0  B7R0.9  CC(=O)CC(C)(C)O PHBB_NC-02018 [0,0,0,0,0,0|3,0,0]=3
1  B6R0.2  CC(=O)C=C(C)C PHBB_NC-02001 [1,0,0,0,0,0|2,0,1]=4
2  B6R0.2  CC(C)=CC(=O)Cl PHBB_SC-08458 [1,0,0,0,0,0|2,0,1]=4
3  B6R0.2  CC(C)CC(=O)Cl PHBB_SC-08426 [1,0,0,0,0,0|2,0,0]=3
4  B6R0.2  CC(C)CC(=O)O PHBB_NC-02034 [1,0,0,0,0,0|1,0,1]=3
5  B6R0.2  CC(O)CC(=O)O PHBB_NC-02996 [1,0,0,0,0,0|2,0,1]=4
6  B6R0.2  CN(C)CC(=O)O PHBB_SC-04767 [1,0,0,0,0,0|0,0,2]=3
7  B6R0.2  CN(C)CC(N)=S PHBB_SC-01458 [1,0,0,0,0,0|1,1,1]=4
8  B6R0.5  C[N+](C)(C)CCO PHBB_NC-02013 [1,0,0,0,0,0|0,0,2]=3
9  B8R0.24  CC(C)(C)OC(=O)NN PHBB_SC-05109 [0,1,0,0,0,0|3,0,0]=4
10  B8R0.27  [C@H](N)(C(=O)O)C(C)(C)S PHBB_NC-01723 [0,1,0,0,0,0|2,0,1]=4
11  B8R0.27  [C@H](N)(C(=O)O)C(C)(C)S PHBB_NC-03442 [0,1,0,0,0,0|2,0,1]=4
12  B6R0.7  CC(C)(C)C(=O)Cl PHBB_SC-04833 [0,0,0,0,1,0|2,0,0]=3
13  B6R0.7  CC(C)(N)C(=O)O PHBB_SC-08466 [0,0,0,0,1,0|2,0,1]=4
14  B5R0.1  CC(C)CC=O PHBB_NC-03017 [2,0,0,0,0,0|1,0,0]=3
15  B5R0.1  CCCC(=O)Cl PHBB_SC-04929 [2,0,0,0,0,0|2,0,0]=4
16  B5R0.1  CCC[N+](=O)[O-] PHBB_SC-04987 [2,0,0,0,0,0|2,0,0]=4
17  B5R0.1  CNCC(=O)O PHBB_NC-02026 [2,0,0,0,0,0|0,0,2]=4
18  B5R0.1  CNCC(N)=O PHBB_NC-02184 [2,0,0,0,0,0|1,0,1]=4
19  B5R0.1  COCC(=O)Cl PHBB_SC-11015 [2,0,0,0,0,0|2,0,0]=4
20  B7R0.2  COC(=O)CC(C)C PHBB_SC-04883 [1,1,0,0,0,0|1,0,1]=4
21  B7R0.16  CC(C)C(Br)C(=O)O PHBB_SC-00103 [1,1,0,0,0,0|1,0,1]=4
22  B9R1.66  CC1(C)CC(=O)CCO1 PHBB_NC-00502 [0,1,0,1,0,0|2,0,0]=4
23  B9R1.138  CC1(C)COC(=O)C1O PHBB_NC-00269 [0,1,0,1,0,0|1,0,1]=4
24  B5R0.5  CC(C)C(=O)Cl PHBB_SC-11808 [1,0,0,0,1,0|2,0,0]=4
25  B5R0.5  CC(C)C(=O)O PHBB_SC-04925 [1,0,0,0,1,0|1,0,1]=4
26  B5R0.5  CC(C)[N+](=O)[O-] PHBB_SC-05100 [1,0,0,0,1,0|2,0,0]=4
27  B5R0.5  CN(C)C(=O)Cl PHBB_SC-11014 [1,0,0,0,1,0|1,0,1]=4
28  B7R0.6  CC(C)COC(=O)Cl PHBB_SC-04950 [1,0,0,0,0,1|2,0,0]=4
29  B7R0.6  CC(C)OCC(=O)O PHBB_SC-03839 [1,0,0,0,0,1|1,0,1]=4