Flow object JSON
{
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{
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}
],
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{
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}
},
{
"@value": "(RS)-mecoprop",
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}
},
{
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}
},
{
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}
},
{
"@value": "2-(4-Chloro-2-tolyloxy)propionic acid",
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}
},
{
"@value": "4-Chloro-2-methylphenoxy-alpha-propionic acid",
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}
},
{
"@value": "O-(4-chloro-2-methylphenyl)lactic acid",
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},
{
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}
},
{
"@value": "racemic mecoprop",
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"C10H11ClO3"
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{
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{
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]
},
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{
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{
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