0  B3R0.1  NCCO T22327 [0,0,0,0,0,0|4,0,0]=4
1  B3R0.1  NCCS T1080 [0,0,0,0,0,0|4,0,0]=4
2  B3R0.1  NCCS T6460 [0,0,0,0,0,0|4,0,0]=4
3  B2R0.1  CNC T5309 [1,0,0,0,0,0|1,0,0]=2
4  B2R0.1  CON T21320 [1,0,0,0,0,0|1,1,0]=3
5  B2R0.1  Cl[Pt]Cl T1564 [1,0,0,0,0,0|3,0,0]=4
6  B2R0.1  N#C[S-] T8033 [1,0,0,0,0,0|2,0,1]=4
7  B2R0.1  NC=O T4767 [1,0,0,0,0,0|2,1,0]=4
8  B2R0.1  O=C[O-] T5300 [1,0,0,0,0,0|2,1,0]=4
9  B2R0.1  O=[Si]=O T0422 [1,0,0,0,0,0|2,1,0]=4
10  B4R0.1  CC(=O)C=O T19536 [0,1,0,0,0,0|3,0,0]=4
11  B4R0.1  CC(=O)NO T1592 [0,1,0,0,0,0|3,0,0]=4
12  B4R0.1  CC(O)CO T5619 [0,1,0,0,0,0|3,0,0]=4
13  B4R0.1  CNC(=N)N T21215 [0,1,0,0,0,0|3,0,0]=4
14  B4R0.1  CNC(=N)N T4904 [0,1,0,0,0,0|3,0,0]=4
15  B4R0.1  COC(N)=O T2151 [0,1,0,0,0,0|2,1,0]=4
16  B4R0.1  CSC(=N)N T22419 [0,1,0,0,0,0|2,0,0]=3
17  B4R0.1  C\N=[N+](\C)[O-] T13565 [0,1,0,0,0,0|2,0,0]=3
18  B4R0.2  CSSSC T8034 [0,1,0,0,0,0|0,0,0]=1
19  B1R0.1  CN T5307 [2,0,0,0,0,0|1,0,0]=3
20  B1R0.1  NO T11587 [2,0,0,0,0,0|1,1,0]=4
21  B3R0.2  CC(=O)[O-] T8129 [1,1,0,0,0,0|1,1,0]=4
22  B3R0.2  CC(=O)[S-] T22402 [1,1,0,0,0,0|1,0,1]=4
23  B3R0.2  CC(N)=O T7445 [1,1,0,0,0,0|1,1,0]=4
24  B3R0.2  CN(C)C T4827 [1,1,0,0,0,0|1,0,0]=3
25  B3R0.2  CS(C)=O T0341 [1,1,0,0,0,0|0,0,1]=3
26  B5R0.1  CC(C)=CCO T4747 [0,2,0,0,0,0|2,0,0]=4
27  B5R0.1  CCSC(=N)N T22761 [0,2,0,0,0,0|1,0,1]=4
28  B5R0.1  C[C@@H](O)CCO T19538 [0,2,0,0,0,0|2,0,0]=4
29  B5R0.3  CCC(C)C=O T5090 [0,2,0,0,0,0|2,0,0]=4
30  B5R0.5  C[C@@H](O)[C@@H](C)O T4751 [0,2,0,0,0,0|2,0,0]=4
31  B5R0.2  NCCCCN T22213 [0,2,0,0,0,0|2,0,0]=4
32  B5R1.3  ClCC1CO1 T6344 [0,1,0,1,0,0|1,1,0]=4
33  B5R1.3  ClCC1CO1 T6666 [0,1,0,1,0,0|1,1,0]=4