InChi and InChiKey export options¶
Export options¶
| Codename | Explanation |
|---|---|
| H, +H | Add explicit Hydrogen atoms. |
| -H | Remove explicit Hydrogen atoms. |
| Tf1:f2... | Exports molecule properties with key f1, f2, ... The keys are separated wit : character. T* exports all fields. Only for single line results, see AuxNone option |
| Srel | Force relative stereo. |
| SAbs | Force absolute stereo |
| NEWPS | Narrow end of wedge points to stereocenter (default: both) |
| RecMet | Include reconnected metals results |
| FixedH | Mobile H Perception Off (Default: On) |
| AuxNone | Omit auxiliary information (default: Include) |
| NoADP | Disable Aggressive Deprotonation (for testing only) |
| Compress | Compressed output |
| DoNotAddH | Don't add H according to usual valences: all H are explicit |
| Key | Exports the InChIKey as well |
| NoWarnings | Do not display warnings |
Depricated from version 19.11, use NoWarnings instead |
See also