| Molecule ID | SMILES | Charge States | Microspecies |
|---|---|---|---|
| mol12721 | O=C(O)c1cccc(C2CC2)c1 | 2 | 2 |
| mol12722 | O=C1CCCC2CCCC(=O)C12 | 2 | 2 |
| mol12723 | O=C(O)c1csc2ccccc12 | 2 | 2 |
| mol12724 | O=c1c(O)c1-c1ccc(F)cc1 | 2 | 2 |
| mol12725 | O=C(O)c1cc2ccccc2s1 | 2 | 2 |
| mol12726 | OC(O)=C1SCc2ccccc21 | 2 | 2 |
| mol12727 | Cc1ccc2c(c1)CC(=O)CC2 | 0 | 0 |
| mol12728 | Cc1ccc2ccc(O)cc2c1 | 2 | 2 |
| mol12729 | Cc1cccc2ccc(O)cc12 | 2 | 2 |
| mol12730 | Oc1ccc2ccc(Cl)cc2c1 | 2 | 2 |
| mol12731 | O=C1CCc2ccc(Cl)cc2C1 | 0 | 0 |
| mol12732 | Oc1ccc2cc(Cl)ccc2c1 | 2 | 2 |
| mol12733 | O=C1CCc2cc(Cl)ccc2C1 | 0 | 0 |
| mol12734 | Oc1ccc2cccc(Cl)c2c1 | 2 | 2 |
| mol12735 | Oc1ccc2cc(I)ccc2c1 | 2 | 2 |
| mol12736 | O=C1CCc2cc(I)ccc2C1 | 0 | 0 |
| mol12737 | Oc1ccc2cccc(I)c2c1 | 2 | 2 |
| mol12738 | Oc1ccc2cc(Br)ccc2c1 | 2 | 2 |
| mol12739 | Oc1ccc2cccc(Br)c2c1 | 2 | 2 |
| mol12740 | O=c1cc(O)c2ccccc2o1 | 2 | 2 |