name,smiles,formula,frequency,catalog_frequency,catalog_intensity,deviation,intensity,uncertainty,S,peak_id,experiment,uline,composition,v_qnos,r_qnos,fit,ustate_energy,lstate_energy,interference,weighting,source,public,velocity,discharge,magnet,multiple,final
"5-ethylenecyclopenta-1,3-diene",,c6h6,17262.935910405096,17263.0165,-2.905,0.08058959490517736,11.251238455872516,0.0008,0.0,0,4001,False,[],[],"N'=3, J'=3 - N''=2, J''=2",{},1.3221322479213269,0.7463,False,0.0,Catalog,True,0.0,False,False,"[2-phenylacetonitrile, 17,262.8094]",True
Artifact,,,17265.62639715636,17265.625,0.0,-0.0013971563603263348,164.33976778015318,0.0,0.0,0,4001,False,[],[],,{},0.0,0.0,False,0.0,Artifact,False,0.0,False,False,[],True
"cyclopropa-1,2-diene,1v5+1v6",,c3h2,17273.340233509844,17273.3365,0.0,-0.0037335098422772717,28.47978367764905,0.002,0.0,0,4001,False,[],[],"1,1,0,1,0,1",{},0.0,0.0,False,0.0,Line file,True,0.0,False,False,[],True
"propa-1,2-dien-1-one",,c3h2o,17290.183472296543,17290.1811,-0.7549,-0.002372296541579999,8.552711660551433,0.0013,0.0,0,4001,False,[],[],"N'=2, J'=2 - N''=1, J''=1",{},0.865138361443369,0.2884,False,0.0,Catalog,True,0.0,False,False,[],True
"(2Z)-hexa-1,3-dien-5-yne (anti)",,c6h6,17312.35430048105,17312.3499,-2.8102,-0.004400481047923677,15.784448610444791,0.0006,0.0,0,4001,False,[],[],"N'=5, J'=5 - N''=4, J''=4",{},1.994477833014732,1.417,False,0.0,Catalog,True,0.0,False,False,[],True
benzenol,,c6h6o,17365.16,17365.1532,-2.4154,-0.006799999999202555,7.03,0.0018,0.0,0,4001,False,[],[],"N'=4, J'=4 - N''=1     3, J''=3",{},1.4379391615135295,0.8587,False,0.0,Catalog,True,0.0,False,False,[],True
2-propenal (anti),,c3h4o,17387.57927907962,17387.597,-1.2045,0.017720920382998884,7.558781010084911,0.0007,0.0,0,4001,False,[],[],"N'=2, J'=2 - N''=1, J''=1",{},2.3010878060975104,1.7211,False,0.0,Catalog,True,0.0,False,False,"[(E)-pent-2-en-4-ynenitrile, 17,387.7461]",True
"cyclopropa-1,2-diene,1v6",,c3h2,17435.768435229093,17435.7694,0.0,0.0009647709084674716,430.6819800404972,0.002,0.0,0,4001,False,[],[],"1,1,0,1,0,1",{},0.0,0.0,False,0.0,Line file,True,0.0,False,False,"[pyran-2-one, 17,435.6804]",False
2-phenylacetonitrile,,c8h7n,17500.890889774364,17500.6455,-4.5178,-0.2453897743653215,6.0040905562433515,0.059,0.0,0,4001,False,[],[],"N'=11, J'=10 - N''=11    11, J''=11",{},4.635258698159111,4.0515,False,0.0,Catalog,True,0.0,False,False,[],True
"cyclohexa-2,5-dien-1-one",,c6h6o,17702.65269882748,17702.7112,-1.2013,0.05850117251975462,11.143444468675414,0.0005,0.0,0,4001,False,[],[],"N'=4, J'=3 - N''=3, J''=2",{},1.8826988843982193,1.2922,False,0.0,Catalog,True,0.0,False,False,"[(2Z)-penta-2,4-dienenitrile (syn), 17,702.4383]",True
"cyclopenta-2,4-dien-1-one",,c5h4o,17716.171372367815,17716.1058,-1.1358,-0.06557236781372922,11.786720016691376,0.0007,0.0,0,4001,False,[],[],"N'=3, J'=3 - N''=2, J''=2",{},1.3486456801611735,0.7577,False,0.0,Catalog,True,0.0,False,False,[],True
but-1-en-3-yne,,c4h4,17734.556477273836,17734.524,-2.9686,-0.03247727383495658,16.952336418008567,0.0012,0.0,0,4001,False,[],[],"N'=2, J'=2 - N''=1, J''=1",{},2.4137600451829915,1.8222,False,0.0,Catalog,True,0.0,False,False,[],True
