0  B6R0.1  CC(COC)OC R00135 [0,0,0,0,0,0|3,0,0]=3
1  B5R0.2  C#CCCCCl R0014C [1,0,0,0,0,0|2,0,1]=4
2  B5R0.2  C#CCCCO R0018S [1,0,0,0,0,0|2,0,1]=4
3  B5R0.2  CCCCC#C R0019A [1,0,0,0,0,0|1,0,1]=3
4  B5R0.2  COCCCO R0012O [1,0,0,0,0,0|1,0,2]=4
5  B5R0.2  COCCCO R0013A [1,0,0,0,0,0|1,0,2]=4
6  B5R0.2  COCCOC R0012V [1,0,0,0,0,0|3,0,0]=4
7  B5R0.3  CCC(CC)N R000SG [1,0,0,0,0,0|2,0,1]=4
8  B7R1.1  C1CCC(C1)C=O R0017D [0,0,0,1,0,0|0,0,0]=1
9  B7R1.3  CC1CCCCN1 R000XY [0,0,0,1,0,0|2,0,0]=3
10  B7R1.3  CC1CCCNC1 R00164 [0,0,0,1,0,0|1,0,1]=3
11  B7R1.3  CC1CCNCC1 R0017X [0,0,0,1,0,0|2,0,1]=4
12  B7R1.25  CC1(COC1)CO R000YW [0,0,0,1,0,0|1,0,2]=4
13  B4R0.1  CC(=O)NC R000SZ [2,0,0,0,0,0|1,0,1]=4
14  B4R0.2  C=CCCBr R0018Q [2,0,0,0,0,0|1,0,1]=4
15  B6R0.2  CC(C)NC(C)C R000U7 [1,1,0,0,0,0|1,0,1]=4
16  B6R0.6  CCCCON=O R000TD [1,1,0,0,0,0|1,0,0]=3
17  B8R0.8  CCCC[C@H](C(=O)O)N R00105 [0,2,0,0,0,0|1,0,0]=3
18  B8R1.2  C1CC(CNC1)CO R000YM [0,1,0,1,0,0|0,0,2]=4
19  B8R1.2  C1CCNC(C1)CO R000YN [0,1,0,1,0,0|0,0,2]=4
20  B8R1.2  C1CNCCC1CO R000YL [0,1,0,1,0,0|0,0,2]=4
21  B8R1.7  C1C[C@@H](NC1)C(=O)O R00104 [0,1,0,1,0,0|1,0,0]=3
22  B8R1.7  C1C[C@H](NC1)C(=O)N R000UN [0,1,0,1,0,0|1,0,0]=3