0  B4R0.1  CC(=O)NC R000SZ [1,0,0,0,0,0|1,0,0]=2
1  B6R0.1  CC#CC(=O)OC R0015G [0,1,0,0,0,0|0,0,2]=3
2  B6R0.3  CC(C(=O)O)NC R000ZY [0,1,0,0,0,0|2,0,1]=4
3  B6R0.3  CC(C(=O)OC)Cl R000T8 [0,1,0,0,0,0|2,0,1]=4
4  B6R0.3  CCN(C)C(=O)Cl R000ZP [0,1,0,0,0,0|2,0,1]=4
5  B6R0.3  C[C@@H](C(=O)O)NC R00100 [0,1,0,0,0,0|2,0,1]=4
6  B6R0.3  C[C@H](C(=O)O)NC R000ZZ [0,1,0,0,0,0|2,0,1]=4
7  B3R0.2  CN(C)C R001AQ [2,0,0,0,0,0|2,0,0]=4
8  B3R0.2  CS(=O)C R0019F [2,0,0,0,0,0|1,0,0]=3
9  B3R0.2  CS(=O)[O-] R000ZR [2,0,0,0,0,0|2,0,0]=4
10  B5R0.4  CCS(=O)(=O)C R000V3 [1,1,0,0,0,0|1,0,1]=4
11  B5R0.4  CS(=O)(=O)C=C R000V2 [1,1,0,0,0,0|1,0,0]=3
12  B5R0.4  C[Si](C)(C)C=C R0017S [1,1,0,0,0,0|1,1,0]=4
13  B5R0.5  CC(C(=O)Cl)Cl R0014V [1,1,0,0,0,0|1,0,1]=4
14  B7R0.2  COC(=O)CC(=O)O R000TK [0,2,0,0,0,0|1,0,1]=4
15  B7R0.2  COC(=O)CC(=O)O R000WK [0,2,0,0,0,0|1,0,1]=4
16  B7R0.3  CCC#CC(=O)OC R0015I [0,2,0,0,0,0|0,0,2]=4
17  B7R0.3  COC(=O)CCC=O R0013M [0,2,0,0,0,0|1,0,1]=4
18  B7R0.7  CCOC(=O)C#CC R0018N [0,2,0,0,0,0|0,0,2]=4
19  B7R0.7  CCOC(=O)CNC R000U2 [0,2,0,0,0,0|1,0,1]=4
20  B7R1.2  CN1C=CC(=N1)I R0012Q [0,1,0,1,0,0|2,0,0]=4
21  B7R1.3  C1=CNC=CC1=O R00185 [0,1,0,1,0,0|0,0,2]=4
22  B7R1.3  CC1=CC=CC=N1 R000XX [0,1,0,1,0,0|1,0,1]=4
23  B7R1.3  CC1=CC=NC=C1 R00184 [0,1,0,1,0,0|1,0,1]=4
24  B7R1.3  CC1=CN=CC=C1 R0016F [0,1,0,1,0,0|1,0,1]=4