Artifact,,,17773.35087266847,17773.4375,0.0,0.08662733152959845,7.305555869353053,0.0,0.0,0,4001,False,[],[],,{},0.0,0.0,False,0.0,Artifact,False,0.0,False,False,[],True
butatrienylidene,,c4h2,17788.569822340218,17788.5645,-2.647,-0.005322340217389865,23.26876056448858,0.0,0.0,0,4001,False,[],[],"N'=2, J'=2 - N''=1, J''=1",{},10.229862642231646,9.6365,False,0.0,Catalog,True,0.0,False,False,[],True
"cyclohexa-2,4-dien-1-one",,c6h6o,17795.419628698903,17795.4169,-1.3271,-0.002728698902501492,23.826074198047596,0.0006,0.0,0,4001,False,[],[],"N'=4, J'=3 - N''=3, J''=2",{},1.8814912136922404,1.2879,False,0.0,Catalog,True,0.0,False,False,[],True
2-propenal (anti),,c3h4o,17801.31095029899,17801.3089,-0.6162,-0.002050298990070587,42.923699150714576,0.0007,0.0,0,4001,False,[],[],"N'=2, J'=2 - N''=1, J''=1",{},0.890687749657131,0.2969,False,0.0,Catalog,True,0.0,False,False,[],True
"ethynylbenzene,v23",,c8h6,17815.44983590815,17815.4503,-2.8976,0.00046409184869844466,12.015567168682061,0.0007,0.0,0,4001,False,[],[],"N'=7, J'=7 - N''=6, J''=6",{},2.5323594559867146,1.9381,False,0.0,Catalog,True,0.0,False,False,[],True
butatrienylidene,,c4h2,17863.812253268454,17863.8178,-0.0783,0.0055467315469286405,48.19494969659753,0.0,0.0,0,4001,False,[],[],"N'=2, J'=2 - N''=1, J''=1",{},0.8937728221241643,0.2979,False,0.0,Catalog,True,0.0,False,False,[],True
butatrienylidene,,c4h2,17937.96234867945,17937.949,-2.6412,-0.013348679451155476,53.53337045389654,0.0,0.0,0,4001,False,[],[],"N'=2, J'=1 - N''=1, J''=0",{},10.23734557278956,9.639,False,0.0,Catalog,True,0.0,False,False,[],True
"5-ethenylidenecyclopenta-1,3-diene",,c7h6,17961.395371132236,17961.4702,-2.6604,0.07482886776415398,11.777516565860019,0.0008,0.0,0,4001,False,[],[],"N'=5, J'=4 - N''=4, J''=3",{},2.0158301555691573,1.4167,False,0.0,Catalog,True,0.0,False,False,[],True
"(E)-but-2-enenitrile, A state",,c4h5n,17966.820622699648,17966.8286,-0.8197,0.007977300352649763,8.625211485450912,0.0007,0.0,0,4001,False,[],[],"N'=4, J'=4 - N''=5     3, J''=3",{},1.498308892553928,0.899,False,0.0,Catalog,True,0.0,False,False,"[(E)-but-2-enenitrile, E state, 17,966.7333, 3-phenylprop-2-ynenitrile, 17,966.7090]",False
"(2Z)-hexa-1,3-dien-5-yne (anti)",,c6h6,17994.447419484615,17994.4538,-2.6984,0.006380515384080354,24.107856760454375,0.0007,0.0,0,4001,False,[],[],"N'=5, J'=5 - N''=4, J''=4",{},1.8099303700381948,1.2097,False,0.0,Catalog,True,0.0,False,False,[],True
"(4Z)-hepta-1,2,4-trien-6-yne (anti)",,c7h6,18000.141019256735,18000.0109,-2.9363,-0.13011925673345104,6.668721443531879,0.0011,0.0,0,4001,False,[],[],"N'=8, J'=6 - N''=7, J''=5",{},3.7406157349415374,3.1402,False,0.0,Catalog,True,0.0,False,False,[],True
"prop-2-ynenitrile, 1v2",,c3hn,18111.85340334932,18112.0796,-4.8775,0.2261966506812314,6.002719886785471,0.0001,0.0,0,4001,False,[],[],"N'=2.0, J'=nan - N''=1.0, J''=nan",{},0.9061539443930908,0.302,False,0.0,Catalog,True,0.0,False,False,"[super3, 18,111.6606]",False
"penta-1,2-dien-1-one-3-yl radical",,c3ho,18128.987178720115,18128.9366,-1.0426,-0.050578720114572207,20.78352101858975,0.0,0.0,0,4001,False,[],[],"N'=2, J'=3 - N''=1, J''=2",{},0.9069162333883662,0.3022,False,0.0,Catalog,True,0.0,False,False,[],True
