aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD33541 | 0.16 | 218.21 | C11H10O3N2 | NC(=O)CCN1C(=O)c2ccccc2C1=O |
|
AD33542 | -1.91 | 148.21 | C6H16O2N2 | CC([NH3+])CCC([NH3+])C(=O)O |
|
AD33543 | -0.67 | 166.27 | C6H16O2NS | C[SH](C)CCC([NH3+])C(=O)O |
|
AD33544 | -0.6 | 250.31 | C11H18ON6 | [NH3+]CCCCCCNC1=Nc2c(nc[nH]c2=O)[N]1 |
|
AD33545 | -0.03 | 264.22 | C10H10O4N5 | CC(C(=O)O)C(Nc1ncnc2c1N=C[N]2)C(=O)O |
|
AD33546 | -0.06 | 157.17 | C7H11O3N | O=CN1CCC(C(=O)O)CC1 |
|
AD33547 | 0.12 | 220.03 | C5H6O2N3Br | COc1nc(N)c(Br)c(=O)[nH]1 |
|
AD33548 | 0.17 | 209.25 | C9H15ON5 | N=c1cc(N2CCCCC2)nc(N)n1O |
|
AD33549 | 0.17 | 209.25 | C9H15ON5 | N=c1nc(N2CCCCC2)cc(N)n1O |
|
AD33550 | 0.59 | 228.24 | C11H16O5 | COC1CC2C(C(=O)O)=COC(O)C2C1C |