Export options

Export options can be specified in the format string. The format descriptor and the options are separated by a colon, the options by commas.

Codename

Explanation

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

Woff

Do not display warnings