Chemaxon · JSON-LD Context

Chemaxon Context

JSON-LD context defining the semantic vocabulary for Chemaxon from Chemaxon.

120 Classes 276 Properties 4 Namespaces
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Namespaces

schema: https://schema.org/
xsd: http://www.w3.org/2001/XMLSchema#
dcterms: http://purl.org/dc/terms/
chemaxon: https://chemaxon.com/schema#

Classes

ActivityTrainingRecord AggregatedCalculationsRequest AggregatedCalculationsResult AtomDoubleEntry AtomIntEntry AtomNumberIsotopeCountTriplet AtomNumberIsotopePair AtomReference BBBProperty BBBResult BatchAggregatedCalculationsRequest BatchAggregatedCalculationsResult BondDescriptorResult CalculationsRequest CalculatorsStructureRequestCanonicalTautomerRequest CalculatorsStructureRequestChargeRequest CalculatorsStructureRequestChemTermRequest CalculatorsStructureRequestConformationRequest CalculatorsStructureRequestDominantTautomerRequest CalculatorsStructureRequestEmptyRequest CalculatorsStructureRequestHBDARequest CalculatorsStructureRequestHergActivityRequest CalculatorsStructureRequestHergClassRequest CalculatorsStructureRequestIsoelectricPointRequest CalculatorsStructureRequestLogDRequest CalculatorsStructureRequestLogPRequest CalculatorsStructureRequestMajorMicrospeciesRequest CalculatorsStructureRequestNmrRequest CalculatorsStructureRequestPartialElementalAnalysisRequest CalculatorsStructureRequestPkaDistributionRequest CalculatorsStructureRequestPkaRequest CalculatorsStructureRequestPolarSurfaceAreaRequest CalculatorsStructureRequestSolubilityRequest CalculatorsStructureRequestStereoisomerRequest CalculatorsStructureRequestTopologyAnalyserRequest CanonicalTautomerRequest CanonicalTautomerResult ChargeRequest ChargeResult ClassProbability ClassTrainingRecord CnsMpoResult ConformationRequest ConformerResult DistributionElement DominantTautomerRequest DominantTautomerResult ElementalAnalysisCalculatorsStructureRequest ElementalAnalysisRequest ElementalAnalysisResult ErrorDescriptor HBDARequest HBDAResult HLBResult HergActivityResult HergClassResult IsoelectricPointRequest IsoelectricPointResult LogDEntry LogDRequest LogDResult LogDValueDetails LogPRequest LogPResult MajorMicrospeciesRequest MajorMicrospeciesResult Multiplet NmrRequest NmrResult OptionalResultBBBResult OptionalResultCanonicalTautomerResult OptionalResultChargeResult OptionalResultCnsMpoResult OptionalResultDominantTautomerResult OptionalResultElementalAnalysisResult OptionalResultHBDAResult OptionalResultHLBResult OptionalResultIsoelectricPointResult OptionalResultListConformerResult OptionalResultLogDResult OptionalResultLogPResult OptionalResultMajorMicrospeciesResult OptionalResultNmrResult OptionalResultPkaDistributionResult OptionalResultPkaResult OptionalResultPolarSurfaceAreaResult OptionalResultSolubilityResult OptionalResultStereoisomerResult OptionalResultTopologyAnalyserResult PartialElementalAnalysisResult PhDoubleEntry PhSequence PkaDistributionRequest PkaDistributionResult PkaRequest PkaResult PolarSurfaceAreaRequest PolarSurfaceAreaResult Property SolubilityRequest SolubilityResult StereoisomerRequest StereoisomerResult StructureDistributionByPh TopologyAnalyserRequest TopologyAnalyserResult AdditionalData AdditionalDataChange AdditionalDataUpdateRequest AdvancedAutoRegisterRequest AdvancedRegisterRequest AmendBulkField AmendBulkRowWithStructure AmendStructureRequest AmendStructureResponse AmendmentData AmendmentIDResult AmendmentResponse AmendmentStatistics ApplySwitchersRequest

Properties

Property Type Container
pAct decimal
similarity decimal
structure string
calculations reference
inputFormat string
bbb reference
charge reference
cns-mpo reference
conformer reference
elemental-analysis reference
hbda reference
hlb reference
isoelectric-point reference
logd reference
logp reference
major-microspecies reference
nmr reference
pka reference
pka-distribution reference
polar-surface-area reference
solubility reference
stereoisomer reference
tautomerization-canonical reference
tautomerization-dominant reference
topology-analyser reference
atomId string
atomIndex integer
value decimal
atomNumber integer
count integer
isotopeNumber integer
isExplicitH boolean
multipliedScore decimal
name string
score decimal
properties list
structures list
results list
atomIndices list
bondIndex integer
normalTautomerGenerationMode boolean
resultMoleculeFormat string
ph decimal
chemterm string
conformerCount integer
diversity decimal
outputFormat string
timeLimit integer
excludeHalogens boolean
excludeSulfur boolean
outputStructureIncluded boolean
pH decimal
pHStep decimal
precision integer
detailedResult boolean
phList list
phSequence reference
atomIncrements boolean
method string
keepExplicitHydrogens boolean
takeMajorTautomericForm boolean
coupled boolean
frequency decimal
implicitHydrogenMode boolean
nucleus string
resolution decimal
unit string
ids list
indexes list
considerTautomerization boolean
pKaLowerLimit decimal
pKaUpperLimit decimal
temperature decimal
micro boolean
prefix string
types string
excludePhosphorus boolean
maxStereoisomerCount integer
outputIn3d boolean
protectDoubleBondStereo boolean
protectTetrahedralStereo boolean
type string
verify3d boolean
aliphaticRingSize integer
aromaticRingSize integer
aromatizationMethod string
carboRingSize integer
