{
"prov:activity": "dataset:InitialReadInOfRepositoryFile",
"dataset:activityinfo": {
"descr-filestaging": {
"dataset:purpose-filestaging": {
"dataset:purposekey-filestaging": "dataset:PurposeFileStaging",
"dataset:dataconcept-staging": "dataset:ConceptFileStaging"
},
"dataset:keyword-filestaging": [],
"dataset:title-staging": "Read in a Benson Meta atom set",
"dataset:abstract-staging": "Read in a Benson Meta atom set. The set of substructures",
"dcterms:created": "today"
},
"dataset:datasettransactionspecification": {
"dataset:catalogobjectmaintainer": "Administrator",
"dataset:datasetname": "Standard",
"dataset:datasetversion": "1.0",
"dataset:uniquegenericname": "metaAtomsForBensonAtoms"
},
"dataset:uploadsrc": "dataset:LocalFileSystem",
"dataset:filesourceformat": "dataset:JThermodynamicsMetaAtoms",
"dataset:fileidentifier": "src/test/java/resources/metaatoms/MetaAtomBensonAtom.txt",
"dataset:filemediatype": "dataset:FileTypeText",
"dcterms:title": "Benson Meta atom set",
"dataset:filesourcesubtype": "",
"dcterms:identifier": "initialrepositorylocal",
"dcterms:BibliographicResource": [
{
"datacite:PrimaryResourceIdentifier": "ISBN-13: 9780471067818",
"dataset:referencestring": "Benson, Sidney W. (1976). Thermochemical Kinetics: Methods for the Estimation of Thermochemical Data and Rate Parameters, 2nd Ed.",
"dataset:referencetitle": "Thermochemical Kinetics: Methods for the Estimation of Thermochemical Data and Rate Parameters",
"dc:creator": [
{
"dataset:authorfamilyname": "Benson",
"dataset:authorgivenname": "Sidney W.",
"dataset:authortitle": "dataset:Professor"
}
]
}
]
}
}
2 1 105.2 0.2 ch3(.)
l ch3(.)
2 2 100.9 1.0 c2h5(*)
l ch3/ch2(.)
2 3 100.9 1.0 n-c3h7(*)
l ch3/ch2/ch2(.)
2 4 98.5 1.0 i-c3h7(*)
l c(ch3)2h(.)
2 5 98.7 1.0 s-c4h9(*)
l ch(.)(ch3)/ch2/ch3
2 6 95.6 2.0 t-c4h9(*)
l c(.)(ch3)3
2 7 100.9 2.0 t-c5h11
l c(ch3)3/ch2(.)
2 8 106.3 0.3 cyclopropyl
l c(#1)h2/ch2/ch(.)/1
2 9 96.5 1.0 cyclobutyl
l c(#1)h2/ch2/ch2/ch(.)/1
2 10 94.5 1.0 cyclopentyl
l c(#1)h(.)/ch2/ch2/ch2/ch2/1
2 11 99.5 1.0 cyclohexyl(*)
l c(#1)h(.)/ch2/ch2/ch2/ch2/ch2/1
2 12 92.5 1.0 cycloheptyl
l c(#1)h(.)/ch2/ch2/ch2/ch2/ch2/ch2/1
2 15 100.2 1.6 cyclopropyl-methyl(.)
l c(#1)h/ch2/ch2/1,1/ch2(.)
2 20 100.9 0.0 n-c4h9
l ch2(.)/ch2/ch2/ch3
2 21 100.9 0.0 i-c4h9
l ch2(.)/ch(ch3)2