0  B4R0.2  CSSSC T8034 [0,0,0,0,0,0|1,0,0]=1
1  B3R0.1  NCCO T22327 [1,0,0,0,0,0|2,1,0]=4
2  B3R0.1  NCCS T1080 [1,0,0,0,0,0|2,0,0]=3
3  B3R0.1  NCCS T6460 [1,0,0,0,0,0|2,0,0]=3
4  B5R0.1  CCCC(=O)[O-] T1393 [0,1,0,0,0,0|3,0,0]=4
5  B5R0.1  CNCC(=O)O T6975 [0,1,0,0,0,0|3,0,0]=4
6  B5R0.1  C[C@@H](O)CCO T19538 [0,1,0,0,0,0|3,0,0]=4
7  B5R0.2  NCCCCN T22213 [0,1,0,0,0,0|3,0,0]=4
8  B5R0.3  CCC(C)C=O T5090 [0,1,0,0,0,0|3,0,0]=4
9  B5R1.3  ClCC1CO1 T6344 [0,0,0,1,0,0|2,1,0]=4
10  B5R1.3  ClCC1CO1 T6666 [0,0,0,1,0,0|2,1,0]=4
11  B5R1.3  N#CC1CC1 T0536 [0,0,0,1,0,0|3,0,0]=4
12  B2R0.1  CNC T5309 [2,0,0,0,0,0|1,0,0]=3
13  B2R0.1  CON T21320 [2,0,0,0,0,0|1,1,0]=4
14  B4R0.1  CC(O)CO T5619 [1,1,0,0,0,0|1,1,0]=4
15  B4R0.1  CSC(=N)N T22419 [1,1,0,0,0,0|1,0,1]=4
16  B4R0.1  C\N=[N+](\C)[O-] T13565 [1,1,0,0,0,0|2,0,0]=4
17  B4R0.1  O=C([O-])CS T8530 [1,1,0,0,0,0|2,0,0]=4
18  B6R0.4  CSCCC(=O)O T5285 [0,2,0,0,0,0|1,0,1]=4
19  B6R0.6  COCCCCO T7022 [0,2,0,0,0,0|1,1,0]=4
20  B6R0.6  NCCCCCN T4895 [0,2,0,0,0,0|2,0,0]=4