0  B6R0.1  CC#CC(=O)OC R0015G [0,0,0,0,0,0|0,0,2]=2
1  B6R0.1  CC(COC)OC R00135 [0,0,0,0,0,0|2,0,1]=3
2  B5R0.2  CCCCC#C R0019A [1,0,0,0,0,0|1,0,2]=4
3  B5R0.2  COCCCO R0012O [1,0,0,0,0,0|1,0,1]=3
4  B5R0.2  COCCCO R0013A [1,0,0,0,0,0|1,0,1]=3
5  B5R0.2  COCCOC R0012V [1,0,0,0,0,0|1,0,1]=3
6  B5R0.3  CCC(CC)N R000SG [1,0,0,0,0,0|2,0,1]=4
7  B7R0.2  COC(=O)CC(=O)O R000TK [0,1,0,0,0,0|1,0,1]=3
8  B7R0.2  COC(=O)CC(=O)O R000WK [0,1,0,0,0,0|1,0,1]=3
9  B7R0.3  CCC#CC(=O)OC R0015I [0,1,0,0,0,0|0,0,1]=2
10  B7R0.3  COC(=O)CCC=O R0013M [0,1,0,0,0,0|0,0,1]=2
11  B7R0.7  CCOC(=O)C#CC R0018N [0,1,0,0,0,0|0,0,2]=3
12  B7R0.7  CCOC(=O)CNC R000U2 [0,1,0,0,0,0|1,0,0]=2
13  B7R1.3  C=C1CCNCC1 R000V4 [0,0,0,1,0,0|3,0,0]=4
14  B7R1.3  CC1CCCCN1 R000XY [0,0,0,1,0,0|2,0,1]=4
15  B4R0.1  CC(=O)NC R000SZ [2,0,0,0,0,0|1,0,0]=3
16  B4R0.2  C=CCCBr R0018Q [2,0,0,0,0,0|1,0,1]=4
17  B6R0.3  CC(C(=O)O)NC R000ZY [1,1,0,0,0,0|1,0,0]=3
18  B6R0.3  CCN(C)C(=O)Cl R000ZP [1,1,0,0,0,0|2,0,0]=4
19  B6R0.3  C[C@@H](C(=O)O)NC R00100 [1,1,0,0,0,0|1,0,0]=3
20  B6R0.3  C[C@H](C(=O)O)NC R000ZZ [1,1,0,0,0,0|1,0,0]=3
21  B6R0.6  CCCCON=O R000TD [1,1,0,0,0,0|1,0,1]=4
22  B8R0.2  CC(C)[C@@H](C(=O)OC)N R00103 [0,2,0,0,0,0|0,0,0]=2
23  B8R0.5  CCOC(=O)CC(=O)O R000TM [0,2,0,0,0,0|1,0,1]=4
24  B8R0.9  COC(=O)CCC(=O)O R000ZG [0,2,0,0,0,0|0,0,1]=3
25  B8R0.14  CCOC(=O)C(C)(C)C R0018G [0,2,0,0,0,0|2,0,0]=4
26  B8R0.14  CCOC(=O)C(C)(F)F R0015R [0,2,0,0,0,0|2,0,0]=4
27  B8R0.13  CCC(C)(C)C(=O)OC R0010O [0,2,0,0,0,0|0,0,0]=2
28  B6R1.11  B(C1CC1)(O)O R00110 [1,0,0,1,0,0|1,0,1]=4
29  B6R1.1  C1COCCO1 R0018F [1,0,0,1,0,0|1,0,1]=4
30  B8R1.3  C1CC(=O)CCC1N R0013L [0,1,0,1,0,0|1,0,0]=3
31  B8R1.3  CN1CCC(=O)CC1 R000XU [0,1,0,1,0,0|1,0,0]=3
32  B8R1.22  C1CCCC(=O)CC1 R000SI [0,1,0,1,0,0|1,0,0]=3
33  B8R1.72  C1CCS(=O)(=O)OC1 R0010M [0,1,0,1,0,0|1,0,0]=3