| Molecule ID | SMILES | Charge States | Microspecies |
|---|---|---|---|
| mol3721 | Cc1ncc(CO)c(C)c1O | 3 | 4 |
| mol3722 | Ic1ccccn1 | 2 | 2 |
| mol3723 | Ic1cccnc1 | 2 | 2 |
| mol3724 | Ic1ccncc1 | 2 | 2 |
| mol3725 | CC(C)c1ccccn1 | 2 | 2 |
| mol3726 | CC(C)c1cccnc1 | 2 | 2 |
| mol3727 | CC(C)c1ccncc1 | 2 | 2 |
| mol3728 | CNc1ccncc1C(C)C | 2 | 3 |
| mol3729 | Sc1ccccn1 | 3 | 3 |
| mol3730 | Sc1cccnc1 | 3 | 4 |
| mol3731 | Sc1ccncc1 | 3 | 4 |
| mol3732 | CN1C=CC=C(S)C1 | 0 | 0 |
| mol3733 | CS(=O)(=O)Nc1ccccn1 | 3 | 4 |
| mol3734 | CS(=O)(=O)Nc1cccnc1 | 3 | 4 |
| mol3735 | CS(=O)(=O)Nc1ccncc1 | 3 | 4 |
| mol3736 | COc1ccccn1 | 2 | 2 |
| mol3737 | COc1cccnc1 | 2 | 2 |
| mol3738 | COc1ccncc1 | 2 | 2 |
| mol3739 | COC(=O)c1ccccn1 | 2 | 2 |
| mol3740 | COc1cncc(-c2ccccc2)c1C | 2 | 2 |