aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD37101 | -0.39 | 80.09 | C5H4O | C#CC(O)C#C |
|
AD37102 | -0.86 | 290.28 | C11H8O3N5S | N#Cc1ccc(S(=O)(=O)NC2=C(C(N)=O)N=C[N]2)cc1 |
|
AD37103 | -0.86 | 290.28 | C11H8O3N5S | N#Cc1ccccc1S(=O)(=O)NC1=C(C(N)=O)N=C[N]1 |
|
AD37104 | -0.86 | 290.28 | C11H8O3N5S | N#Cc1cccc(S(=O)(=O)NC2=C(C(N)=O)N=C[N]2)c1 |
|
AD37105 | -0.68 | 269.31 | C10H13O3N4S | C=CCC1(S(=O)(=O)NC2=C(C(N)=O)N=C[N]2)CC1 |
|
AD37106 | 0.12 | 257.25 | C13H11O3N3 | N#Cc1ccc2[nH]c(C(=O)NCCO)cc(=O)c2c1 |
|
AD37107 | 0.99 | 242.24 | C12H10O2N4 | COC(=O)C(C#N)c1nc2ccccc2nc1N |
|
AD37108 | -0.11 | 211.22 | C9H13O3N3 | C=C(C)C(=O)OCc1cn(CCO)nn1 |
|
AD37109 | 1.01 | 207.28 | C11H17ON3 | C#CCCCCCc1cn(CCO)nn1 |
|
AD37110 | 0.56 | 250.23 | C11H12O4N3 | C#CCC(CC1=C[N]N=N1)(C(=O)OC)C(=O)OC |