| Molecule ID | SMILES | Charge States | Microspecies |
|---|---|---|---|
| mol3121 | c1coc(CNCCNCc2ccco2)c1 | 3 | 3 |
| mol3122 | NCC(=O)NCCNC(=O)CN | 3 | 3 |
| mol3123 | CC(C)NCCNC(C)C | 3 | 3 |
| mol3124 | CNCCNC | 3 | 3 |
| mol3125 | CCCNCCNCCC | 3 | 3 |
| mol3126 | CN(C)CCOC(c1ccccc1)c1ccc(Br)cc1 | 2 | 2 |
| mol3127 | CCC(N)=O | 2 | 2 |
| mol3128 | CCN(Cl)CC | 2 | 2 |
| mol3129 | OCCCNCCCl | 2 | 2 |
| mol3130 | N#CCCN(CCC#N)CCC#N | 2 | 2 |
| mol3131 | N#CCCNCCC#N | 2 | 2 |
| mol3132 | CCN(C#N)CC | 2 | 2 |
| mol3133 | CC(C)NCCC#N | 2 | 2 |
| mol3134 | CCN(CC)CC#N | 2 | 2 |
| mol3135 | NCCN | 3 | 3 |
| mol3136 | NC(=NO)C(N)=NO | 4 | 4 |
| mol3137 | CCOC(CN(CC)CC)N(CC)CC | 3 | 4 |
| mol3138 | CCN(CC)CCOCCN(C)C | 3 | 4 |
| mol3139 | CCN(CC)CCC(=O)C(c1ccccc1)c1ccccc1 | 2 | 2 |
| mol3140 | CCN(C)CCOCCN(CC)CC | 3 | 4 |