| Molecule ID | SMILES | Charge States | Microspecies |
|---|---|---|---|
| mol9941 | C#CC#CC#CC(=O)O | 2 | 2 |
| mol9942 | O=C(O)c1cc(=O)cc(C(=O)O)o1 | 2 | 2 |
| mol9943 | O=C(O)c1cc(=O)c(O)c(C(=O)O)o1 | 3 | 4 |
| mol9944 | N#CC1=C(C#N)CC=C1 | 0 | 0 |
| mol9945 | N#CC1=CCC(C#N)=C1 | 0 | 0 |
| mol9946 | CCC#CC#CC(=O)O | 2 | 2 |
| mol9947 | CC#CC#CCC(=O)O | 2 | 2 |
| mol9948 | O=Cc1cccc(O)c1O | 0 | 0 |
| mol9949 | O=Cc1ccc(O)cc1O | 0 | 0 |
| mol9950 | O=Cc1cc(O)ccc1O | 0 | 0 |
| mol9951 | O=Cc1c(O)cccc1O | 0 | 0 |
| mol9952 | O=Cc1ccc(O)c(O)c1 | 3 | 4 |
| mol9953 | CC1=CC(=O)C=C(O)C1=O | 2 | 2 |
| mol9954 | O=c1ccccc(O)c1O | 3 | 4 |
| mol9955 | O=c1cccc(O)cc1O | 3 | 4 |
| mol9956 | O=c1ccc(O)ccc1O | 3 | 4 |
| mol9957 | O=C(O)c1cccc(O)c1O | 4 | 4 |
| mol9958 | O=C(O)c1cc(O)ccc1O | 4 | 5 |
| mol9959 | O=C(O)c1cc(O)cc(O)c1 | 4 | 4 |
| mol9960 | COC(=O)c1occc1C(=O)O | 0 | 0 |