fusedAliphaticRingSize integer
fusedAromaticRingSize integer
heteroAliphaticRingSize integer
heteroAromaticRingSize integer
heteroRingSize integer
operations string
ringSize integer
ringSystemSize integer
formalCharge integer
formalChargeByAtom list
totalChargeByAtom list
hergClass string
probability decimal
energy decimal
P decimal
S string
structureDistribution list
countAtoms list
countIsotopes list
symbolID boolean
allAtomCount integer
atomCounts
composition string
dotDisconnectedFormalChargeFormula string
dotDisconnectedFormula string
dotDisconnectedIsotopeFormalChargeFormula string
dotDisconnectedIsotopeFormula string
exactMass decimal
formalChargeFormula string
formula string
groupedDotDisconnectedFormula string
heavyAtomCount integer
isotopeComposition string
isotopeCount list
isotopeDistribution list
isotopeFormalChargeFormula string
isotopeFormula string
mass decimal
message string
acceptorAtomCount integer
acceptorSiteCount integer
acceptorSiteCountsByAtomIndex list
donorAtomCount integer
donorSiteCount integer
donorSiteCountsByAtomIndex list
cxnHlbValue decimal
daviesHlbValue decimal
griffinHlbValue decimal
requiredHLBValue decimal
mostSimilars list
pActError decimal
hergClassError list
probabilities list
chargeDistribution list
isoelectricPoint decimal
details list
logDByPh list
coefficient decimal
microspecies string
percentage decimal
logP decimal
logPByAtom list
atomIndexes list
couplingConstants list
couplingNeeded boolean
domainMax decimal
domainMin decimal
intensity decimal
multiplicity string
shift decimal
shiftErrorClassification string
atomReferences list
multiplets list
xy list
error reference
structureDistributionsByPh list
acidicValuesByAtom list
basicValuesByAtom list
maxBasicValue decimal
minAcidicValue decimal
pkaValuesByAtom list
polarSurfaceArea decimal
intrinsicSolubility decimal
phDependentSolubilities list
molecules list
aliphaticAtomCount integer
aliphaticBondCount integer
aliphaticRingCount integer
aliphaticRings list
aromaticAtomCount integer
aromaticBondCount integer
aromaticRingCount integer
aromaticRings list
asymmmetricAtoms list
balabanIndex decimal
bondCount integer
carboAliphaticRingCount integer
carboAromaticRingCount integer
carboRingCount integer
carboRings list
chainAtomCount integer
chainBondCount integer
chiralCenterCount integer
chiralCenters list
coloredLargestConjugatedSystem string
cyclomaticNumber integer
distanceDegree list
eccentricity list
fragmentCount integer
fsp3 decimal
fusedAliphaticRingCount integer
fusedAliphaticRings list
fusedAromaticRingCount integer
fusedAromaticRings list
fusedRingCount integer
hararyIndex decimal
heteroAliphaticRingCount integer
heteroAliphaticRings list
heteroAromaticRingCount integer
heteroAromaticRings list
heteroRingCount integer
heteroRings list
hyperWienerIndex integer
isConnectedGraph boolean
largestConjugatedSystem list
largestConjugatedSystemSize integer
largestRing list
largestRingSize integer
largestRingSizeOfAtom list
largestRingSystem list
largestRingSystemSize integer
plattIndex integer
possibleCTBondCount integer
possibleCTBonds list
randicIndex decimal
ringAtomCount integer
ringBondCount integer
ringCount integer
ringCountOfAtom list
ringSystemCount integer
ringSystems list
rings list
rotatableBondCount integer
smallestRing list
smallestRingSize integer
smallestRingSizeOfAtom list
smallestRingSystem list
smallestRingSystemSize integer
stereoDoubleBondCount integer
stericEffect list
szegedIndex integer
wienerIndex integer
wienerPolarity integer
atomCount integer
radical integer
pHLower decimal
pHUpper decimal
percentages list
errorMessage string
id string
idType string
additionalData list
source string
lotId integer
lnbRef string
alternativeIdentifierTypeIds list
preRegistration boolean
drawnStructure reference
switchers
matchOptions reference
systemSwitcherWrapper reference
submissionId integer
checkers list
field string
uploadId integer
rowIndex integer
identifier string
status reference
fields list
data list
matchOption reference
amendmentId integer
affectedCompounds list
original string
result string
label string
tag string
amendmentStatus string
format string

JSON-LD Document

Raw ↑
{
  "@context": {
    "@vocab": "https://chemaxon.com/schema#",
    "schema": "https://schema.org/",
    "xsd": "http://www.w3.org/2001/XMLSchema#",
    "dcterms": "http://purl.org/dc/terms/",
    "chemaxon": "https://chemaxon.com/schema#",
    "ActivityTrainingRecord": "chemaxon:ActivityTrainingRecord",
    "pAct": {
      "@id": "chemaxon:pAct",
      "@type": "xsd:decimal"
    },
    "similarity": {
      "@id": "chemaxon:similarity",
      "@type": "xsd:decimal"
    },
    "structure": {
      "@id": "chemaxon:structure",
      "@type": "xsd:string"
    },
    "AggregatedCalculationsRequest": "chemaxon:AggregatedCalculationsRequest",
    "calculations": {
      "@id": "chemaxon:calculations",
      "@type": "@id"
    },
    "inputFormat": {
      "@id": "chemaxon:inputFormat",
      "@type": "xsd:string"
    },
    "AggregatedCalculationsResult": "chemaxon:AggregatedCalculationsResult",
    "bbb": {
      "@id": "chemaxon:bbb",
      "@type": "@id"
    },
    "charge": {
      "@id": "chemaxon:charge",
      "@type": "@id"
    },
    "cns-mpo": {
      "@id": "chemaxon:cns-mpo",
      "@type": "@id"
