| Molecule ID | SMILES | Charge States | Microspecies |
|---|---|---|---|
| mol31741 | O=C(O)[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)CO | 2 | 2 |
| mol31742 | O=C(O)NNC(=O)O | 2 | 2 |
| mol31743 | O=C(O)CN=C=S | 2 | 3 |
| mol31744 | O=C(O)C[C@@H](S)C(=O)O | 2 | 3 |
| mol31745 | C[C@@H](CC(=O)O)C(=O)O | 2 | 3 |
| mol31746 | CC(=O)N[C@@H](C)C(=O)O | 2 | 2 |
| mol31747 | CC(=O)C(C(C)=O)C(C)=O | 2 | 3 |
| mol31748 | CCC(CN)(CN)CN | 2 | 2 |
| mol31749 | CCN1CCCC[C@@H]1C | 2 | 2 |
| mol31750 | CCCCn1cnc2ccc(C)cc21 | 2 | 2 |
| mol31751 | Cc1ccc(C)c(C)n1 | 2 | 2 |
| mol31752 | CC[C@H](N)CO | 2 | 2 |
| mol31753 | C[C@@H](N)CO | 2 | 2 |
| mol31754 | CCC(N)(CC)CO | 2 | 2 |
| mol31755 | c1ccc(C[C@H]2CCCN2)cc1 | 2 | 2 |
| mol31756 | C1CCC([C@H]2CCCN2)CC1 | 2 | 2 |
| mol31757 | C[C@H](N)CC(=O)O | 2 | 2 |
| mol31758 | N[C@H](CC(=O)O)C(F)(F)F | 2 | 2 |
| mol31759 | Nc1ccncc1CBr | 2 | 3 |
| mol31760 | N[C@H]1CONC1=O | 2 | 2 |