| Molecule ID | SMILES | Charge States | Microspecies |
|---|---|---|---|
| mol13101 | CCP(=O)(CC)CC(C)=O | 0 | 0 |
| mol13102 | C=C(C)C=C(O)C=C(C)C | 2 | 2 |
| mol13103 | C=C(/C=C(/C)O)C(C)(C)C | 2 | 2 |
| mol13104 | N#CC(C#N)C(C#N)C#N | 2 | 2 |
| mol13105 | CC(C)(C)NNC(C)(C)C | 2 | 2 |
| mol13106 | CCN(CC)N(CC)CC | 2 | 2 |
| mol13107 | CCCN(C)N(C)CCC | 2 | 2 |
| mol13108 | CCNCC#CCNCC | 2 | 2 |
| mol13109 | CCP(=S)(CC)C(=S)NN | 2 | 2 |
| mol13110 | NC(=O)[C@@H](O)[C@H](N)C(=O)O | 3 | 3 |
| mol13111 | NC(=O)[C@H](N)[C@H](O)C(=O)O | 3 | 3 |
| mol13112 | CCN(CC)CC(C)=NO | 2 | 3 |
| mol13113 | NC(=O)CCC(N)C(=O)O | 4 | 4 |
| mol13114 | CC(C)(C(N)=O)S(N)(=O)=O | 2 | 2 |
| mol13115 | CC(C)N(C(C)C)C(C)C | 2 | 2 |
| mol13116 | CCC(C)(C)N(C)C(C)C | 2 | 2 |
| mol13117 | C#CC(C)(C)N(C)C(C)C | 2 | 2 |
| mol13118 | CCSCCN(CC)CC | 2 | 2 |
| mol13119 | CCCN(CCC)CCS | 3 | 4 |
| mol13120 | CC(C)N(CCS)C(C)C | 2 | 2 |