| Molecule ID | SMILES | Charge States | Microspecies |
|---|---|---|---|
| mol14121 | CCC1C(=O)C=C(C)OC1=O | 2 | 3 |
| mol14122 | COCC1=C(C(=O)O)CCC1 | 2 | 2 |
| mol14123 | O=C(O)c1cccc(=O)cc1 | 2 | 2 |
| mol14124 | OCc1cccc(CO)c1O | 2 | 2 |
| mol14125 | COc1cccc(C=O)c1O | 2 | 2 |
| mol14126 | COc1cccc(OC)c1O | 2 | 2 |
| mol14127 | COc1cc(CO)ccc1O | 2 | 2 |
| mol14128 | CCOC(=O)C1CCCC1=O | 2 | 3 |
| mol14129 | COc1ccc(C=O)cc1O | 2 | 2 |
| mol14130 | O=S(=O)(O)c1ccc(Br)cc1 | 2 | 2 |
| mol14131 | COc1ccc(B(O)O)cc1 | 0 | 0 |
| mol14132 | O=Cc1cccc(B(O)O)c1 | 0 | 0 |
| mol14133 | O=Cc1ccccc1B(O)O | 0 | 0 |
| mol14134 | Cc1cccc(S(=O)(=O)O)c1 | 0 | 0 |
| mol14135 | CC(=O)c1ccc(C(=O)O)s1 | 2 | 2 |
| mol14136 | CCn1nnc(CC(=O)O)n1 | 2 | 2 |
| mol14137 | CCn1nnnc1CC(=O)O | 2 | 2 |
| mol14138 | NC(Cc1nc[nH]n1)C(=O)O | 5 | 8 |
| mol14139 | CNc1nnc(S(N)(=O)=O)s1 | 2 | 2 |
| mol14140 | Cc1cc(C)c(CN)cc1N | 3 | 3 |