0  B5R0.2  CSCSSC NPA000854 [0,0,0,0,0,0|4,0,0]=4
1  B6R0.1  CCCC(=O)CC NPA012016 [0,1,0,0,0,0|1,0,2]=4
2  B6R0.4  C#CNCC(=O)O NPA021067 [0,1,0,0,0,0|1,0,2]=4
3  B6R0.4  C(CN[N+](=O)[O-])N NPA015866 [0,1,0,0,0,0|3,0,0]=4
4  B6R0.4  CC(=O)CCSC NPA010578 [0,1,0,0,0,0|1,0,0]=2
5  B6R0.4  CC(C)CNC=O NPA028553 [0,1,0,0,0,0|1,0,0]=2
6  B6R0.4  CS/C=C/C(=O)O NPA005711 [0,1,0,0,0,0|1,0,2]=4
7  B6R0.4  C[C@H](CCSC)O NPA014443 [0,1,0,0,0,0|2,0,0]=3
8  B6R1.1  C1CSCCS1 NPA010361 [0,0,0,1,0,0|1,1,1]=4
9  B6R1.8  C1C(C1=O)CO NPA020911 [0,0,0,1,0,0|1,0,0]=2
10  B5R0.1  C(CO)C(=O)O NPA014979 [1,1,0,0,0,0|1,0,0]=3
11  B5R0.1  C=C(C)CCO NPA031414 [1,1,0,0,0,0|0,0,2]=4
12  B7R0.3  CCC(C)CCCO NPA009905 [0,2,0,0,0,0|0,0,2]=4
13  B7R0.3  CCCCC(C)C=C NPA006261 [0,2,0,0,0,0|1,0,0]=3
14  B7R0.5  C#CC[C@@H](C(=O)O)N NPA021207 [0,2,0,0,0,0|0,0,2]=4
15  B7R0.5  CNC[C@H](N)C(=O)O NPA027398 [0,2,0,0,0,0|1,0,0]=3
16  B7R0.4  CC(C)CCNC=O NPA028555 [0,2,0,0,0,0|0,0,0]=2
17  B7R0.4  NCCNCC(=O)O NPA027411 [0,2,0,0,0,0|1,0,0]=3
18  B7R0.6  C(C[N+](=O)[O-])C(=O)O NPA007876 [0,2,0,0,0,0|2,0,0]=4
19  B7R0.6  CC(=O)NCC(C)C NPA028554 [0,2,0,0,0,0|1,0,0]=3
20  B7R0.6  CC(C)CNS(=O)C NPA028557 [0,2,0,0,0,0|2,0,0]=4
21  B7R0.6  CC(C)COC(=O)C NPA006632 [0,2,0,0,0,0|1,0,0]=3
22  B7R1.4  C1[C@H](C(=O)NO1)N NPA001237 [0,1,0,1,0,0|2,0,0]=4
23  B7R1.4  CC1=NCNC1=O NPA003654 [0,1,0,1,0,0|1,0,1]=4
24  B7R1.12  CC1=NC1C(=O)O NPA021211 [0,1,0,1,0,0|1,0,1]=4