    },
    "conformer": {
      "@id": "chemaxon:conformer",
      "@type": "@id"
    },
    "elemental-analysis": {
      "@id": "chemaxon:elemental-analysis",
      "@type": "@id"
    },
    "hbda": {
      "@id": "chemaxon:hbda",
      "@type": "@id"
    },
    "hlb": {
      "@id": "chemaxon:hlb",
      "@type": "@id"
    },
    "isoelectric-point": {
      "@id": "chemaxon:isoelectric-point",
      "@type": "@id"
    },
    "logd": {
      "@id": "chemaxon:logd",
      "@type": "@id"
    },
    "logp": {
      "@id": "chemaxon:logp",
      "@type": "@id"
    },
    "major-microspecies": {
      "@id": "chemaxon:major-microspecies",
      "@type": "@id"
    },
    "nmr": {
      "@id": "chemaxon:nmr",
      "@type": "@id"
    },
    "pka": {
      "@id": "chemaxon:pka",
      "@type": "@id"
    },
    "pka-distribution": {
      "@id": "chemaxon:pka-distribution",
      "@type": "@id"
    },
    "polar-surface-area": {
      "@id": "chemaxon:polar-surface-area",
      "@type": "@id"
    },
    "solubility": {
      "@id": "chemaxon:solubility",
      "@type": "@id"
    },
    "stereoisomer": {
      "@id": "chemaxon:stereoisomer",
      "@type": "@id"
    },
    "tautomerization-canonical": {
      "@id": "chemaxon:tautomerization-canonical",
      "@type": "@id"
    },
    "tautomerization-dominant": {
      "@id": "chemaxon:tautomerization-dominant",
      "@type": "@id"
    },
    "topology-analyser": {
      "@id": "chemaxon:topology-analyser",
      "@type": "@id"
    },
    "AtomDoubleEntry": "chemaxon:AtomDoubleEntry",
    "atomId": {
      "@id": "chemaxon:atomId",
      "@type": "xsd:string"
    },
    "atomIndex": {
      "@id": "chemaxon:atomIndex",
      "@type": "xsd:integer"
    },
    "value": {
      "@id": "chemaxon:value",
      "@type": "xsd:decimal"
    },
    "AtomIntEntry": "chemaxon:AtomIntEntry",
    "AtomNumberIsotopeCountTriplet": "chemaxon:AtomNumberIsotopeCountTriplet",
    "atomNumber": {
      "@id": "chemaxon:atomNumber",
      "@type": "xsd:integer"
    },
    "count": {
      "@id": "chemaxon:count",
      "@type": "xsd:integer"
    },
    "isotopeNumber": {
      "@id": "chemaxon:isotopeNumber",
      "@type": "xsd:integer"
    },
    "AtomNumberIsotopePair": "chemaxon:AtomNumberIsotopePair",
    "AtomReference": "chemaxon:AtomReference",
    "isExplicitH": {
      "@id": "chemaxon:isExplicitH",
      "@type": "xsd:boolean"
    },
    "BBBProperty": "chemaxon:BBBProperty",
    "multipliedScore": {
      "@id": "chemaxon:multipliedScore",
      "@type": "xsd:decimal"
    },
    "name": {
      "@id": "chemaxon:name",
      "@type": "xsd:string"
    },
    "score": {
      "@id": "chemaxon:score",
      "@type": "xsd:decimal"
    },
    "BBBResult": "chemaxon:BBBResult",
    "properties": {
      "@id": "chemaxon:properties",
      "@container": "@list"
    },
    "BatchAggregatedCalculationsRequest": "chemaxon:BatchAggregatedCalculationsRequest",
    "structures": {
      "@id": "chemaxon:structures",
      "@container": "@list"
    },
    "BatchAggregatedCalculationsResult": "chemaxon:BatchAggregatedCalculationsResult",
    "results": {
      "@id": "chemaxon:results",
      "@container": "@list"
    },
    "BondDescriptorResult": "chemaxon:BondDescriptorResult",
    "atomIndices": {
      "@id": "chemaxon:atomIndices",
      "@container": "@list"
    },
    "bondIndex": {
      "@id": "chemaxon:bondIndex",
      "@type": "xsd:integer"
    },
    "CalculationsRequest": "chemaxon:CalculationsRequest",
    "CalculatorsStructureRequestCanonicalTautomerRequest": "chemaxon:CalculatorsStructureRequestCanonicalTautomerRequest",
    "normalTautomerGenerationMode": {
      "@id": "chemaxon:normalTautomerGenerationMode",
      "@type": "xsd:boolean"
    },
    "resultMoleculeFormat": {
      "@id": "chemaxon:resultMoleculeFormat",
      "@type": "xsd:string"
    },
    "CalculatorsStructureRequestChargeRequest": "chemaxon:CalculatorsStructureRequestChargeRequest",
    "ph": {
      "@id": "chemaxon:ph",
      "@type": "xsd:decimal"
    },
    "CalculatorsStructureRequestChemTermRequest": "chemaxon:CalculatorsStructureRequestChemTermRequest",
    "chemterm": {
      "@id": "chemaxon:chemterm",
      "@type": "xsd:string"
    },
    "CalculatorsStructureRequestConformationRequest": "chemaxon:CalculatorsStructureRequestConformationRequest",
    "conformerCount": {
      "@id": "chemaxon:conformerCount",
      "@type": "xsd:integer"
    },
    "diversity": {
      "@id": "chemaxon:diversity",
      "@type": "xsd:decimal"
    },
    "outputFormat": {
      "@id": "chemaxon:outputFormat",
      "@type": "xsd:string"
    },
    "timeLimit": {
      "@id": "chemaxon:timeLimit",
      "@type": "xsd:integer"
    },
    "CalculatorsStructureRequestDominantTautomerRequest": "chemaxon:CalculatorsStructureRequestDominantTautomerRequest",
    "CalculatorsStructureRequestEmptyRequest": "chemaxon:CalculatorsStructureRequestEmptyRequest",
    "CalculatorsStructureRequestHBDARequest": "chemaxon:CalculatorsStructureRequestHBDARequest",
    "excludeHalogens": {
      "@id": "chemaxon:excludeHalogens",
      "@type": "xsd:boolean"
    },
    "excludeSulfur": {
      "@id": "chemaxon:excludeSulfur",
      "@type": "xsd:boolean"
    },
    "outputStructureIncluded": {
