aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD03801 | 3.38 | 381.77 | C17H13N6F3Cl | FC(F)(F)c1ccc(N2CCN(c3nc(Cl)nc4c3N=C[N]4)CC2)cc1 |
|
AD03802 | 2.89 | 734.79 | C28H56O12N4P2S | CCCCCCCCCCCCC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OC)C(=O)NCC(N)=O |
|
AD03803 | 1.42 | 231.26 | C12H13O2N3 | COC(=O)c1nnn(Cc2ccccc2)c1C |
|
AD03804 | 3.01 | 585.78 | C31H55O9N | CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)CC)C2O)C2(C)CC(C)=C(O2)C(C)C(O)C1(C)OC |
|
AD03805 | 0.98 | 247.21 | C11H9O4N3 | CNc1c(Nc2cccc([N+](=O)[O-])c2)c(=O)c1=O |
|
AD03806 | 0.36 | 213.02 | C5H3N5Br | Nc1ncnc2c1C(Br)=N[N]2 |
|
AD03807 | -1.5 | 177.15 | C6H5ON6 | NC(=O)C1=N[N]c2ncnc(N)c21 |
|
AD03808 | 0.53 | 168.57 | C6H3N5Cl | Nc1ncnc2c1N=C(Cl)[N]2 |
|
AD03809 | 1.51 | 220.18 | C11H8O5 | Cc1c(O)ccc2cc(C(=O)O)c(=O)oc12 |
|
AD03810 | -1.17 | 295.32 | C8H11O6N2S2 | O=S(=O)([O-])CNc1ccc(S(=O)(=O)NCO)cc1 |