| Molecule ID | SMILES | Charge States | Microspecies |
|---|---|---|---|
| mol12921 | Cc1ccccc1B(O)O | 0 | 0 |
| mol12922 | O=C(O)CCc1ccsc1 | 2 | 2 |
| mol12923 | CCc1cc(C(=O)O)cs1 | 2 | 2 |
| mol12924 | O=C(O)/C=C/c1cccs1 | 2 | 2 |
| mol12925 | O=C(O)CCc1cccs1 | 2 | 2 |
| mol12926 | O=Cc1cc(Br)ccc1O | 2 | 2 |
| mol12927 | O=c1ccc(O)c(Br)cc1 | 2 | 2 |
| mol12928 | Cc1ccccc1S(=O)O | 2 | 2 |
| mol12929 | Cc1cccc([Se](=O)O)c1 | 2 | 2 |
| mol12930 | Cc1cc(I)c(O)c(I)c1 | 2 | 2 |
| mol12931 | Cc1cc(Br)cc(Br)c1O | 2 | 2 |
| mol12932 | Cc1ccc(C(=O)S)cc1 | 2 | 2 |
| mol12933 | O=C(O)/C=C/c1ccoc1 | 2 | 2 |
| mol12934 | O=C(O)CCc1ccoc1 | 2 | 2 |
| mol12935 | O=C(O)[C@@H]1CCC[C@H](O)C1 | 2 | 2 |
| mol12936 | O=C(O)[C@H]1CCC[C@H](O)C1 | 2 | 2 |
| mol12937 | COCC1=C(C(=O)O)CC1 | 2 | 2 |
| mol12938 | O=C(OO)c1ccccc1 | 2 | 2 |
| mol12939 | O=C(O)/C=C/c1ccco1 | 2 | 2 |
| mol12940 | O=C(O)CCc1ccco1 | 2 | 2 |