Flow object JSON
{
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{
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"altLabel": [
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},
{
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},
{
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},
{
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},
{
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},
{
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],
"properties": {
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{
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}
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},
"https://w3id.org/chemrof/inchi2d_key_string": {
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{
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"rdfs:label": "SMILES",
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{
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"rdfs:label": "InChI",
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},
"https://w3id.org/chemrof/IUPAC_name": {
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"attested_by": {
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},
"https://w3id.org/chemrof/molecular_mass": {
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"rdfs:label": "Molecular mass",
"@value": [
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{
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},
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},
"https://w3id.org/chemrof/monoisotopic_mass": {
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},
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}