0  B14R2.5745  CN1C=NC2=C1C(=O)NC(=O)N2C Z56347209 [0,0,0,0,0,0|0,0,0]=0
1  B13R2.5393  CN1C(=O)NC(=O)C2=C1N=CN2 Z1741977122 [1,0,0,0,0,0|0,0,0]=1
2  B13R2.5393  CN1C(=O)OC(=O)C2=C1C=CS2 Z2718777052 [1,0,0,0,0,0|3,0,0]=4
3  B13R2.11642  CC1=CC2=C(C(=O)N1)N(C=C2)C Z1268632942 [1,0,0,0,0,0|3,0,0]=4
4  B13R2.11642  CN1N=CC2=C1C(=O)NC(=O)N2 Z1255429801 [1,0,0,0,0,0|2,0,0]=3
5  B15R2.9281  CN1C=NC2=C1C(=O)N(C(=O)N2C)C Z104507896 [0,1,0,0,0,0|0,0,0]=1
6  B15R2.59803  CN1C(=O)NC(=O)C2=C1N=C(N2C)Br Z57161789 [0,1,0,0,0,0|0,0,0]=1
7  B15R2.59803  CN1C(=O)NC(=O)C2=C1N=C(N2C)N Z1262629751 [0,1,0,0,0,0|0,0,0]=1
8  B13R1.439  CN1C=CC=C1C(=O)NC(=O)CCl Z56943540 [0,0,1,0,0,0|3,0,0]=4
9  B13R1.2812  CC(=O)C1=C(N(C(=O)NC1=O)C)C Z821298688 [0,0,1,0,0,0|3,0,0]=4
10  B13R1.2812  CN(C)C1=C(N(C(=O)NC1=O)C)N Z55854425 [0,0,1,0,0,0|0,0,2]=3
11  B15R2.63814  CC1=CC2=C(C=C1)N(C(=O)OC2=O)C Z111834192 [0,0,0,0,0,1|3,0,0]=4
12  B15R2.63814  CN1C(=O)NC(=O)C2=C1N=CC(=C2)Br Z680888868 [0,0,0,0,0,1|2,0,0]=3
13  B12R1.353  COC(=O)/C=C/C1=CN=CN1C Z1464062860 [1,0,1,0,0,0|2,0,0]=4
14  B12R1.498  CN1C=NC(=C1C(=O)N)C(=O)N Z57111265 [1,0,1,0,0,0|2,0,0]=4
15  B12R2.203  CN1C=CC2=C1C(=O)NC=C2 Z1170358515 [2,0,0,0,0,0|2,0,0]=4
16  B12R2.203  CN1C=NC2=C1C(=O)NC=N2 Z1694636463 [2,0,0,0,0,0|0,0,1]=3
17  B12R2.203  CN1C=NC2=C1C(=O)NCC2 Z1416186979 [2,0,0,0,0,0|1,0,1]=4
18  B12R2.246  NC1=NC(=O)C2=C(N1)N=CN2 Z256709612 [2,0,0,0,0,0|1,0,1]=4
19  B12R2.246  O=C1NC(=O)C2=C(N1)C=CN2 Z1198175553 [2,0,0,0,0,0|1,0,0]=3
20  B12R2.246  O=C1NC(=O)C2=C(N1)C=CS2 Z287017748 [2,0,0,0,0,0|2,0,0]=4
21  B12R2.246  O=C1NC(=O)C2=C(N1)NC=N2 Z57825360 [2,0,0,0,0,0|0,0,2]=4
22  B12R2.246  O=C1NC(=O)C2=C(N1)SC=N2 Z3241252485 [2,0,0,0,0,0|1,0,1]=4
23  B14R1.3242  CCOC(=O)CC(=O)C1=CN=CN1C Z1557235477 [0,1,1,0,0,0|2,0,0]=4
24  B14R2.3994  CCN1C(=O)NC(=O)C2=C1N=CN2 Z1238571221 [1,1,0,0,0,0|0,0,0]=2
25  B14R2.5591  CN1C(=O)C2=C(N=CN2)N(C1=O)C Z203045518 [1,1,0,0,0,0|0,0,0]=2
26  B14R2.9026  CC1=NC2=C(N1)C(=O)NC(=O)N2C Z1255450597 [1,1,0,0,0,0|0,0,0]=2
27  B14R2.9026  CN1C(=O)NC(=O)C2=C1N=C(N2)N Z1262626804 [1,1,0,0,0,0|0,0,0]=2
28  B14R2.9026  CN1C(=O)NC(=O)C2=C1NC(=N2)Cl Z763361892 [1,1,0,0,0,0|0,0,2]=4
29  B14R2.24376  CN1C=NC2=C1C(=O)N(C(=O)N2)C Z1255430986 [1,1,0,0,0,0|0,0,0]=2
30  B14R2.27750  CC1=C(C2=C(N1)NC(=O)NC2=O)C Z1262692892 [1,1,0,0,0,0|1,0,1]=4
31  B14R2.27750  CN1C(=O)NC2=C1C(=O)NC(=O)N2 Z1198148402 [1,1,0,0,0,0|0,0,1]=3
32  B16R2.22899  CN1C(=O)C2=C(N=CN=C2N)N(C1=O)C Z276162518 [0,1,0,0,0,1|2,0,0]=4
33  B16R2.124012  CC1=NC2=C(NC1=O)N(C(=O)NC2=O)C Z1509146354 [0,1,0,0,0,1|1,0,1]=4
34  B16R2.133343  CN1C(=O)C2=C(N=CC(=C2)N)N(C1=O)C Z166627734 [0,1,0,0,0,1|2,0,0]=4
35  B16R2.16945  CCCN1C=NC2=C1C(=O)NC(=O)N2C Z839027068 [0,2,0,0,0,0|0,0,0]=2
36  B16R2.42322  CCN1C=NC2=C1C(=O)N(C(=O)N2C)C Z112207566 [0,2,0,0,0,0|0,0,0]=2
37  B16R2.218421  CN1C(=O)C2=C(N=C(N2C)Cl)N(C1=O)C Z104495030 [0,2,0,0,0,0|0,0,0]=2
38  B16R2.218421  CN1C(=O)C2=C(N=C(N2C)N)N(C1=O)C Z1509384713 [0,2,0,0,0,0|0,0,0]=2
39  B16R2.187645  CN1C(=O)NC(=O)C2=C1N=C(N2C)C=O Z756361492 [0,2,0,0,0,0|0,0,0]=2
40  B14R1.4461  CNC(=O)COC(=O)C1=CC=CN1C Z16035821 [0,0,1,0,0,1|2,0,0]=4
41  B14R2.8716  CC1=CC2=C(C=C1)N(C(=O)C2=O)C Z111676406 [0,0,0,0,1,1|2,0,0]=4