RFAA / metal_sdf /MN_ideal.sdf
Simon Duerr
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MN
-OEChem-03222417103D
1 0 0 0 0 0 0 0 0999 V2000
0.0000 0.0000 0.0000 Mn 0 2 0 0 0 0 0 0 0 0 0 0
M CHG 1 1 2
M END
> <OPENEYE_ISO_SMILES>
[Mn+2]
> <OPENEYE_INCHI>
InChI=1S/Mn/q+2
> <OPENEYE_INCHIKEY>
WAEMQWOKJMHJLA-UHFFFAOYSA-N
> <FORMULA>
Mn+2
$$$$