| Molecule ID | SMILES | Charge States | Microspecies |
|---|---|---|---|
| mol12561 | Cc1cc(C=O)c(O)c(C=O)c1 | 2 | 2 |
| mol12562 | CC1(C)CC(=O)C(C=O)C(=O)C1 | 2 | 2 |
| mol12563 | NCC(=O)NCCc1c[nH]cn1 | 3 | 4 |
| mol12564 | COc1cc(N)c(C#N)c(N)n1 | 2 | 4 |
| mol12565 | CN(C)c1ccc(N(C)C)cc1 | 3 | 3 |
| mol12566 | NCCNCCc1ccccc1 | 3 | 4 |
| mol12567 | Cc1cccc(/N=C/N(C)C)c1 | 2 | 2 |
| mol12568 | Cc1ccccc1/N=C/N(C)C | 2 | 2 |
| mol12569 | Cc1ccc(/N=C/N(C)C)cc1 | 2 | 2 |
| mol12570 | NCCCCCc1ccncc1 | 3 | 3 |
| mol12571 | NCCCCCc1cccnc1 | 3 | 3 |
| mol12572 | NCCCCCc1ccccn1 | 3 | 3 |
| mol12573 | CN(C)/C=N/c1ccccc1Cl | 2 | 2 |
| mol12574 | CN(C)/C=N/c1ccccc1Br | 2 | 2 |
| mol12575 | CN(C)c1cccc(NC=S)c1 | 2 | 2 |
| mol12576 | NC(=S)C(N)Cc1ccccc1 | 2 | 2 |
| mol12577 | CN(C)c1ccc(NC=S)cc1 | 2 | 2 |
| mol12578 | CN(C)/C=N/c1cccc(Cl)c1 | 2 | 2 |
| mol12579 | CN(C)/C=N/c1cccc(Br)c1 | 2 | 2 |
| mol12580 | CN(C)c1ccc(SC#N)cc1 | 2 | 2 |