aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD25441 | 0.34 | 167.17 | C5H3ON4S | O=c1[nH]c(=S)[nH]c2c1[N]C=N2 |
|
AD25442 | -0.04 | 168.18 | C5H4ON4S | Nc1nc(=O)[nH]c2scnc12 |
|
AD25443 | 0.25 | 186.24 | C7H10O2N2S | CCSCn1ccc(=O)[nH]c1=O |
|
AD25444 | -1.34 | 141.13 | C5H7O2N3 | Cn1c(=O)cc(N)[nH]c1=O |
|
AD25445 | -0.12 | 169.19 | C6H5O2N2S | O=c1cc(O)[nH+]c2sccn12 |
|
AD25446 | 0.36 | 180.22 | C6H6N5S | CSc1nc(N)c2c(n1)[N]N=C2 |
|
AD25447 | -0.18 | 143.17 | C4H5ON3S | NC(=O)c1csc(N)n1 |
|
AD25448 | -0.82 | 183.17 | C7H9O3N3 | COc1nc(N)c(C=O)c(=O)n1C |
|
AD25449 | 0.08 | 171.22 | C6H9ON3S | CSc1nc(N)cc(=O)n1C |
|
AD25450 | 0.02 | 189.6 | C7H8O2N3Cl | COc1nc(N)c(Cl)c(=O)n1C |