C1)C=O R0017D [1,0,0,1,0,0|1,0,0]=3
18  B9R1.34  CC1CC(=O)OC(=O)C1 R000ZM [0,1,0,1,0,0|0,0,1]=3
19  B9R1.66  CC1(CCCC(=O)C1)C R000UE [0,1,0,1,0,0|1,0,0]=3
20  B9R1.11  COC(=O)C1CCNC1 R0019R [0,1,0,1,0,0|2,0,0]=4
21  B9R1.49  CN1CCCC(=O)CC1 R000TP [0,1,0,1,0,0|2,0,0]=4
22  B9R1.50  C1CCCC(=O)CCC1 R000TU [0,1,0,1,0,0|1,0,0]=3
23  B9R1.6  C1CC(CNC1)C(=O)O R000YS [0,1,0,1,0,0|2,0,0]=4
24  B9R1.6  C1CCNC(C1)C(=O)O R000YU [0,1,0,1,0,0|2,0,0]=4
25  B9R1.6  C1CCNC(C1)C(=O)O R0014A [0,1,0,1,0,0|2,0,0]=4
26  B9R1.6  C1CCN[C@@H](C1)C(=O)O R000YT [0,1,0,1,0,0|2,0,0]=4
27  B9R1.6  C1CNCCC1C(=O)N R000Y4 [0,1,0,1,0,0|2,0,0]=4
28  B9R1.6  C1CNCCC1C(=O)O R000YR [0,1,0,1,0,0|2,0,0]=4