0  B6R1.2  CC1=NCCN1 T21052 [0,0,0,0,0,0|2,0,1]=3
1  B6R1.2  CN1CCCC1 T8029 [0,0,0,0,0,0|3,0,0]=3
2  B6R1.2  N=C1CCCS1 T19958 [0,0,0,0,0,0|2,0,1]=3
3  B6R1.2  O=C1NCCN1 T0630 [0,0,0,0,0,0|3,0,1]=4
4  B6R1.2  S=C1NCCN1 T20110 [0,0,0,0,0,0|3,0,1]=4
5  B5R1.1  C1CC=CO1 T0654 [1,0,0,0,0,0|1,1,1]=4
6  B7R1.4  CC1OCCC1=O T8050 [0,1,0,0,0,0|1,1,0]=3
7  B7R1.4  CN1CCCC1=O T5851 [0,1,0,0,0,0|3,0,0]=4
8  B7R1.4  NC1CCSC1=O T5968 [0,1,0,0,0,0|2,0,1]=4
9  B7R1.4  N[C@H]1CCSC1=O T19393 [0,1,0,0,0,0|2,0,1]=4
10  B5R0.1  CCSC(N)=N T22761 [0,0,1,0,0,0|2,0,1]=4
11  B5R0.1  C[C@@H](CCO)O T9257 [0,0,1,0,0,0|2,1,0]=4
12  B5R0.1  C[C@@H](O)CCO T19538 [0,0,1,0,0,0|2,1,0]=4
13  B5R0.2  CCCSSC T39668 [0,0,1,0,0,0|2,0,0]=3
14  B5R0.2  NCCCCN T22213 [0,0,1,0,0,0|3,0,0]=4
15  B5R0.3  CCC(C)C=O T5090 [0,0,1,0,0,0|3,0,0]=4
16  B7R1.3  CC1CCOCO1 T21291 [0,0,0,0,0,1|1,1,0]=3
17  B4R0.1  CC(N)CO T27792 [1,0,1,0,0,0|2,0,0]=4
18  B4R0.1  C[C@H](O)CO T12810 [1,0,1,0,0,0|1,1,0]=4
19  B4R0.2  CCNCC T31448 [1,0,1,0,0,0|1,0,0]=3
20  B4R0.2  CCNCC T9038 [1,0,1,0,0,0|1,0,0]=3
21  B4R0.2  CNCCO TN2779 [1,0,1,0,0,0|1,1,0]=4
22  B4R0.2  CSCC=C T5579 [1,0,1,0,0,0|1,0,1]=4
23  B4R0.2  CSSSC T8034 [1,0,1,0,0,0|1,0,0]=3
24  B4R0.2  OCCCO T40585 [1,0,1,0,0,0|1,1,0]=4
25  B6R0.6  CC/C=C\CCO T22295 [0,1,1,0,0,0|1,1,0]=4
26  B6R0.6  CCCCCCO TN6891 [0,1,1,0,0,0|1,1,0]=4
27  B6R0.6  ClCCNCCCl T0565 [0,1,1,0,0,0|2,0,0]=4
28  B6R0.6  NCCCCCN T4895 [0,1,1,0,0,0|2,0,0]=4
29  B6R0.6  NCCOCCN T14009 [0,1,1,0,0,0|1,1,0]=4
30  B6R0.6  OCCOCCBr T14787 [0,1,1,0,0,0|0,2,0]=4
31  B6R0.6  OCCOCCO T21019 [0,1,1,0,0,0|0,2,0]=4
32  B8R1.4  CC1CCCC(C)N1 T1007 [0,1,0,0,0,1|2,0,0]=4
33  B8R1.4  CC1CCOC(C)O1 T21290 [0,1,0,0,0,1|0,2,0]=4
34  B8R1.4  C[C@@H]1CCN=C(N)S1 T22569 [0,1,0,0,0,1|1,0,1]=4
35  B8R1.5  CC1CCCCC1=O T36789 [0,1,0,0,0,1|2,0,0]=4
36  B8R1.1  OC[C@H]1CC[C@H](O)C1 TN2950 [0,2,0,0,0,0|2,0,0]=4
37  B6R1.1  C1CSCSC1 T19081 [0,0,1,1,0,0|2,0,0]=4
38  B4R1.2  CC1OC1 T19524 [0,0,0,0,2,0|0,1,0]=3