RFAA / metal_sdf /ZN_ideal.sdf
Simon Duerr
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ZN
-OEChem-03222417123D
1 0 0 0 0 0 0 0 0999 V2000
0.0000 0.0000 0.0000 Zn 0 2 0 0 0 0 0 0 0 0 0 0
M CHG 1 1 2
M END
> <OPENEYE_ISO_SMILES>
[Zn+2]
> <OPENEYE_INCHI>
InChI=1S/Zn/q+2
> <OPENEYE_INCHIKEY>
PTFCDOFLOPIGGS-UHFFFAOYSA-N
> <FORMULA>
Zn+2
$$$$