      "@id": "chemaxon:outputStructureIncluded",
      "@type": "xsd:boolean"
    },
    "pH": {
      "@id": "chemaxon:pH",
      "@type": "xsd:decimal"
    },
    "CalculatorsStructureRequestHergActivityRequest": "chemaxon:CalculatorsStructureRequestHergActivityRequest",
    "CalculatorsStructureRequestHergClassRequest": "chemaxon:CalculatorsStructureRequestHergClassRequest",
    "CalculatorsStructureRequestIsoelectricPointRequest": "chemaxon:CalculatorsStructureRequestIsoelectricPointRequest",
    "pHStep": {
      "@id": "chemaxon:pHStep",
      "@type": "xsd:decimal"
    },
    "precision": {
      "@id": "chemaxon:precision",
      "@type": "xsd:integer"
    },
    "CalculatorsStructureRequestLogDRequest": "chemaxon:CalculatorsStructureRequestLogDRequest",
    "detailedResult": {
      "@id": "chemaxon:detailedResult",
      "@type": "xsd:boolean"
    },
    "phList": {
      "@id": "chemaxon:phList",
      "@container": "@list"
    },
    "phSequence": {
      "@id": "chemaxon:phSequence",
      "@type": "@id"
    },
    "CalculatorsStructureRequestLogPRequest": "chemaxon:CalculatorsStructureRequestLogPRequest",
    "atomIncrements": {
      "@id": "chemaxon:atomIncrements",
      "@type": "xsd:boolean"
    },
    "method": {
      "@id": "chemaxon:method",
      "@type": "xsd:string"
    },
    "CalculatorsStructureRequestMajorMicrospeciesRequest": "chemaxon:CalculatorsStructureRequestMajorMicrospeciesRequest",
    "keepExplicitHydrogens": {
      "@id": "chemaxon:keepExplicitHydrogens",
      "@type": "xsd:boolean"
    },
    "takeMajorTautomericForm": {
      "@id": "chemaxon:takeMajorTautomericForm",
      "@type": "xsd:boolean"
    },
    "CalculatorsStructureRequestNmrRequest": "chemaxon:CalculatorsStructureRequestNmrRequest",
    "coupled": {
      "@id": "chemaxon:coupled",
      "@type": "xsd:boolean"
    },
    "frequency": {
      "@id": "chemaxon:frequency",
      "@type": "xsd:decimal"
    },
    "implicitHydrogenMode": {
      "@id": "chemaxon:implicitHydrogenMode",
      "@type": "xsd:boolean"
    },
    "nucleus": {
      "@id": "chemaxon:nucleus",
      "@type": "xsd:string"
    },
    "resolution": {
      "@id": "chemaxon:resolution",
      "@type": "xsd:decimal"
    },
    "unit": {
      "@id": "chemaxon:unit",
      "@type": "xsd:string"
    },
    "CalculatorsStructureRequestPartialElementalAnalysisRequest": "chemaxon:CalculatorsStructureRequestPartialElementalAnalysisRequest",
    "ids": {
      "@id": "chemaxon:ids",
      "@container": "@list"
    },
    "indexes": {
      "@id": "chemaxon:indexes",
      "@container": "@list"
    },
    "CalculatorsStructureRequestPkaDistributionRequest": "chemaxon:CalculatorsStructureRequestPkaDistributionRequest",
    "considerTautomerization": {
      "@id": "chemaxon:considerTautomerization",
      "@type": "xsd:boolean"
    },
    "pKaLowerLimit": {
      "@id": "chemaxon:pKaLowerLimit",
      "@type": "xsd:decimal"
    },
    "pKaUpperLimit": {
      "@id": "chemaxon:pKaUpperLimit",
      "@type": "xsd:decimal"
    },
    "temperature": {
      "@id": "chemaxon:temperature",
      "@type": "xsd:decimal"
    },
    "CalculatorsStructureRequestPkaRequest": "chemaxon:CalculatorsStructureRequestPkaRequest",
    "micro": {
      "@id": "chemaxon:micro",
      "@type": "xsd:boolean"
    },
    "prefix": {
      "@id": "chemaxon:prefix",
      "@type": "xsd:string"
    },
    "types": {
      "@id": "chemaxon:types",
      "@type": "xsd:string"
    },
    "CalculatorsStructureRequestPolarSurfaceAreaRequest": "chemaxon:CalculatorsStructureRequestPolarSurfaceAreaRequest",
    "excludePhosphorus": {
      "@id": "chemaxon:excludePhosphorus",
      "@type": "xsd:boolean"
    },
    "CalculatorsStructureRequestSolubilityRequest": "chemaxon:CalculatorsStructureRequestSolubilityRequest",
    "CalculatorsStructureRequestStereoisomerRequest": "chemaxon:CalculatorsStructureRequestStereoisomerRequest",
    "maxStereoisomerCount": {
      "@id": "chemaxon:maxStereoisomerCount",
      "@type": "xsd:integer"
    },
    "outputIn3d": {
      "@id": "chemaxon:outputIn3d",
      "@type": "xsd:boolean"
    },
    "protectDoubleBondStereo": {
      "@id": "chemaxon:protectDoubleBondStereo",
      "@type": "xsd:boolean"
    },
    "protectTetrahedralStereo": {
      "@id": "chemaxon:protectTetrahedralStereo",
      "@type": "xsd:boolean"
    },
    "type": {
      "@id": "chemaxon:type",
      "@type": "xsd:string"
    },
    "verify3d": {
      "@id": "chemaxon:verify3d",
      "@type": "xsd:boolean"
    },
    "CalculatorsStructureRequestTopologyAnalyserRequest": "chemaxon:CalculatorsStructureRequestTopologyAnalyserRequest",
    "aliphaticRingSize": {
      "@id": "chemaxon:aliphaticRingSize",
      "@type": "xsd:integer"
    },
    "aromaticRingSize": {
      "@id": "chemaxon:aromaticRingSize",
      "@type": "xsd:integer"
    },
    "aromatizationMethod": {
      "@id": "chemaxon:aromatizationMethod",
      "@type": "xsd:string"
    },
    "carboRingSize": {
      "@id": "chemaxon:carboRingSize",
      "@type": "xsd:integer"
    },
    "fusedAliphaticRingSize": {
      "@id": "chemaxon:fusedAliphaticRingSize",
      "@type": "xsd:integer"
    },
    "fusedAromaticRingSize": {
      "@id": "chemaxon:fusedAromaticRingSize",
      "@type": "xsd:integer"
    },