benzaldehyde,,c7h6o,18129.6,18129.6188,-3.9296,0.018800000001647277,8.95,0.0063,0.0,0,4001,False,[],[],"N'=10, J'=9 - N''=10, J''=10",{},5.411438989130941,4.8067,False,0.0,Catalog,True,0.0,False,False,"[penta-1,2-dien-1-one-3-yl radical, 18,129.5868]",False
"cyclopenta-2,4-diene-1-carbonitrile",,c6h5n,18136.61282713279,18136.5681,-2.9662,-0.044727132790285395,7.387388468667475,0.0013,0.0,0,4001,False,[],[],"N'=5, J'=4 - N''=4     4, J''=3",{},2.038370792827617,1.4334,False,0.0,Catalog,True,0.0,False,False,"[cyanopenta-2,4-diyne-2,2-diyl, 18,136.4805, penta-1,2-dien-1-one-3-yl radical, 18,136.3988]",True
but-1-en-3-yne,,c4h4,18146.544652386685,18146.5471,-2.351,0.0024476133148709778,121.80285051227168,0.0032,0.0,0,4001,False,[],[],"N'=2, J'=2 - N''=1, J''=1",{},0.908003656438215,0.3027,False,0.0,Catalog,True,0.0,False,False,"[penta-1,2-dien-1-one-3-yl radical, 18,146.5949, cyclopropa_1_yne_3_yl_radical, 18,146.7148]",False
prop-2-ynenitrile,,c3hn,18196.280299913225,18196.3109,-0.5618,0.030600086774938973,21.245581223842546,0.0,0.0,0,4001,False,[],[],"N'=2.0, J'=nan - N''=1.0, J''=nan",{},0.9104635981302771,0.3035,False,0.0,Catalog,True,0.0,False,False,[],True
"cyclopropa-1,2-diene,1v3",,c3h2,18241.717402699815,18241.7207,0.0,0.0032973001871141605,118.41035553648481,0.002,0.0,0,4001,False,[],[],"1,1,0,1,0,1",{},0.0,0.0,False,0.0,Line file,True,0.0,False,False,[],True
"hepta-1,2,3,4,5-pentaene-6-yne",,c7h4,18255.623542471698,18255.8441,-2.3734,0.22055752830056008,6.826531186421562,0.0028,0.0,0,4001,False,[],[],"N'=10, J'=10 - N''=9, J''=9",{},3.350449411929502,2.7415,False,0.0,Catalog,True,0.0,False,False,"[benzaldehyde, 18,255.4059, buta-1,2,3-trien-1-one-4-yl, 18,255.3961]",False
"cyclopropa-1,2-diene,1v2",,c3h2,18260.970877085885,18260.981,0.0,0.010122914114617743,25.954853933745444,0.002,0.0,0,4001,False,[],[],"1,1,0,1,0,1",{},0.0,0.0,False,0.0,Line file,True,0.0,False,False,[],True
ethynylbenzene,,c8h6,18265.465783279727,18265.4256,-2.8535,-0.040183279728807975,9.74354985843666,0.001,0.0,0,4001,False,[],[],"N'=7, J'=7 - N''=6, J''=6",{},2.484669016367316,1.8754,False,0.0,Catalog,True,0.0,False,False,[],True
Artifact,,,18281.250509258753,18281.25,0.0,-0.0005092587525723502,269.8857178047887,0.0,0.0,0,4001,False,[],[],,{},0.0,0.0,False,0.0,Artifact,False,0.0,False,False,[],True
pentatetraenylidene,,c5h2,18324.009604878953,18324.0008,-2.9344,-0.00880487895119586,7.954974553022038,0.0044,0.0,0,4001,False,[],[],"N'=4, J'=4 - N''=3, J''=3",{},10.711222874726221,10.1,False,0.0,Catalog,True,0.0,False,False,[],True
prop-2-ynal,,c3h2o,18325.53775780662,18325.5413,-1.7907,0.0035421933789621107,7.125620318389565,0.001,0.0,0,4001,False,[],[],"N'=2, J'=2 - N''=1, J''=1",{},3.0304742602750867,2.4192,False,0.0,Catalog,True,0.0,False,False,[],True
"cyclopropa-1,2-diene,gs",,c3h2,18343.149013783182,18343.1445,-0.2719,-0.004513783183938358,1375.586963390539,0.0008,0.0,0,4001,False,[],[],"N'=1, J'=0 - N''=1, J''=1",{},2.2450614398231457,1.6332,False,0.0,Catalog,True,0.0,False,False,[],True
