| Molecule ID | SMILES | Charge States | Microspecies |
|---|---|---|---|
| mol12421 | C=CC1CNC(=S)O1 | 2 | 2 |
| mol12422 | Oc1ccncc1Br | 2 | 2 |
| mol12423 | O=C(O)c1cnoc1 | 2 | 2 |
| mol12424 | CCNc1nnn[nH]1 | 2 | 2 |
| mol12425 | CN(C)c1nnn[nH]1 | 2 | 2 |
| mol12426 | Cn1n[n+](C)nc1N | 0 | 0 |
| mol12427 | CC(N)c1nnn[nH]1 | 3 | 6 |
| mol12428 | NCCc1nnn[nH]1 | 3 | 3 |
| mol12429 | CCCn1cncn1 | 2 | 3 |
| mol12430 | Cc1nnc(C)n1O | 2 | 2 |
| mol12431 | Cn1cc(O)nc1N | 3 | 4 |
| mol12432 | O/N=C/c1cnns1 | 2 | 2 |
| mol12433 | C1=CN2CCC1CC2 | 0 | 0 |
| mol12434 | C[C@H]1C[C@@H]2CCN1C2 | 2 | 2 |
| mol12435 | C1CC2CCCN2C1 | 2 | 2 |
| mol12436 | C/C=C\C=C/C(=O)O | 2 | 2 |
| mol12437 | CC/C=C/CC(=O)O | 2 | 2 |
| mol12438 | C/C=C/CCC(=O)O | 2 | 2 |
| mol12439 | C/C=C/C#CC(=O)O | 2 | 2 |
| mol12440 | CC(C)/C=C/C(=O)O | 2 | 2 |