0  B7R1.3  CC1=NC=CC=C1 T21323 [0,0,0,0,0,0|2,0,2]=4
1  B7R1.3  NN1CCCCC1 T0533 [0,0,0,0,0,0|2,0,2]=4
2  B7R1.3  O=C1CCCCO1 T4821 [0,0,0,0,0,0|1,0,1]=2
3  B6R1.1  c1cncnc1 T4809 [1,0,0,0,0,0|2,0,1]=4
4  B8R1.2  O=CC1=CC=CC=C1 TWO2659 [0,1,0,0,0,0|0,0,3]=4
5  B8R1.4  O=C1CCNC(=O)N1 T4886 [0,1,0,0,0,0|2,0,0]=3
6  B8R1.5  O=c1ccocc1O TL0015 [0,1,0,0,0,0|1,0,2]=4
7  B6R0.1  COC(=O)CCN T8097 [0,0,1,0,0,0|2,0,1]=4
8  B6R0.4  C#CCCC(=O)O T0580 [0,0,1,0,0,0|1,0,2]=4
9  B6R0.4  C#CCCC(=O)[O-] T13893 [0,0,1,0,0,0|1,0,2]=4
10  B6R0.4  CSCCC(=O)O T5285 [0,0,1,0,0,0|2,0,1]=4
11  B6R0.4  NCCCC(=O)O T0508 [0,0,1,0,0,0|2,0,0]=3
12  B6R0.4  NC\C=C\C(=O)O T23414 [0,0,1,0,0,0|2,0,0]=3
13  B6R0.4  O=C(O)\C=C\CO T23473 [0,0,1,0,0,0|2,0,0]=3
14  B6R0.6  CC\C=C/CCO T22295 [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  CC(C)=CCO T4747 [1,0,1,0,0,0|2,0,0]=4
17  B5R0.1  CCCC(=O)[O-] T1393 [1,0,1,0,0,0|1,0,0]=3
18  B5R0.1  CCOC(N)=O T0051 [1,0,1,0,0,0|2,0,0]=4
19  B5R0.1  CNCC(=O)O T6975 [1,0,1,0,0,0|2,0,0]=4
20  B5R0.1  C\C=C\C(=O)O T5301 [1,0,1,0,0,0|1,0,0]=3
21  B5R0.1  NCCC(=O)O T0627 [1,0,1,0,0,0|2,0,0]=4
22  B7R0.2  COC(=O)CC(C)=O T4851 [0,1,1,0,0,0|1,0,1]=4
23  B7R0.3  COC(=O)CCCN T22364 [0,1,1,0,0,0|1,0,1]=4
24  B7R0.5  CCCC(=O)C(=O)O T13484 [0,1,1,0,0,0|1,0,0]=3
25  B7R0.4  C\C=C\C=C\C(=O)O T8019 [0,1,1,0,0,0|1,0,1]=4
26  B7R0.4  C\C=C\C=C\C(=O)[O-] T4807 [0,1,1,0,0,0|1,0,1]=4
27  B7R0.4  NCCCCC(=O)O T5089 [0,1,1,0,0,0|1,0,1]=4
28  B7R0.1  C=CCSSCC=C TN1576 [0,1,1,0,0,0|2,0,0]=4
29  B7R1.2  O=C1C=CC(=O)N1 T4820 [0,1,0,0,1,0|1,0,1]=4
30  B7R1.4  C=C1CCOC1=O T5320 [0,1,0,0,1,0|1,0,0]=3
31  B7R1.4  NC1CCSC1=O T5968 [0,1,0,0,1,0|1,0,0]=3
32  B7R1.4  N[C@@H]1CONC1=O T1589 [0,1,0,0,1,0|2,0,0]=4
33  B7R1.4  N[C@H]1CCSC1=O T19393 [0,1,0,0,1,0|1,0,0]=3
34  B7R1.4  N[C@H]1CONC1=O T0710 [0,1,0,0,1,0|2,0,0]=4
35  B7R1.14  O=S1(=O)CCCN1 T8615 [0,1,0,0,1,0|2,0,0]=4
36  B9R1.6  O=C(O)C1=CCCNC1 T7557 [0,2,0,0,0,0|1,0,1]=4
37  B9R1.6  O=C(O)C1=CCCNC1 TN1717 [0,2,0,0,0,0|1,0,1]=4
38  B9R1.6  O=C(O)C1=CCNCC1 T11684 [0,2,0,0,0,0|1,0,1]=4
39  B9R1.69  CC1CNC(=O)NC1=O T0532 [0,2,0,0,0,0|2,0,0]=4
40  B9R1.66  CC1(O)CCOC(=O)C1 T1353 [0,2,0,0,0,0|1,0,1]=4
41  B7R1.18  O=C(O)C1CCN1 T8100 [0,0,1,1,0,0|2,0,0]=4
42  B5R1.1  C1=CON=C1 T7500 [1,0,0,0,1,0|2,0,0]=4
43  B5R1.1  C1=C[CH-]C=C1 T20786 [1,0,0,0,1,0|0,0,2]=4