| Molecule ID | SMILES | Charge States | Microspecies |
|---|---|---|---|
| mol22721 | Nc1cc(Cl)cc(C(=O)O)c1 | 0 | 0 |
| mol22722 | Nc1cc(C(=O)O)ccc1Cl | 2 | 2 |
| mol22723 | O=C(O)c1cccc(O)c1Cl | 2 | 2 |
| mol22724 | O=C(O)c1cc(O)ccc1Cl | 2 | 2 |
| mol22725 | O=C(O)c1cc(O)cc(Cl)c1 | 2 | 2 |
| mol22726 | O=C(O)c1cccc(Cl)c1O | 2 | 2 |
| mol22727 | N#Cc1cc(C#N)cc(C(=O)O)c1 | 0 | 0 |
| mol22728 | O=C(O)c1c(F)cccc1Cl | 2 | 2 |
| mol22729 | Cc1cc(C(=O)O)cc(C)c1C#N | 0 | 0 |
| mol22730 | O=C(O)c1cccc(C2CCC2)c1 | 0 | 0 |
| mol22731 | Cc1cc(C(=O)O)c(C)c(C)c1C | 2 | 2 |
| mol22732 | CCc1cc(CC)cc(C(=O)O)c1 | 0 | 0 |
| mol22733 | Cc1cc(C)c(C(=O)O)c(C)c1C | 2 | 2 |
| mol22734 | CCc1cccc(CC)c1C(=O)O | 0 | 0 |
| mol22735 | O=C(O)c1cccc(N=C=S)c1 | 0 | 0 |
| mol22736 | O=C(O)c1ccc(N=C=S)cc1 | 0 | 0 |
| mol22737 | C=COc1cc(N)ccc1C(=O)O | 2 | 3 |
| mol22738 | CN(C)Cc1ccc(C(=O)O)cc1 | 2 | 2 |
| mol22739 | O=C(O)COc1ccc(C(=O)O)cc1 | 0 | 0 |
| mol22740 | O=C(O)Cc1ccc(C(=O)O)c(O)c1 | 2 | 3 |