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