0  B7R1.3  NN1CCCCC1 T0533 [0,0,0,0,0,0|2,0,0]=2
1  B7R1.3  O=C1CCCCO1 T4821 [0,0,0,0,0,0|1,0,0]=1
2  B8R1.4  CC1CCCC(C)N1 T1007 [0,1,0,0,0,0|2,0,1]=4
3  B8R1.4  C[C@@H]1CCN=C(N)S1 T22569 [0,1,0,0,0,0|3,0,0]=4
4  B8R1.4  O=C1CCNC(=O)N1 T4886 [0,1,0,0,0,0|2,0,1]=4
5  B8R1.5  N[C@@H]1CCCC[C@H]1N T0164 [0,1,0,0,0,0|1,0,1]=3
6  B8R1.5  O[C@@H]1CCCC[C@H]1O T4763 [0,1,0,0,0,0|0,0,2]=3
7  B8R1.72  C[N+]1([O-])CCOCC1 T0636 [0,1,0,0,0,0|2,0,1]=4
8  B6R0.1  COC(=O)CCN T8097 [0,0,1,0,0,0|2,0,0]=3
9  B6R0.4  C#CCCC(=O)O T0580 [0,0,1,0,0,0|1,0,2]=4
10  B6R0.4  C#CCCC(=O)[O-] T13893 [0,0,1,0,0,0|1,0,2]=4
11  B6R0.4  CSCCC(=O)O T5285 [0,0,1,0,0,0|2,0,0]=3
12  B6R0.4  NCCCC(=O)O T0508 [0,0,1,0,0,0|2,0,0]=3
13  B6R0.6  COCCCCO T7022 [0,0,1,0,0,0|1,0,2]=4
14  B6R0.6  NCCCCCN T4895 [0,0,1,0,0,0|2,0,1]=4
15  B6R1.2  O=C1NCCN1 T0630 [0,0,0,0,1,0|2,0,0]=3
16  B5R0.1  CCCC(=O)[O-] T1393 [1,0,1,0,0,0|1,0,0]=3
17  B5R0.1  CCOC(N)=O T0051 [1,0,1,0,0,0|2,0,0]=4
18  B5R0.1  CNCC(=O)O T6975 [1,0,1,0,0,0|2,0,0]=4
19  B5R0.1  NCCC(=O)O T0627 [1,0,1,0,0,0|2,0,0]=4
20  B5R0.2  NCCCCN T22213 [1,0,1,0,0,0|2,0,0]=4
21  B7R0.2  COC(=O)CC(C)=O T4851 [0,1,1,0,0,0|1,0,1]=4
22  B7R0.3  COC(=O)CCCN T22364 [0,1,1,0,0,0|1,0,0]=3
23  B7R0.5  CCCC(=O)C(=O)O T13484 [0,1,1,0,0,0|1,0,1]=4
24  B7R0.10  COC(=O)[C@@H](N)CS T1547 [0,1,1,0,0,0|2,0,0]=4
25  B7R0.4  CCCCCC(C)N T0359 [0,1,1,0,0,0|1,0,1]=4
26  B7R0.4  NCCCCC(=O)O T5089 [0,1,1,0,0,0|1,0,0]=3
27  B7R0.6  CC(=O)CCC(=O)O T5551 [0,1,1,0,0,0|1,0,1]=4
28  B7R0.8  C[P@@](=O)(O)CCCN T23368 [0,1,1,0,0,0|2,0,0]=4
29  B7R1.4  C=C1CCOC1=O T5320 [0,1,0,0,1,0|1,0,1]=4
30  B7R1.4  NC1CCSC1=O T5968 [0,1,0,0,1,0|1,0,0]=3
31  B7R1.4  N[C@@H]1CONC1=O T1589 [0,1,0,0,1,0|2,0,0]=4
32  B7R1.4  N[C@H]1CCSC1=O T19393 [0,1,0,0,1,0|1,0,0]=3
33  B7R1.4  N[C@H]1CONC1=O T0710 [0,1,0,0,1,0|2,0,0]=4
34  B7R1.14  O=S1(=O)CCCN1 T8615 [0,1,0,0,1,0|2,0,0]=4
35  B9R1.6  O=C(O)C1=CCCNC1 T7557 [0,2,0,0,0,0|1,0,1]=4
36  B9R1.6  O=C(O)C1=CCCNC1 TN1717 [0,2,0,0,0,0|1,0,1]=4
37  B9R1.6  O=C(O)C1=CCNCC1 T11684 [0,2,0,0,0,0|1,0,1]=4
38  B9R1.6  O=C(O)C1CCCCC1 T5563 [0,2,0,0,0,0|0,0,1]=3
39  B9R1.6  O=C(O)C1CCCCN1 T4819 [0,2,0,0,0,0|1,0,1]=4
40  B9R1.6  O=C(O)C1CCNCC1 T22348 [0,2,0,0,0,0|1,0,1]=4
41  B9R1.6  O=C(O)[C@@H]1CCCCN1 T4762 [0,2,0,0,0,0|1,0,1]=4
42  B9R1.6  O=C(O)[C@@H]1CCCNC1 T22482 [0,2,0,0,0,0|1,0,1]=4
43  B9R1.6  O=C(O)[C@H]1CCCCN1 T13634 [0,2,0,0,0,0|1,0,1]=4
44  B9R1.66  CC1(O)CCOC(=O)C1 T1353 [0,2,0,0,0,0|1,0,0]=3
45  B7R1.18  O=C(O)C1CCN1 T8100 [0,0,1,1,0,0|2,0,0]=4