0  B5R1.1  C1CCOC1 R0019I [1,0,0,0,0,0|0,1,1]=3
1  B7R1.1  C1CCC(C1)C=O R0017D [0,1,0,0,0,0|1,0,1]=3
2  B5R0.2  CCCCC#C R0019A [0,0,1,0,0,0|2,0,1]=4
3  B5R0.2  COCCCO R0012O [0,0,1,0,0,0|0,1,2]=4
4  B5R0.2  COCCCO R0013A [0,0,1,0,0,0|0,1,2]=4
5  B5R0.2  COCCOC R0012V [0,0,1,0,0,0|2,1,0]=4
6  B5R0.3  CCC(CC)N R000SG [0,0,1,0,0,0|2,0,1]=4
7  B7R1.3  C1CNCCC1O R000YK [0,0,0,0,0,1|1,0,2]=4
8  B7R1.3  C=C1CCNCC1 R000V4 [0,0,0,0,0,1|2,0,0]=3
9  B7R1.3  CC1CCCCN1 R000XY [0,0,0,0,0,1|2,0,1]=4
10  B7R1.3  CC1CCCNC1 R00164 [0,0,0,0,0,1|2,0,1]=4
11  B7R1.3  CC1CCNCC1 R0017X [0,0,0,0,0,1|2,0,1]=4
12  B4R0.1  CC(=O)NC R000SZ [1,0,1,0,0,0|1,0,0]=3
13  B4R0.2  C=CCCBr R0018Q [1,0,1,0,0,0|1,0,1]=4
14  B6R0.1  CC#CC(=O)OC R0015G [0,1,1,0,0,0|1,0,1]=4
15  B6R0.3  CC(C(=O)O)NC R000ZY [0,1,1,0,0,0|2,0,0]=4
16  B6R0.3  C[C@@H](C(=O)O)NC R00100 [0,1,1,0,0,0|2,0,0]=4
17  B6R0.3  C[C@H](C(=O)O)NC R000ZZ [0,1,1,0,0,0|2,0,0]=4
18  B6R0.6  CCCCON=O R000TD [0,1,1,0,0,0|2,0,0]=4
19  B8R1.3  C1CC(=O)CCC1N R0013L [0,1,0,0,0,1|1,0,0]=3
20  B8R1.3  CN1CCC(=O)CC1 R000XU [0,1,0,0,0,1|1,0,0]=3
21  B8R1.72  C1CCS(=O)(=O)OC1 R0010M [0,1,0,0,0,1|2,0,0]=4
22  B8R1.22  C1CCCC(=O)CC1 R000SI [0,0,0,0,0,2|1,0,0]=3