Check recent lanthanide ligands

[ghutchis]

Check to make sure we have all ligands in https://doi.org/10.1021/acs.jcim.3c01832
"Hybrid DFT Geometries and Properties for 17k Lanthanoid Complexes─The LnQM Data Set"

name	SMILES	frequency	charge (e)
Neutral Systems
acetonitrile	CC#N	252	0
ammonia	N	463	0
bipiperidine	N1CCCCC1-C2CCCCN2	205	0
carbon monoxide	[C–]#[O+]	252	0
diethylenetriamine	NCCNCCN	164	0
ethanol	CCO	225	0
ethylendiamin	NCCN	197	0
methanol	CO	272	0
pyridine	C1CCNCC1	242	0
pyrazine	C1CNCCN1	267	0
tetrahydrofuran	C1CCCO1	217	0
trimethylphosphine	CP(C)C	228	0
trimethylphosphine oxide	CP(═O)(C)C	245	0
trimethylphosphite	COP(OC)OC	216	0
water	O	240	0
Ionic Systems
azide	[N–]═[N+]═[N–]	196	–1
acetylacetonate	CC(═CC(═O)C)[O–]	177	–1
benzoate	C1═CC═C(C═C1)C(═O)[O–]	155	–1
bromide	[Br–]	179	–1
chloride	[Cl–]	182	–1
cyanide	[C–]#N	395	–1
ethanolate	CC[O–]	193	–1
fluoride	[F–]	202	–1
glycinate	C(C(═O)[O–])N	167	–1
hydroxide	[OH–]	174	–1
iodide	[I–]	186	–1
isothiocyanate	S═C═[N–]	187	–1
methanolate	C[O–]	204	–1
nitrate	N+([O–])[O–]	178	–1
nitrite	N(═O)[O–]	197	–1
thiocyanate	[S–]C#N	203