0  B6R1.2  O=C1NCCN1 T0630 [0,1,0,0,0,0|1,0,1]=3
1  B4R0.2  CSSSC T8034 [0,0,1,0,0,0|3,0,0]=4
2  B3R0.1  NCCO T22327 [1,0,1,0,0,0|1,0,0]=3
3  B3R0.1  NCCS T1080 [1,0,1,0,0,0|1,0,0]=3
4  B3R0.1  NCCS T6460 [1,0,1,0,0,0|1,0,0]=3
5  B5R0.1  CCCC(=O)[O-] T1393 [0,1,1,0,0,0|1,0,1]=4
6  B5R0.1  CCOC(N)=O T0051 [0,1,1,0,0,0|1,0,1]=4
7  B5R0.1  CCSC(=N)N T22761 [0,1,1,0,0,0|1,0,1]=4
8  B5R0.1  CNCC(=O)O T6975 [0,1,1,0,0,0|1,0,1]=4
9  B5R0.1  C[C@@H](O)CCO T19538 [0,1,1,0,0,0|1,0,0]=3
10  B5R0.1  NCCC(=O)O T0627 [0,1,1,0,0,0|1,0,1]=4
11  B5R0.1  NCCS(=O)O T5225 [0,1,1,0,0,0|2,0,0]=4
12  B5R0.2  NCCCCN T22213 [0,1,1,0,0,0|0,0,0]=2
13  B5R0.3  CCC(C)C=O T5090 [0,1,1,0,0,0|1,0,1]=4
14  B5R0.3  OCC(O)CO T4776 [0,1,1,0,0,0|2,0,0]=4
15  B5R0.3  OCC(S)CS T0781 [0,1,1,0,0,0|2,0,0]=4
16  B7R1.3  NN1CCCCC1 T0533 [0,1,0,0,0,1|0,0,0]=2
17  B7R1.3  O=C1CCCCO1 T4821 [0,1,0,0,0,1|1,0,0]=3
18  B7R1.4  NC1CCSC1=O T5968 [0,2,0,0,0,0|1,0,1]=4
19  B7R1.4  N[C@@H]1CONC1=O T1589 [0,2,0,0,0,0|1,0,1]=4
20  B7R1.4  N[C@H]1CCSC1=O T19393 [0,2,0,0,0,0|1,0,1]=4
21  B7R1.4  N[C@H]1CONC1=O T0710 [0,2,0,0,0,0|1,0,1]=4
22  B7R1.14  O=S1(=O)CCCN1 T8615 [0,2,0,0,0,0|1,0,0]=3
23  B5R1.3  ClCC1CO1 T6344 [0,0,1,1,0,0|2,0,0]=4
24  B5R1.3  ClCC1CO1 T6666 [0,0,1,1,0,0|2,0,0]=4
25  B5R1.3  N#CC1CC1 T0536 [0,0,1,1,0,0|0,0,2]=4