Flow object JSON
{
"flow_object_id": "fo-c31f998139f46eb9",
"prefLabel": [
{
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}
],
"altLabel": [
{
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},
{
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},
{
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}
},
{
"@value": "5-ethyl-5-(3-methylbutyl)pyrimidine-2,4,6(1H,3H,5H)-trione",
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},
{
"@value": "5-ethyl-5-isoamylbarbituric acid",
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},
{
"@value": "5-ethyl-5-isopentylbarbituric acid",
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},
{
"@value": "5-Isoamyl-5-ethylbarbituric acid",
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},
{
"@value": "Amal",
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},
{
"@value": "Amasust",
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},
{
"@value": "Amital",
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},
{
"@value": "Amobarbitone",
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},
{
"@value": "Amospan",
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},
{
"@value": "Amybal",
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},
{
"@value": "Amylbarbitone",
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},
{
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},
{
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},
{
"@value": "amytal",
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},
{
"@value": "barbamil",
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},
{
"@value": "barbamyl",
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},
{
"@value": "Barbamyl acid",
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},
{
"@value": "Barbituric acid, 5-ethyl-5-isopentyl-",
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},
{
"@value": "Binoctal",
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},
{
"@value": "Dorlotyn",
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},
{
"@value": "Dormytal",
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},
{
"@value": "Ethylisopentylbarbituric acid",
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},
{
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},
{
"@value": "Isoamylethylbarbituric acid",
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{
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{
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{
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},
{
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{
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{
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{
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