| Molecule ID | SMILES | Charge States | Microspecies |
|---|---|---|---|
| mol2441 | CN(c1ccccn1)S(C)(=O)=O | 2 | 3 |
| mol2442 | c1ccc(/N=N/c2ccccn2)cc1 | 2 | 3 |
| mol2443 | c1ccc(CN2CCCCC2)nc1 | 3 | 3 |
| mol2444 | CCCCN1CCC[C@H]1C | 2 | 2 |
| mol2445 | C1CCC([C@@H]2CCCN2)CC1 | 2 | 2 |
| mol2446 | CC[C@@H]1CCCN1C | 2 | 2 |
| mol2447 | c1ccc([C@@H]2CCCN2)cc1 | 2 | 2 |
| mol2448 | C1=C(C2CCCCC2)NCC1 | 2 | 2 |
| mol2449 | CC1=CCCN1C | 2 | 2 |
| mol2450 | CCN1CCC=C1C | 2 | 2 |
| mol2451 | C1=C(c2ccccc2)NCC1 | 2 | 2 |
| mol2452 | O=C(CCN1CCOCC1)C(c1ccccc1)c1ccccc1 | 2 | 2 |
| mol2453 | Oc1ccc(O)nn1 | 4 | 4 |
| mol2454 | Oc1cccnn1 | 3 | 4 |
| mol2455 | Nc1ncc(Br)cn1 | 2 | 3 |
| mol2456 | [H]/N=c1/cc(SC)n(C)c(N)n1 | 2 | 0 |
| mol2457 | CNc1nccc(O)n1 | 3 | 5 |
| mol2458 | CCCNc1ncccn1 | 2 | 3 |
| mol2459 | Cc1ccc(O)c(C)c1 | 2 | 2 |
| mol2460 | Cc1ccc(C)c(O)c1 | 2 | 2 |