    "heteroAliphaticRingSize": {
      "@id": "chemaxon:heteroAliphaticRingSize",
      "@type": "xsd:integer"
    },
    "heteroAromaticRingSize": {
      "@id": "chemaxon:heteroAromaticRingSize",
      "@type": "xsd:integer"
    },
    "heteroRingSize": {
      "@id": "chemaxon:heteroRingSize",
      "@type": "xsd:integer"
    },
    "operations": {
      "@id": "chemaxon:operations",
      "@type": "xsd:string"
    },
    "ringSize": {
      "@id": "chemaxon:ringSize",
      "@type": "xsd:integer"
    },
    "ringSystemSize": {
      "@id": "chemaxon:ringSystemSize",
      "@type": "xsd:integer"
    },
    "CanonicalTautomerRequest": "chemaxon:CanonicalTautomerRequest",
    "CanonicalTautomerResult": "chemaxon:CanonicalTautomerResult",
    "ChargeRequest": "chemaxon:ChargeRequest",
    "ChargeResult": "chemaxon:ChargeResult",
    "formalCharge": {
      "@id": "chemaxon:formalCharge",
      "@type": "xsd:integer"
    },
    "formalChargeByAtom": {
      "@id": "chemaxon:formalChargeByAtom",
      "@container": "@list"
    },
    "totalChargeByAtom": {
      "@id": "chemaxon:totalChargeByAtom",
      "@container": "@list"
    },
    "ClassProbability": "chemaxon:ClassProbability",
    "hergClass": {
      "@id": "chemaxon:hergClass",
      "@type": "xsd:string"
    },
    "probability": {
      "@id": "chemaxon:probability",
      "@type": "xsd:decimal"
    },
    "ClassTrainingRecord": "chemaxon:ClassTrainingRecord",
    "CnsMpoResult": "chemaxon:CnsMpoResult",
    "ConformationRequest": "chemaxon:ConformationRequest",
    "ConformerResult": "chemaxon:ConformerResult",
    "energy": {
      "@id": "chemaxon:energy",
      "@type": "xsd:decimal"
    },
    "DistributionElement": "chemaxon:DistributionElement",
    "P": {
      "@id": "chemaxon:P",
      "@type": "xsd:decimal"
    },
    "S": {
      "@id": "chemaxon:S",
      "@type": "xsd:string"
    },
    "DominantTautomerRequest": "chemaxon:DominantTautomerRequest",
    "DominantTautomerResult": "chemaxon:DominantTautomerResult",
    "structureDistribution": {
      "@id": "chemaxon:structureDistribution",
      "@container": "@list"
    },
    "ElementalAnalysisCalculatorsStructureRequest": "chemaxon:ElementalAnalysisCalculatorsStructureRequest",
    "countAtoms": {
      "@id": "chemaxon:countAtoms",
      "@container": "@list"
    },
    "countIsotopes": {
      "@id": "chemaxon:countIsotopes",
      "@container": "@list"
    },
    "symbolID": {
      "@id": "chemaxon:symbolID",
      "@type": "xsd:boolean"
    },
    "ElementalAnalysisRequest": "chemaxon:ElementalAnalysisRequest",
    "ElementalAnalysisResult": "chemaxon:ElementalAnalysisResult",
    "allAtomCount": {
      "@id": "chemaxon:allAtomCount",
      "@type": "xsd:integer"
    },
    "atomCounts": {
      "@id": "chemaxon:atomCounts"
    },
    "composition": {
      "@id": "chemaxon:composition",
      "@type": "xsd:string"
    },
    "dotDisconnectedFormalChargeFormula": {
      "@id": "chemaxon:dotDisconnectedFormalChargeFormula",
      "@type": "xsd:string"
    },
    "dotDisconnectedFormula": {
      "@id": "chemaxon:dotDisconnectedFormula",
      "@type": "xsd:string"
    },
    "dotDisconnectedIsotopeFormalChargeFormula": {
      "@id": "chemaxon:dotDisconnectedIsotopeFormalChargeFormula",
      "@type": "xsd:string"
    },
    "dotDisconnectedIsotopeFormula": {
      "@id": "chemaxon:dotDisconnectedIsotopeFormula",
      "@type": "xsd:string"
    },
    "exactMass": {
      "@id": "chemaxon:exactMass",
      "@type": "xsd:decimal"
    },
    "formalChargeFormula": {
      "@id": "chemaxon:formalChargeFormula",
      "@type": "xsd:string"
    },
    "formula": {
      "@id": "chemaxon:formula",
      "@type": "xsd:string"
    },
    "groupedDotDisconnectedFormula": {
      "@id": "chemaxon:groupedDotDisconnectedFormula",
      "@type": "xsd:string"
    },
    "heavyAtomCount": {
      "@id": "chemaxon:heavyAtomCount",
      "@type": "xsd:integer"
    },
    "isotopeComposition": {
      "@id": "chemaxon:isotopeComposition",
      "@type": "xsd:string"
    },
    "isotopeCount": {
      "@id": "chemaxon:isotopeCount",
      "@container": "@list"
    },
    "isotopeDistribution": {
      "@id": "chemaxon:isotopeDistribution",
      "@container": "@list"
    },
    "isotopeFormalChargeFormula": {
      "@id": "chemaxon:isotopeFormalChargeFormula",
      "@type": "xsd:string"
    },
    "isotopeFormula": {
      "@id": "chemaxon:isotopeFormula",
      "@type": "xsd:string"
    },
    "mass": {
      "@id": "chemaxon:mass",
      "@type": "xsd:decimal"
    },
    "ErrorDescriptor": "chemaxon:ErrorDescriptor",
    "message": {
      "@id": "chemaxon:message",
      "@type": "xsd:string"
    },
    "HBDARequest": "chemaxon:HBDARequest",
    "HBDAResult": "chemaxon:HBDAResult",
    "acceptorAtomCount": {
      "@id": "chemaxon:acceptorAtomCount",
      "@type": "xsd:integer"
    },
    "acceptorSiteCount": {
      "@id": "chemaxon:acceptorSiteCount",
      "@type": "xsd:integer"
    },
    "acceptorSiteCountsByAtomIndex": {
      "@id": "chemaxon:acceptorSiteCountsByAtomIndex",
      "@container": "@list"
    },
    "donorAtomCount": {
      "@id": "chemaxon:donorAtomCount",
      "@type": "xsd:integer"
    },
    "donorSiteCount": {
      "@id": "chemaxon:donorSiteCount",
      "@type": "xsd:integer"
