0  B9R1.69  Brc1c[nH]c(=O)[nH]c1=O T8060 [0,0,0,0,0,0|1,1,1]=3
1  B9R1.69  Cc1c[nH]c(=O)[nH]c1=O TWO2759 [0,0,0,0,0,0|2,0,1]=3
2  B9R1.69  Cc1c[nH]c(=O)nc1N T5270 [0,0,0,0,0,0|1,0,2]=3
3  B9R1.69  Cc1ccc(N)c(N)c1 T7988 [0,0,0,0,0,0|4,0,0]=4
4  B9R1.69  Cc1ccc(O)c(N)c1 T9441 [0,0,0,0,0,0|4,0,0]=4
5  B9R1.69  Cc1n[nH]c(=O)[nH]c1=O T8648 [0,0,0,0,0,0|3,0,1]=4
6  B9R1.69  Fc1c[nH]c(=O)[nH]c1=O T0984 [0,0,0,0,0,0|1,0,1]=2
7  B9R1.69  Ic1c[nH]c(=S)[nH]c1=O T24173 [0,0,0,0,0,0|1,2,1]=4
8  B9R1.69  Nc1[nH]c(=O)ncc1Br T7466 [0,0,0,0,0,0|0,1,0]=1
9  B9R1.69  Nc1nc(=O)[nH]cc1F T0986 [0,0,0,0,0,0|0,0,2]=2
10  B9R1.69  Oc1cc(=O)[nH]cc1Cl T0987 [0,0,0,0,0,0|2,1,1]=4
11  B8R1.3  Nc1ccc(Cl)nc1 T7234 [1,0,0,0,0,0|3,0,0]=4
12  B8R1.3  O=c1ccc(=O)[nH][nH]1 T20781 [1,0,0,0,0,0|3,0,0]=4
13  B8R1.4  Nc1ccnc(O)n1 T4832 [1,0,0,0,0,0|0,0,2]=3
14  B8R1.4  O=c1cc[nH]c(=O)[nH]1 T0069 [1,0,0,0,0,0|1,0,1]=3
15  B8R1.4  O=c1cc[nH]c(=[Se])[nH]1 T19103 [1,0,0,0,0,0|1,1,1]=4
16  B8R1.4  Oc1ccnc(O)c1 T7963 [1,0,0,0,0,0|2,0,1]=4
17  B8R1.4  Sc1nccc(=O)[nH]1 T1310 [1,0,0,0,0,0|1,1,0]=3
18  B8R1.5  Nc1ccccc1I T20285 [1,0,0,0,0,0|2,1,0]=4
19  B8R1.5  Nc1ccncc1N T4497 [1,0,0,0,0,0|2,0,0]=3
20  B8R1.5  Nc1ccncc1N T4497L [1,0,0,0,0,0|2,0,0]=3
21  B8R1.5  Nc1ncccc1O T7923 [1,0,0,0,0,0|2,0,1]=4
22  B10R1.22  Nc1nc(N)c(N)c(N)n1 T19095 [0,1,0,0,0,0|2,0,1]=4
23  B10R1.22  O=C1NC(=O)C(=O)C(=O)N1 T7814 [0,1,0,0,0,0|2,0,1]=4
24  B10R1.22  O=C1NC(=O)C(=O)C(=O)N1 T7814L [0,1,0,0,0,0|2,0,1]=4
25  B10R1.25  Nc1[nH]c(=O)ncc1C=O T29453 [0,1,0,0,0,0|1,0,0]=2
26  B10R1.25  Nc1nc(=O)[nH]cc1CO T35363 [0,1,0,0,0,0|1,0,2]=4
27  B10R1.25  O=c1[nH]cc(C#C)c(=O)[nH]1 T7614 [0,1,0,0,0,0|2,0,1]=4
28  B10R1.25  OCc1c[nH]c(=O)[nH]c1=O T5255 [0,1,0,0,0,0|2,0,1]=4
29  B8R1.18  CC1=CC(=O)OC1=O TN6957 [0,0,0,0,1,0|3,0,0]=4
30  B8R1.18  O=C1NC(=O)C(=O)N1 T20548 [0,0,0,0,1,0|2,0,1]=4
31  B7R1.3  Cc1ccccn1 T21323 [2,0,0,0,0,0|2,0,0]=4
32  B7R1.3  O=c1cccc[nH]1 T4805 [2,0,0,0,0,0|1,0,0]=3
33  B9R1.2  NCc1ccnc(Cl)c1 T7185 [1,1,0,0,0,0|2,0,0]=4
34  B9R1.2  ONc1ccnc(=O)[nH]1 T9463 [1,1,0,0,0,0|0,0,0]=2
35  B9R1.3  Nc1ccnc(N)[n+]1[O-] T20845 [1,1,0,0,0,0|1,0,1]=4
36  B9R1.34  Nc1cc(O)nc(N)n1 T7461 [1,1,0,0,0,0|1,0,1]=4
37  B7R1.2  O=C1NC(=O)C=C1 T4820 [1,0,0,0,1,0|2,0,0]=4
38  B7R1.15  [O-]c1cc(=O)c1=O T13777 [0,0,0,0,2,0|2,0,0]=4