0  B17R3.51119  Cc1cccc2nc3c(n12)N=CNC3=O Amb18631770 [1,0,0,0,0,0|3,0,0]=4
1  B17R3.51119  O=C1NC=Nc2c1sc3cccc(Cl)c23 Amb19747133 [1,0,0,0,0,0|0,0,0]=1
2  B17R3.51119  O=C1NC=Nc2c1sc3cccc(F)c23 Amb19747126 [1,0,0,0,0,0|0,1,0]=2
3  B17R3.51119  Sc1ncnc2c1sc3cccc(Cl)c32 Amb20412769 [1,0,0,0,0,0|0,1,1]=3
4  B17R3.51120  Cc1cccn2c3c(nc12)C(=O)NC=N3 Amb18631767 [1,0,0,0,0,0|3,0,0]=4
5  B16R2.2911  Clc1ccc(Cl)c(-c2cc(Cl)ncn2)c1 Amb27454605 [1,0,1,0,0,0|1,0,1]=4
6  B16R2.2911  Clc1ccnc(-c2cc(Cl)ccc2Cl)c1 Amb25168208 [1,0,1,0,0,0|2,0,0]=4
7  B16R2.2911  Fc1ccnc(-c2cc(Cl)ccc2Cl)c1 Amb24396961 [1,0,1,0,0,0|2,0,0]=4
8  B16R2.2911  O=C1C=C(c2cc(Cl)ccc2Cl)C=CN1 Amb33850121 [1,0,1,0,0,0|1,0,0]=3
9  B16R2.2921  O=C1NC=NC(c2cccc(Cl)c2)=C1Br Amb32417867 [1,0,1,0,0,0|1,0,0]=3
10  B16R2.2921  O=C1NC=NC(c2cccc(Cl)c2)=C1I Amb32417941 [1,0,1,0,0,0|1,0,0]=3
11  B16R2.2921  O=C1NC=NC(c2cccc(F)c2)=C1I Amb32417931 [1,0,1,0,0,0|1,1,0]=4
12  B16R2.2921  O=C1NC=NC(c2ccnc(Cl)c2)=C1Br Amb32584307 [1,0,1,0,0,0|2,0,0]=4
13  B16R2.3273  O=C1NC=NC(c2ccccc2F)=C1Cl Amb32417965 [1,0,1,0,0,0|1,1,0]=4
14  B16R2.3273  O=C1NC=NC(c2ccccc2F)=C1I Amb32417927 [1,0,1,0,0,0|1,1,0]=4
15  B16R2.33988  NNC(=O)c1sc2cccc(Cl)c2c1Cl Amb1950404 [1,0,1,0,0,0|2,0,0]=4
16  B16R3.3329  Clc1cccc2c1sc3ccccc32 Amb2642839 [2,0,0,0,0,0|2,0,0]=4
17  B16R3.3329  Clc1ncnc2c1sc3ccccc32 Amb2608938 [2,0,0,0,0,0|1,0,1]=4
18  B16R3.3329  O=C1NC=Cc2c1oc3ccccc23 Amb27413604 [2,0,0,0,0,0|1,1,0]=4
19  B16R3.3329  O=C1NC=Nc2c1nc3ccccn23 Amb18631766 [2,0,0,0,0,0|2,0,0]=4
20  B16R3.3329  O=C1NC=Nc2c1oc3ccccc23 Amb18532464 [2,0,0,0,0,0|0,1,0]=3
21  B16R3.3329  O=C1NC=Nc2c1sc3ccccc23 Amb19747148 [2,0,0,0,0,0|0,0,0]=2
22  B16R3.3329  O=C1NC=Nc2c1sc3ncccc23 Amb19667268 [2,0,0,0,0,0|1,0,0]=3
23  B16R3.3329  O=C1NC=Nc2c1sc3nnccc23 Amb21948139 [2,0,0,0,0,0|2,0,0]=4
24  B16R3.3329  O=C1NN=Nc2c1sc3ncccc23 Amb27478450 [2,0,0,0,0,0|2,0,0]=4
25  B16R3.3329  O=c1ncnc2c1nc3ccccc32 Amb1035463 [2,0,0,0,0,0|1,0,1]=4
26  B16R3.3329  OC1NC=Nc2c1sc3ccccc23 Amb24277085 [2,0,0,0,0,0|0,0,2]=4
27  B16R3.3329  S=C1NC=Nc2c1oc3ccccc23 Amb18532465 [2,0,0,0,0,0|0,2,0]=4
28  B16R3.3329  Sc1ncnc2c1sc3ccccc32 Amb20412758 [2,0,0,0,0,0|0,1,1]=4
29  B18R2.23358  N#CC1=C(c2cc(Cl)ccc2Cl)C=CNC1=O Amb18539104 [0,1,1,0,0,0|2,0,0]=4
30  B18R3.824597  CC1=Nc2c(sc3cccc(Cl)c23)C(=O)N1 Amb19906664 [1,1,0,0,0,0|0,0,0]=2
31  B18R3.824597  CC1=Nc2c(sc3cccc(F)c23)C(=O)N1 Amb19852849 [1,1,0,0,0,0|0,1,0]=3
32  B18R3.824597  CC1=Nc2c(sc3cccc(F)c23)C(=S)N1 Amb32423153 [1,1,0,0,0,0|0,2,0]=4
33  B18R3.824597  Cc1nc(S)c2sc3cccc(Cl)c3c2n1 Amb20412770 [1,1,0,0,0,0|0,1,1]=4
34  B18R3.834325  Cc1cc(C)c2c3c(sc2n1)C(=O)NC=N3 Amb19205130 [1,1,0,0,0,0|2,0,0]=4
35  B18R3.152977  COc1cccc2c3c(oc12)C(=O)NC=N3 Amb31288589 [1,1,0,0,0,0|1,1,0]=4
36  B18R3.5893  O=C1NC=Nc2cc(-c3ccccc3)sc21 Amb18035922 [0,0,1,1,0,0|2,0,0]=4
37  B18R3.5867  O=C1NC=Nc2c(-c3ccccc3)csc21 Amb19747212 [0,0,1,1,0,0|2,0,0]=4