| Molecule ID | SMILES | Charge States | Microspecies |
|---|---|---|---|
| mol9061 | CC(O)C(=O)NO | 2 | 2 |
| mol9062 | C=CC[As](=O)(O)O | 3 | 3 |
| mol9063 | NCCC([N+](=O)[O-])[N+](=O)[O-] | 2 | 2 |
| mol9064 | O=C(O)C(CO)OP(=O)(O)O | 4 | 6 |
| mol9065 | CN(C)C(=S)S | 2 | 2 |
| mol9066 | CCNC(=S)S | 2 | 2 |
| mol9067 | OCC(S)CS | 3 | 4 |
| mol9068 | COCC(=O)NN | 3 | 4 |
| mol9069 | CC(N)C(=O)NO | 3 | 4 |
| mol9070 | NCCC(=O)NO | 3 | 4 |
| mol9071 | OCC(O)CS | 2 | 2 |
| mol9072 | O=S(=O)(O)CC(S)CS | 3 | 4 |
| mol9073 | O=S(=O)(O)C(CS)CS | 3 | 3 |
| mol9074 | CS(=O)(=O)CS(C)(=O)=O | 0 | 0 |
| mol9075 | CCOP(C)(=O)O | 2 | 2 |
| mol9076 | CC(C)P(=O)(O)O | 3 | 3 |
| mol9077 | CCP(=O)(O)OC | 2 | 2 |
| mol9078 | CC(C)[As](=O)(O)O | 3 | 3 |
| mol9079 | CC(C)OP(=O)(O)O | 3 | 3 |
| mol9080 | CCCOP(=O)(O)O | 3 | 3 |