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web service for predicting the spectral properties of BODIPYs
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Example *.xlsx file
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SMILES
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Solvent
1,1,1-trichloroethane
1,1,2,2-tetrachloroethene
1,2-dichlorobenzene
1,2-dichloroethane
1,2-dimethoxybenzene
1,2-dimethoxyethane
1,4-dioxane
1,4-dichlorobenzene
1-methylpyrrolidin-2-one
1-methylsulfinyl-2-propanone
2,2,2-trifluoroacetic acid
2,2,2-trifluoroethanol
2,2,4-trimethylpentane
2-methoxyethanol
2-methyl-2-propanol
2-methylbutan-2-ol
2-methylbutane
2-methyltetrahydrofuran
2-phenoxyethanol
3-methyl-1-butanol
3-methylbutan-1-ol
5,5-dimethyl-1,3-cyclohexadiene
acetic acid
acetone
acetonitrile
benzene
benzonitrile
bromobenzene
butan-1-ol
butan-2-one
butanenitrile
butyl acetate
carbon disulfide
chlorobenzene
chloroform
cyclohexane
cyclohexanone
cyclohexene
decan-1-ol
dibutyl ether
dichloromethane
diethyl ether
diethylamine
diisopropyl ether
dimethyl sulfoxide
ethanol
ethyl acetate
ethylene glycol
formamide
glycerol
heptane
hexan-1-ol
hexane
hydrochloric acid
isopropanol
methanol
methyl acetate
methyl formate
methylcyclohexane
N,N-dimethylacetamide
N,N-dimethylformamide
N-methylformamide
octan-1-ol
octane
pentan-1-ol
pentan-2-one
pentane
perchloric acid
pinacolone
propan-1-ol
propanenitrile
pyridine
tert-butyl methyl ether
tetrahydrofuran
toluene
triethhylamine
water
xylene
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