| Molecule ID | SMILES | Charge States | Microspecies |
|---|---|---|---|
| mol30541 | COc1cc(O)c(C)cc1O | 2 | 3 |
| mol30542 | Cc1cc(O)c(O)c(C)c1O | 2 | 6 |
| mol30543 | Cc1c(O)cc(O)c(O)c1C | 2 | 4 |
| mol30544 | O=[N+]([O-])c1cc(F)ccc1O | 0 | 0 |
| mol30545 | O=[N+]([O-])c1cccc(F)c1O | 0 | 0 |
| mol30546 | Nc1ccc(O)c2ccccc12 | 2 | 2 |
| mol30547 | Nc1ccc2ccccc2c1O | 2 | 2 |
| mol30548 | Nc1c(O)ccc2ccccc12 | 2 | 2 |
| mol30549 | Nc1ccc2cccc(O)c2c1 | 3 | 3 |
| mol30550 | Oc1ccccc1-c1c[nH]cn1 | 2 | 2 |
| mol30551 | CC(=O)c1cc(C#N)ccc1O | 2 | 2 |
| mol30552 | Oc1ccccc1C(F)(F)F | 2 | 2 |
| mol30553 | Oc1ccccc1C1CCCC1 | 2 | 2 |
| mol30554 | Oc1ccc(C2CCCC2)cc1 | 2 | 2 |
| mol30555 | CC/N=C(\C)c1ccccc1O | 3 | 4 |
| mol30556 | CC/N=C/c1ccc(S(=O)(=O)O)cc1O | 3 | 5 |
| mol30557 | CCC(C)(C)c1ccc(O)cc1 | 2 | 2 |
| mol30558 | Cc1ccc(C(C)(C)C)c(O)c1 | 2 | 2 |
| mol30559 | CCc1ccc(C(C)C)c(O)c1 | 2 | 2 |
| mol30560 | Cc1c(C)c(C)c(O)c(C)c1C | 0 | 0 |