RFAA / metal_sdf /K_ideal.sdf
Simon Duerr
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K
-OEChem-03222417103D
1 0 0 0 0 0 0 0 0999 V2000
0.0000 0.0000 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0
M CHG 1 1 1
M END
> <OPENEYE_ISO_SMILES>
[K+]
> <OPENEYE_INCHI>
InChI=1S/K/q+1
> <OPENEYE_INCHIKEY>
NPYPAHLBTDXSSS-UHFFFAOYSA-N
> <FORMULA>
K+
$$$$