    },
    "donorSiteCountsByAtomIndex": {
      "@id": "chemaxon:donorSiteCountsByAtomIndex",
      "@container": "@list"
    },
    "HLBResult": "chemaxon:HLBResult",
    "cxnHlbValue": {
      "@id": "chemaxon:cxnHlbValue",
      "@type": "xsd:decimal"
    },
    "daviesHlbValue": {
      "@id": "chemaxon:daviesHlbValue",
      "@type": "xsd:decimal"
    },
    "griffinHlbValue": {
      "@id": "chemaxon:griffinHlbValue",
      "@type": "xsd:decimal"
    },
    "requiredHLBValue": {
      "@id": "chemaxon:requiredHLBValue",
      "@type": "xsd:decimal"
    },
    "HergActivityResult": "chemaxon:HergActivityResult",
    "mostSimilars": {
      "@id": "chemaxon:mostSimilars",
      "@container": "@list"
    },
    "pActError": {
      "@id": "chemaxon:pActError",
      "@type": "xsd:decimal"
    },
    "HergClassResult": "chemaxon:HergClassResult",
    "hergClassError": {
      "@id": "chemaxon:hergClassError",
      "@container": "@list"
    },
    "probabilities": {
      "@id": "chemaxon:probabilities",
      "@container": "@list"
    },
    "IsoelectricPointRequest": "chemaxon:IsoelectricPointRequest",
    "IsoelectricPointResult": "chemaxon:IsoelectricPointResult",
    "chargeDistribution": {
      "@id": "chemaxon:chargeDistribution",
      "@container": "@list"
    },
    "isoelectricPoint": {
      "@id": "chemaxon:isoelectricPoint",
      "@type": "xsd:decimal"
    },
    "LogDEntry": "chemaxon:LogDEntry",
    "details": {
      "@id": "chemaxon:details",
      "@container": "@list"
    },
    "LogDRequest": "chemaxon:LogDRequest",
    "LogDResult": "chemaxon:LogDResult",
    "logDByPh": {
      "@id": "chemaxon:logDByPh",
      "@container": "@list"
    },
    "LogDValueDetails": "chemaxon:LogDValueDetails",
    "coefficient": {
      "@id": "chemaxon:coefficient",
      "@type": "xsd:decimal"
    },
    "microspecies": {
      "@id": "chemaxon:microspecies",
      "@type": "xsd:string"
    },
    "percentage": {
      "@id": "chemaxon:percentage",
      "@type": "xsd:decimal"
    },
    "LogPRequest": "chemaxon:LogPRequest",
    "LogPResult": "chemaxon:LogPResult",
    "logP": {
      "@id": "chemaxon:logP",
      "@type": "xsd:decimal"
    },
    "logPByAtom": {
      "@id": "chemaxon:logPByAtom",
      "@container": "@list"
    },
    "MajorMicrospeciesRequest": "chemaxon:MajorMicrospeciesRequest",
    "MajorMicrospeciesResult": "chemaxon:MajorMicrospeciesResult",
    "Multiplet": "chemaxon:Multiplet",
    "atomIndexes": {
      "@id": "chemaxon:atomIndexes",
      "@container": "@list"
    },
    "couplingConstants": {
      "@id": "chemaxon:couplingConstants",
      "@container": "@list"
    },
    "couplingNeeded": {
      "@id": "chemaxon:couplingNeeded",
      "@type": "xsd:boolean"
    },
    "domainMax": {
      "@id": "chemaxon:domainMax",
      "@type": "xsd:decimal"
    },
    "domainMin": {
      "@id": "chemaxon:domainMin",
      "@type": "xsd:decimal"
    },
    "intensity": {
      "@id": "chemaxon:intensity",
      "@type": "xsd:decimal"
    },
    "multiplicity": {
      "@id": "chemaxon:multiplicity",
      "@type": "xsd:string"
    },
    "shift": {
      "@id": "chemaxon:shift",
      "@type": "xsd:decimal"
    },
    "shiftErrorClassification": {
      "@id": "chemaxon:shiftErrorClassification",
      "@type": "xsd:string"
    },
    "NmrRequest": "chemaxon:NmrRequest",
    "NmrResult": "chemaxon:NmrResult",
    "atomReferences": {
      "@id": "chemaxon:atomReferences",
      "@container": "@list"
    },
    "multiplets": {
      "@id": "chemaxon:multiplets",
      "@container": "@list"
    },
    "xy": {
      "@id": "chemaxon:xy",
      "@container": "@list"
    },
    "OptionalResultBBBResult": "chemaxon:OptionalResultBBBResult",
    "error": {
      "@id": "chemaxon:error",
      "@type": "@id"
    },
    "OptionalResultCanonicalTautomerResult": "chemaxon:OptionalResultCanonicalTautomerResult",
    "OptionalResultChargeResult": "chemaxon:OptionalResultChargeResult",
    "OptionalResultCnsMpoResult": "chemaxon:OptionalResultCnsMpoResult",
    "OptionalResultDominantTautomerResult": "chemaxon:OptionalResultDominantTautomerResult",
    "OptionalResultElementalAnalysisResult": "chemaxon:OptionalResultElementalAnalysisResult",
    "OptionalResultHBDAResult": "chemaxon:OptionalResultHBDAResult",
    "OptionalResultHLBResult": "chemaxon:OptionalResultHLBResult",
    "OptionalResultIsoelectricPointResult": "chemaxon:OptionalResultIsoelectricPointResult",
    "OptionalResultListConformerResult": "chemaxon:OptionalResultListConformerResult",
    "OptionalResultLogDResult": "chemaxon:OptionalResultLogDResult",
    "OptionalResultLogPResult": "chemaxon:OptionalResultLogPResult",
    "OptionalResultMajorMicrospeciesResult": "chemaxon:OptionalResultMajorMicrospeciesResult",
    "OptionalResultNmrResult": "chemaxon:OptionalResultNmrResult",
    "OptionalResultPkaDistributionResult": "chemaxon:OptionalResultPkaDistributionResult",
    "structureDistributionsByPh": {
      "@id": "chemaxon:structureDistributionsByPh",
      "@container": "@list"
    },
    "OptionalResultPkaResult": "chemaxon:OptionalResultPkaResult",
    "acidicValuesByAtom": {
      "@id": "chemaxon:acidicValuesByAtom",
      "@container": "@list"
    },
    "basicValuesByAtom": {
