0  B17R2.17866  CCc1c(Cl)nc(nc1c2ccccc2)Cl 1P0289MB [0,0,0,0,0,0|3,0,1]=4
1  B17R2.17866  N#Cc1c(O)nc(nc1c2ccccc2)S 1P00FUNS [0,0,0,0,0,0|1,0,0]=1
2  B16R2.2443  N#Cc1ccc(cc1c2ccncc2)N 1P028RSJ [1,0,0,0,0,0|3,0,0]=4
3  B16R2.2602  N#Cc1c(C)nccc1c2ccccc2 1P00076W [1,0,0,0,0,0|2,0,0]=3
4  B16R2.2602  N#Cc1c(Cl)nccc1c2ccccc2 1P001UO7 [1,0,0,0,0,0|2,0,0]=3
5  B16R2.6164  Clc1nc(Cl)c(c(n1)c2ccccc2)C 1P028F3C [1,0,0,0,0,0|2,0,1]=4
6  B16R2.6164  Nc1nc(C)c(c(c1)c2ccccc2)C 1P008VR1 [1,0,0,0,0,0|2,0,1]=4
7  B16R2.6164  Nc1nc(Cl)c(c(n1)c2ccccc2)Br 1P01AQR1 [1,0,0,0,0,0|2,0,0]=3
8  B16R2.6164  O=c1nc(N)[nH]c(c1Br)c2ccccc2 1P003GX5 [1,0,0,0,0,0|1,0,2]=4
9  B18R2.28143  N#Cc1c(Cl)nc(nc1c2ccc(cc2)Br)Cl 1P01DWOO [0,1,0,0,0,0|2,0,0]=3
10  B18R2.28219  N#Cc1c(Cl)nc(cc1c2ccccc2C)Cl 1P004HYZ [0,1,0,0,0,0|3,0,0]=4
11  B16R2.10936  N#Cc1c(N)sc(c1c2ccccc2)C 1P0066WY [0,0,0,0,1,0|3,0,0]=4
12  B15R2.21  N#Cc1ccccc1c2ccccc2 1P002QIX [2,0,0,0,0,0|2,0,0]=4
13  B15R2.21  N#Cc1cccnc1c2ccccc2 1P00CBJZ [2,0,0,0,0,0|1,0,0]=3
14  B15R2.33  Clc1ncc(c(n1)c2ccccc2)N 1P01NWA3 [2,0,0,0,0,0|1,0,1]=4
15  B15R2.33  Nc1ncc(c(n1)c2ccccc2)C 1P00EG4F [2,0,0,0,0,0|0,0,1]=3
16  B15R2.33  Sc1ncc(c(n1)c2ccccc2)C 1P00J331 [2,0,0,0,0,0|1,0,1]=4
17  B15R2.27  Cc1nc(Cl)nc(c1)c2ccccc2 1P00CNXD [2,0,0,0,0,0|2,0,0]=4
18  B15R2.27  Cc1nc(N)nc(c1)c2ccccc2 1P001PZA [2,0,0,0,0,0|1,0,0]=3
19  B15R2.27  Cc1nc(S)nc(c1)c2ccccc2 1P007MEH [2,0,0,0,0,0|2,0,0]=4
20  B15R2.27  Clc1nc(C)nc(c1)c2ccccc2 1P00VWXV [2,0,0,0,0,0|2,0,0]=4
21  B15R2.27  Clc1nc(Cl)nc(c1)c2ccccc2 1P002RWI [2,0,0,0,0,0|2,0,0]=4
22  B15R2.27  Clc1nc(N)nc(c1)c2ccccc2 1P00C0YQ [2,0,0,0,0,0|1,0,0]=3
23  B15R2.27  Nc1nc(Cl)cc(c1)c2ccccc2 1P00931H [2,0,0,0,0,0|2,0,0]=4
24  B15R2.27  Nc1nc(Cl)nc(c1)c2ccccc2 1P00DHE0 [2,0,0,0,0,0|2,0,0]=4
25  B15R2.27  Nc1nc(N)nc(n1)c2ccccc2 1P003BL5 [2,0,0,0,0,0|2,0,0]=4
26  B15R2.27  Oc1nc(N)nc(c1)c2ccccc2 1P00EBQ6 [2,0,0,0,0,0|0,0,0]=2
27  B15R2.27  Oc1nc(S)nc(c1)c2ccccc2 1P0033U0 [2,0,0,0,0,0|1,0,0]=3
28  B17R2.3479  Nc1ncc(c(n1)c2ccccc2)C(=O)O 1P006FDE [1,1,0,0,0,0|1,0,1]=4
29  B17R2.15077  N#Cc1c(C)nccc1c2ccc(cc2)Br 1P00GW5R [1,1,0,0,0,0|2,0,0]=4
30  B17R2.99636  N#CC(=C1N=C(c2c1cccc2)N)C(=O)N 1P019K72 [0,0,1,1,0,0|0,0,2]=4
31  B15R2.16  N#Cc1sc(nc1c2ccccc2)N 1P00ICJ4 [1,0,0,0,1,0|1,0,0]=3
32  B15R2.4334  N#Cc1cnc(nc1c2ccco2)N 1P0288IT [1,0,0,0,1,0|1,0,0]=3
33  B15R2.2349  N#Cc1c(N)[nH]cc1c2ccccc2 1P00IPVL [1,0,0,0,1,0|1,0,1]=4
34  B15R2.2349  N#Cc1c(N)occ1c2ccccc2 1P008RA4 [1,0,0,0,1,0|2,0,0]=4
35  B15R2.2349  N#Cc1c(N)onc1c2ccccc2 1P01ACB4 [1,0,0,0,1,0|2,0,0]=4
36  B15R2.2349  N#Cc1c(N)scc1c2ccccc2 1P00D9B2 [1,0,0,0,1,0|2,0,0]=4
37  B17R2.1933  N#Cc1cc(c2ccccc2)c(nc1Cl)Cl 1P0005WX [0,0,0,0,1,1|2,0,0]=4