RFAA / metal_sdf /CU_ideal.sdf
Simon Duerr
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CU
-OEChem-03222417093D
1 0 0 0 0 0 0 0 0999 V2000
0.0000 0.0000 0.0000 Cu 0 2 0 0 0 0 0 0 0 0 0 0
M CHG 1 1 2
M END
> <OPENEYE_ISO_SMILES>
[Cu+2]
> <OPENEYE_INCHI>
InChI=1S/Cu/q+2
> <OPENEYE_INCHIKEY>
JPVYNHNXODAKFH-UHFFFAOYSA-N
> <FORMULA>
Cu+2
$$$$