| Molecule ID | SMILES | Charge States | Microspecies |
|---|---|---|---|
| mol9521 | O=P(O)(O)CN(CCO)CCO | 3 | 3 |
| mol9522 | CCOP(=O)(NS(C)(=O)=O)OCC | 2 | 2 |
| mol9523 | O=c1c(O)c(O)c(=O)c(=O)c1=O | 2 | 2 |
| mol9524 | CC#CC#CC(=O)O | 2 | 2 |
| mol9525 | O=C(O)c1ccc(=O)oc1 | 2 | 2 |
| mol9526 | O=C(O)c1cc(=O)cco1 | 2 | 2 |
| mol9527 | O=C(O)c1ccoc1C(=O)O | 0 | 0 |
| mol9528 | O=C(O)c1coc(C(=O)O)c1 | 0 | 0 |
| mol9529 | O=C(O)c1ccc(C(=O)O)o1 | 0 | 0 |
| mol9530 | O=C(O)c1cocc1C(=O)O | 0 | 0 |
| mol9531 | O=C(O)c1occc(=O)c1O | 2 | 2 |
| mol9532 | O=C(O)c1cc(=O)c(O)co1 | 2 | 2 |
| mol9533 | O=C1C(O)=C(O)C(=O)C(O)=C1O | 3 | 4 |
| mol9534 | N#Cc1cc2[nH]nnc2nc1N | 3 | 5 |
| mol9535 | N#CC1C=CC=C1 | 0 | 0 |
| mol9536 | CC#C/C=C/C(=O)O | 2 | 2 |
| mol9537 | CC=CC#CC(=O)O | 2 | 2 |
| mol9538 | C=CC#CCC(=O)O | 2 | 2 |
| mol9539 | Oc1cccc(O)c1O | 4 | 6 |
| mol9540 | Oc1ccc(O)c(O)c1 | 4 | 8 |