0  B4R1.2  CC1OC1 T19524 [0,0,0,0,0,0|0,0,0]=0
1  B3R1.1  [Cl-]1[Cl-][Sr+2]1 T23401 [1,0,0,0,0,0|3,0,0]=4
2  B5R1.3  ClCC1CO1 T6344 [0,1,0,0,0,0|0,0,0]=1
3  B5R1.3  ClCC1CO1 T6666 [0,1,0,0,0,0|0,0,0]=1
4  B5R1.3  N#CC1CC1 T0536 [0,1,0,0,0,0|1,0,1]=3
5  B3R0.1  NCCO T22327 [0,0,1,0,0,0|1,0,0]=2
6  B3R0.1  NCCS T1080 [0,0,1,0,0,0|1,1,0]=3
7  B3R0.1  NCCS T6460 [0,0,1,0,0,0|1,1,0]=3
8  B3R0.2  CC(N)=S T35367 [0,0,1,0,0,0|1,1,1]=4
9  B3R0.2  CC([O-])=O T23377 [0,0,1,0,0,0|1,0,2]=4
10  B3R0.2  CC([O-])=O T35375 [0,0,1,0,0,0|1,0,2]=4
11  B3R0.2  CC([O-])=O T8129 [0,0,1,0,0,0|1,0,2]=4
12  B3R0.2  CC([O-])C T19372 [0,0,1,0,0,0|0,0,1]=2
13  B3R0.2  CC([S-])=O T22402 [0,0,1,0,0,0|1,0,2]=4
14  B3R0.2  CN(C)C T4827 [0,0,1,0,0,0|2,0,0]=3
15  B3R0.2  O[Al](O)O T13545 [0,0,1,0,0,0|3,0,0]=4
16  B2R0.1  CNC T5309 [1,0,1,0,0,0|1,0,0]=3
17  B2R0.1  CON T21320 [1,0,1,0,0,0|1,0,0]=3
18  B4R0.1  CC(=O)NO T1592 [0,1,1,0,0,0|1,0,1]=4
19  B4R0.1  CC(N)C=O T29820 [0,1,1,0,0,0|0,0,2]=4
20  B4R0.1  CC(N)CO T27792 [0,1,1,0,0,0|0,0,0]=2
21  B4R0.1  COC(C)=N T24458 [0,1,1,0,0,0|0,0,1]=3
22  B4R0.1  COC(N)=O T2151 [0,1,1,0,0,0|1,0,1]=4
23  B4R0.1  C[C@H](O)CO T12810 [0,1,1,0,0,0|0,0,0]=2
24  B4R0.1  NCC(O)=O T2O2728 [0,1,1,0,0,0|1,0,1]=4
25  B4R0.1  OCC(O)=O T5985 [0,1,1,0,0,0|1,0,1]=4
26  B4R0.2  CCNCC T31448 [0,1,1,0,0,0|1,0,0]=3
27  B4R0.2  CCNCC T9038 [0,1,1,0,0,0|1,0,0]=3
28  B4R0.2  CNCCO TN2779 [0,1,1,0,0,0|0,0,0]=2
29  B4R0.2  CSCC=C T5579 [0,1,1,0,0,0|0,1,1]=4
30  B4R0.2  CSSSC T8034 [0,1,1,0,0,0|1,1,0]=4
31  B4R0.2  NCCC#N T13475 [0,1,1,0,0,0|1,0,1]=4
32  B4R0.2  OCCCO T40585 [0,1,1,0,0,0|0,0,0]=2
33  B4R0.3  CS(C)(=O)=O TN6752 [0,1,1,0,0,0|1,0,1]=4
34  B4R0.3  C[As](O)(O)=O T33347 [0,1,1,0,0,0|2,0,0]=4
35  B4R0.3  C[As](O)([O-])=O T19915 [0,1,1,0,0,0|2,0,0]=4
36  B4R0.3  C[N+](C)(C)[O-] T5247 [0,1,1,0,0,0|1,0,1]=4
37  B6R1.11  NC(=O)C1CO1 T31954 [0,2,0,0,0,0|0,0,1]=3
38  B6R1.2  CC1=NCCN1 T21052 [0,0,0,0,0,2|1,0,1]=4
39  B6R1.2  CN1CCCC1 T8029 [0,0,0,0,0,2|2,0,0]=4