| Flag | Comment |
|---|---|
| ELE | Distribution of electrons: bond types, atom charges, radicals, valences |
| MAS | Atom isotopes |
| STE | Stereochemistry: chiral centers, stereogroups, and cis-trans bonds |
| FRA | Connected fragments: disallows match of separate ions in salts |
| ALL | All of the above (the most restrictive kind of search) |
| NONE | None of the above (the most flexible kind of search) |
| $rms | Affine transformation, see the substructure search description for details |
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The flags, which can be combined in any way, should go in the parameters string separated by space. The rms number, if present, should go after the flags; for example: ALL 0.1. You can write the minus sign before the flag to exclude it from the ‘ALL’ flag. For example, ‘ALL -MAS’ means that all the described features except the isotopes must match. The NONE flag, if present, must be single. |
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