      "@id": "chemaxon:basicValuesByAtom",
      "@container": "@list"
    },
    "maxBasicValue": {
      "@id": "chemaxon:maxBasicValue",
      "@type": "xsd:decimal"
    },
    "minAcidicValue": {
      "@id": "chemaxon:minAcidicValue",
      "@type": "xsd:decimal"
    },
    "pkaValuesByAtom": {
      "@id": "chemaxon:pkaValuesByAtom",
      "@container": "@list"
    },
    "OptionalResultPolarSurfaceAreaResult": "chemaxon:OptionalResultPolarSurfaceAreaResult",
    "polarSurfaceArea": {
      "@id": "chemaxon:polarSurfaceArea",
      "@type": "xsd:decimal"
    },
    "OptionalResultSolubilityResult": "chemaxon:OptionalResultSolubilityResult",
    "intrinsicSolubility": {
      "@id": "chemaxon:intrinsicSolubility",
      "@type": "xsd:decimal"
    },
    "phDependentSolubilities": {
      "@id": "chemaxon:phDependentSolubilities",
      "@container": "@list"
    },
    "OptionalResultStereoisomerResult": "chemaxon:OptionalResultStereoisomerResult",
    "molecules": {
      "@id": "chemaxon:molecules",
      "@container": "@list"
    },
    "OptionalResultTopologyAnalyserResult": "chemaxon:OptionalResultTopologyAnalyserResult",
    "aliphaticAtomCount": {
      "@id": "chemaxon:aliphaticAtomCount",
      "@type": "xsd:integer"
    },
    "aliphaticBondCount": {
      "@id": "chemaxon:aliphaticBondCount",
      "@type": "xsd:integer"
    },
    "aliphaticRingCount": {
      "@id": "chemaxon:aliphaticRingCount",
      "@type": "xsd:integer"
    },
    "aliphaticRings": {
      "@id": "chemaxon:aliphaticRings",
      "@container": "@list"
    },
    "aromaticAtomCount": {
      "@id": "chemaxon:aromaticAtomCount",
      "@type": "xsd:integer"
    },
    "aromaticBondCount": {
      "@id": "chemaxon:aromaticBondCount",
      "@type": "xsd:integer"
    },
    "aromaticRingCount": {
      "@id": "chemaxon:aromaticRingCount",
      "@type": "xsd:integer"
    },
    "aromaticRings": {
      "@id": "chemaxon:aromaticRings",
      "@container": "@list"
    },
    "asymmmetricAtoms": {
      "@id": "chemaxon:asymmmetricAtoms",
      "@container": "@list"
    },
    "balabanIndex": {
      "@id": "chemaxon:balabanIndex",
      "@type": "xsd:decimal"
    },
    "bondCount": {
      "@id": "chemaxon:bondCount",
      "@type": "xsd:integer"
    },
    "carboAliphaticRingCount": {
      "@id": "chemaxon:carboAliphaticRingCount",
      "@type": "xsd:integer"
    },
    "carboAromaticRingCount": {
      "@id": "chemaxon:carboAromaticRingCount",
      "@type": "xsd:integer"
    },
    "carboRingCount": {
      "@id": "chemaxon:carboRingCount",
      "@type": "xsd:integer"
    },
    "carboRings": {
      "@id": "chemaxon:carboRings",
      "@container": "@list"
    },
    "chainAtomCount": {
      "@id": "chemaxon:chainAtomCount",
      "@type": "xsd:integer"
    },
    "chainBondCount": {
      "@id": "chemaxon:chainBondCount",
      "@type": "xsd:integer"
    },
    "chiralCenterCount": {
      "@id": "chemaxon:chiralCenterCount",
      "@type": "xsd:integer"
    },
    "chiralCenters": {
      "@id": "chemaxon:chiralCenters",
      "@container": "@list"
    },
    "coloredLargestConjugatedSystem": {
      "@id": "chemaxon:coloredLargestConjugatedSystem",
      "@type": "xsd:string"
    },
    "cyclomaticNumber": {
      "@id": "chemaxon:cyclomaticNumber",
      "@type": "xsd:integer"
    },
    "distanceDegree": {
      "@id": "chemaxon:distanceDegree",
      "@container": "@list"
    },
    "eccentricity": {
      "@id": "chemaxon:eccentricity",
      "@container": "@list"
    },
    "fragmentCount": {
      "@id": "chemaxon:fragmentCount",
      "@type": "xsd:integer"
    },
    "fsp3": {
      "@id": "chemaxon:fsp3",
      "@type": "xsd:decimal"
    },
    "fusedAliphaticRingCount": {
      "@id": "chemaxon:fusedAliphaticRingCount",
      "@type": "xsd:integer"
    },
    "fusedAliphaticRings": {
      "@id": "chemaxon:fusedAliphaticRings",
      "@container": "@list"
    },
    "fusedAromaticRingCount": {
      "@id": "chemaxon:fusedAromaticRingCount",
      "@type": "xsd:integer"
    },
    "fusedAromaticRings": {
      "@id": "chemaxon:fusedAromaticRings",
      "@container": "@list"
    },
    "fusedRingCount": {
      "@id": "chemaxon:fusedRingCount",
      "@type": "xsd:integer"
    },
    "hararyIndex": {
      "@id": "chemaxon:hararyIndex",
      "@type": "xsd:decimal"
    },
    "heteroAliphaticRingCount": {
      "@id": "chemaxon:heteroAliphaticRingCount",
      "@type": "xsd:integer"
    },
    "heteroAliphaticRings": {
      "@id": "chemaxon:heteroAliphaticRings",
      "@container": "@list"
    },
    "heteroAromaticRingCount": {
      "@id": "chemaxon:heteroAromaticRingCount",
      "@type": "xsd:integer"
    },
    "heteroAromaticRings": {
      "@id": "chemaxon:heteroAromaticRings",
      "@container": "@list"
    },
    "heteroRingCount": {
      "@id": "chemaxon:heteroRingCount",
      "@type": "xsd:integer"
    },
    "heteroRings": {
      "@id": "chemaxon:heteroRings",
      "@container": "@list"
    },
    "hyperWienerIndex": {
      "@id": "chemaxon:hyperWienerIndex",
      "@type": "xsd:integer"
    },
    "isConnectedGraph": {
      "@id": "chemaxon:isConnectedGraph",
      "@type": "xsd:boolean"
    },
    "largestConjugatedSystem": {
      "@id": "chemaxon:largestConjugatedSystem",
