| Molecule ID | SMILES | Charge States | Microspecies |
|---|---|---|---|
| mol2241 | O=C(O)CO | 3 | 3 |
| mol2242 | O=C(O)c1c(O)cccc1O | 4 | 4 |
| mol2243 | COCCN | 2 | 2 |
| mol2244 | Oc1ccncn1 | 3 | 4 |
| mol2245 | NCC(Cl)(Cl)Cl | 2 | 2 |
| mol2246 | O=C(O)c1ccc(O)cc1 | 3 | 3 |
| mol2247 | CCC(=O)O[C@H](C)CN(C)C | 2 | 2 |
| mol2248 | Cc1nc2ccncc2nc1O | 3 | 5 |
| mol2249 | Oc1cccnc1 | 3 | 4 |
| mol2250 | Oc1cccc2cc3ccccc3nc12 | 3 | 3 |
| mol2251 | COc1ccc(CN)cc1 | 2 | 2 |
| mol2252 | NC(CO)(CO)CO | 2 | 2 |
| mol2253 | CC(C)NC[C@H](O)c1ccc(O)cc1 | 2 | 3 |
| mol2254 | OCCNC(CO)(CO)CO | 2 | 2 |
| mol2255 | CSc1ccc(O)cc1 | 2 | 2 |
| mol2256 | C/C=C(/C)C(=O)O | 2 | 2 |
| mol2257 | COC(=O)C(CCC(=O)O)(c1ccccc1)c1ccccc1 | 2 | 2 |
| mol2258 | O=C(O)Cc1ccccc1 | 2 | 2 |
| mol2259 | CCC(=O)O | 2 | 2 |
| mol2260 | CN(C)Cc1ccccc1 | 2 | 2 |