aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD29451 | -2.25 | 186.3 | C10H22ON2 | OCC[NH2+]C1CC[NH+](C2CC2)CC1 |
|
AD29452 | 0.7 | 197.26 | C9H11O2NS | O=C(NCCO)c1cccc(S)c1 |
|
AD29453 | 1.68 | 208.19 | C10H9O2N2F | Cc1ccc(-c2nnc(CO)o2)cc1F |
|
AD29454 | 0.78 | 185.27 | C10H19O2N | CC1(C)C(C(=O)NCCO)C1(C)C |
|
AD29455 | 1.23 | 202.24 | C10H12N5 | CN(CC1CC1)c1ncnc2c1N=C[N]2 |
|
AD29456 | 1.23 | 202.24 | C10H12N5 | CC1CCN(c2ncnc3c2N=C[N]3)C1 |
|
AD29457 | 1.76 | 216.27 | C11H14N5 | CCC1CCCN1c1ncnc2c1N=C[N]2 |
|
AD29458 | 1.76 | 216.27 | C11H14N5 | CCCN(c1ncnc2c1N=C[N]2)C1CC1 |
|
AD29459 | 1.73 | 181.26 | C9H11ONS | NC(=O)c1csc2c1CCCC2 |
|
AD29460 | 0.78 | 202.32 | C9H18ON2S | OCCNC(=S)NC1CCCCC1 |