| Molecule ID | SMILES | Charge States | Microspecies |
|---|---|---|---|
| mol31141 | CC(=O)/C=C(C)/C=C(/C)O | 2 | 2 |
| mol31142 | CC(C)C1=C(O)CCC1=O | 2 | 3 |
| mol31143 | CC(=O)/C=C(\C)CC(C)=O | 0 | 0 |
| mol31144 | CC1(C)CC(=O)C=C(O)C1 | 2 | 2 |
| mol31145 | OCc1ccc(Cl)cc1 | 0 | 0 |
| mol31146 | CC(=O)/C=C(O)/C=C(/C)O | 2 | 3 |
| mol31147 | CC(=O)C(C(C)=O)=C(C)O | 2 | 3 |
| mol31148 | CC(=O)CC(=O)/C=C(/C)O | 2 | 3 |
| mol31149 | CCOC(=O)C/C=C(/C)O | 0 | 0 |
| mol31150 | COC1=C(O)C(=O)SC1 | 2 | 2 |
| mol31151 | COC(O)(O)C(F)(F)F | 2 | 2 |
| mol31152 | CC(=O)NC(CO)C(N)=O | 2 | 6 |
| mol31153 | C=C(O)/C=C/c1ccccc1 | 2 | 1 |
| mol31154 | CC1(C)OC(O)OC1(C)C | 2 | 2 |
| mol31155 | OC(O)(C(F)F)C(F)F | 2 | 2 |
| mol31156 | OC(O)C#Cc1ccccc1 | 2 | 2 |
| mol31157 | CC(C)=C(O)c1ccccc1 | 0 | 0 |
| mol31158 | N#[N+]c1ccc(O)c(=O)cc1 | 0 | 0 |
| mol31159 | OCC(F)(F)C(F)(F)F | 2 | 2 |
| mol31160 | COC(=O)CSC(C)O | 2 | 2 |