      "@container": "@list"
    },
    "largestConjugatedSystemSize": {
      "@id": "chemaxon:largestConjugatedSystemSize",
      "@type": "xsd:integer"
    },
    "largestRing": {
      "@id": "chemaxon:largestRing",
      "@container": "@list"
    },
    "largestRingSize": {
      "@id": "chemaxon:largestRingSize",
      "@type": "xsd:integer"
    },
    "largestRingSizeOfAtom": {
      "@id": "chemaxon:largestRingSizeOfAtom",
      "@container": "@list"
    },
    "largestRingSystem": {
      "@id": "chemaxon:largestRingSystem",
      "@container": "@list"
    },
    "largestRingSystemSize": {
      "@id": "chemaxon:largestRingSystemSize",
      "@type": "xsd:integer"
    },
    "plattIndex": {
      "@id": "chemaxon:plattIndex",
      "@type": "xsd:integer"
    },
    "possibleCTBondCount": {
      "@id": "chemaxon:possibleCTBondCount",
      "@type": "xsd:integer"
    },
    "possibleCTBonds": {
      "@id": "chemaxon:possibleCTBonds",
      "@container": "@list"
    },
    "randicIndex": {
      "@id": "chemaxon:randicIndex",
      "@type": "xsd:decimal"
    },
    "ringAtomCount": {
      "@id": "chemaxon:ringAtomCount",
      "@type": "xsd:integer"
    },
    "ringBondCount": {
      "@id": "chemaxon:ringBondCount",
      "@type": "xsd:integer"
    },
    "ringCount": {
      "@id": "chemaxon:ringCount",
      "@type": "xsd:integer"
    },
    "ringCountOfAtom": {
      "@id": "chemaxon:ringCountOfAtom",
      "@container": "@list"
    },
    "ringSystemCount": {
      "@id": "chemaxon:ringSystemCount",
      "@type": "xsd:integer"
    },
    "ringSystems": {
      "@id": "chemaxon:ringSystems",
      "@container": "@list"
    },
    "rings": {
      "@id": "chemaxon:rings",
      "@container": "@list"
    },
    "rotatableBondCount": {
      "@id": "chemaxon:rotatableBondCount",
      "@type": "xsd:integer"
    },
    "smallestRing": {
      "@id": "chemaxon:smallestRing",
      "@container": "@list"
    },
    "smallestRingSize": {
      "@id": "chemaxon:smallestRingSize",
      "@type": "xsd:integer"
    },
    "smallestRingSizeOfAtom": {
      "@id": "chemaxon:smallestRingSizeOfAtom",
      "@container": "@list"
    },
    "smallestRingSystem": {
      "@id": "chemaxon:smallestRingSystem",
      "@container": "@list"
    },
    "smallestRingSystemSize": {
      "@id": "chemaxon:smallestRingSystemSize",
      "@type": "xsd:integer"
    },
    "stereoDoubleBondCount": {
      "@id": "chemaxon:stereoDoubleBondCount",
      "@type": "xsd:integer"
    },
    "stericEffect": {
      "@id": "chemaxon:stericEffect",
      "@container": "@list"
    },
    "szegedIndex": {
      "@id": "chemaxon:szegedIndex",
      "@type": "xsd:integer"
    },
    "wienerIndex": {
      "@id": "chemaxon:wienerIndex",
      "@type": "xsd:integer"
    },
    "wienerPolarity": {
      "@id": "chemaxon:wienerPolarity",
      "@type": "xsd:integer"
    },
    "PartialElementalAnalysisResult": "chemaxon:PartialElementalAnalysisResult",
    "atomCount": {
      "@id": "chemaxon:atomCount",
      "@type": "xsd:integer"
    },
    "radical": {
      "@id": "chemaxon:radical",
      "@type": "xsd:integer"
    },
    "PhDoubleEntry": "chemaxon:PhDoubleEntry",
    "PhSequence": "chemaxon:PhSequence",
    "pHLower": {
      "@id": "chemaxon:pHLower",
      "@type": "xsd:decimal"
    },
    "pHUpper": {
      "@id": "chemaxon:pHUpper",
      "@type": "xsd:decimal"
    },
    "PkaDistributionRequest": "chemaxon:PkaDistributionRequest",
    "PkaDistributionResult": "chemaxon:PkaDistributionResult",
    "PkaRequest": "chemaxon:PkaRequest",
    "PkaResult": "chemaxon:PkaResult",
    "PolarSurfaceAreaRequest": "chemaxon:PolarSurfaceAreaRequest",
    "PolarSurfaceAreaResult": "chemaxon:PolarSurfaceAreaResult",
    "Property": "chemaxon:Property",
    "SolubilityRequest": "chemaxon:SolubilityRequest",
    "SolubilityResult": "chemaxon:SolubilityResult",
    "StereoisomerRequest": "chemaxon:StereoisomerRequest",
    "StereoisomerResult": "chemaxon:StereoisomerResult",
    "StructureDistributionByPh": "chemaxon:StructureDistributionByPh",
    "percentages": {
      "@id": "chemaxon:percentages",
      "@container": "@list"
    },
    "TopologyAnalyserRequest": "chemaxon:TopologyAnalyserRequest",
    "TopologyAnalyserResult": "chemaxon:TopologyAnalyserResult",
    "AdditionalData": "chemaxon:AdditionalData",
    "AdditionalDataChange": "chemaxon:AdditionalDataChange",
    "errorMessage": {
      "@id": "chemaxon:errorMessage",
      "@type": "xsd:string"
    },
    "AdditionalDataUpdateRequest": "chemaxon:AdditionalDataUpdateRequest",
    "id": {
      "@id": "chemaxon:id",
      "@type": "xsd:string"
    },
    "idType": {
      "@id": "chemaxon:idType",
      "@type": "xsd:string"
    },
    "additionalData": {
      "@id": "chemaxon:additionalData",
      "@container": "@list"
    },
    "AdvancedAutoRegisterRequest": "chemaxon:AdvancedAutoRegisterRequest",
    "source": {
      "@id": "chemaxon:source",
      "@type": "xsd:string"
    },
    "lotId": {
      "@id": "chemaxon:lotId",
      "@type": "xsd:integer"
    },
    "lnbRef": {
      "@id": "chemaxon:lnbRef",
      "@type": "xsd:string"
    },
    "alternativ

# --- truncated at 32 KB (35 KB total) ---
# Full source: https://artifacts.apis.io/chemaxon/json-ld/chemaxon-context.jsonld