"5-ethylenecyclopenta-1,3-diene",,c6h6,18373.873195943357,18373.9618,-2.7792,0.08860405664381688,6.667466569304159,0.0007,0.0,0,4001,False,[],[],"N'=3, J'=3 - N''=2, J''=2",{},1.2459893943022409,0.6331,False,0.0,Catalog,True,0.0,False,False,"[pent-1-en-4-yn-3-one (anti), 18,373.8976, (4Z)-hepta-1,2,4-trien-6-yne (anti), 18,373.6663]",False
methylcyanide,,c2h3n,18396.734001780722,18396.727,-0.5586,-0.007001780722930562,28.03806166545494,0.0008,0.0,0,4001,False,[],[],"N'=1, J'=1 - N''=1     0, J''=0",{},0.6136487596362413,-0.0,False,0.0,Catalog,True,0.0,False,False,[],True
methylcyanide,,c2h3n,18398.002921165342,18397.9938,-0.3368,-0.009121165341639426,40.46807059228355,0.0006,0.0,0,4001,False,[],[],"N'=1, J'=1 - N''=2     0, J''=0",{},0.6136910155358212,-0.0,False,0.0,Catalog,True,0.0,False,False,[],True
pentatetraenylidene,,c5h2,18399.9066663167,18399.9172,-2.9324,0.010533683300309349,15.430070653350246,0.0044,0.0,0,4001,False,[],[],"N'=4, J'=3 - N''=3, J''=2",{},10.717555173253892,10.1038,False,0.0,Catalog,True,0.0,False,False,"[methylcyanide, 18,399.8940]",False
"cyclopropa-1,2-diene (H13CCCH)",,c3h2,18413.836060947433,18413.8,0.0,-0.03606094743372523,24.630328848854234,0.002,0.0,0,4001,False,[],[],"1,1,0,1,0,1,1,0,1,2,0,2",{},0.0,0.0,False,0.0,Line file,True,0.0,False,False,"[pent-4-en-2-ynal (syn), 18,413.6547]",True
"cyclohexa-2,4-dien-1-one",,c6h6o,18469.86863511254,18469.892,-1.6818,0.023364887460047612,9.923592012758581,0.0014,0.0,0,4001,False,[],[],"N'=4, J'=1 - N''=3, J''=0",{},2.395689281338759,1.7796,False,0.0,Catalog,True,0.0,False,False,[],True
"cyanoacetyl-cycloprop-1-ene-2,2-diyl",,c6hn,18543.847151797414,18543.9179,-4.9901,0.07074820258640102,6.481945810298987,0.0142,0.0,0,4001,False,[],[],"N'=9, J'=8 - N''=9     8, J''=7",{},7.460758519574232,6.8422,False,0.0,Catalog,True,0.0,False,False,[],True
but-1-en-3-yne,,c4h4,18564.865745581097,18564.8878,-2.9372,0.022054418903280748,18.370535665728855,0.0012,0.0,0,4001,False,[],[],"N'=2, J'=1 - N''=1, J''=0",{},2.4552580001462214,1.836,False,0.0,Catalog,True,0.0,False,False,[],True
prop-2-ynal,,c3h2o,18650.31258482995,18650.3089,-0.9935,-0.0036848299496341497,300.04660545097016,0.0008,0.0,0,4001,False,[],[],"N'=2, J'=2 - N''=1, J''=1",{},0.9332073413394542,0.3111,False,0.0,Catalog,True,0.0,False,False,[],True
Artifact,,,18789.07,18789.0625,0.0,-0.007499999999708962,15.54,0.0,0.0,0,4001,False,[],[],,{},0.0,0.0,False,0.0,Artifact,False,0.0,False,False,[],True
"hex-1-ene-3,5-diyne",,c6h4,18790.000654548032,18790.001,-2.2797,0.0003454519683145918,30.998083779295186,0.0009,0.0,0,4001,False,[],[],"N'=7, J'=7 - N''=6, J''=6",{},2.5071669682337374,1.8804,False,0.0,Catalog,True,0.0,False,False,[],True
benzenol,,c6h6o,18797.18223224839,18797.3136,-2.6797,0.13136775161183323,7.1149488679445465,0.0019,0.0,0,4001,False,[],[],"N'=2, J'=1 - N''=1     1, J''=0",{},0.902810890313992,0.2758,False,0.0,Catalog,True,0.0,False,False,[],True
"cyclopenta-2,4-dien-1-one",,c5h4o,18838.267677243253,18838.3573,-1.0147,0.08962275674639386,13.900398061790701,0.0007,0.0,0,4001,False,[],[],"N'=3, J'=3 - N''=2, J''=2",{},1.2799799607794,0.6516,False,0.0,Catalog,True,0.0,False,False,[],True
"cyclopenta-1,3-diene-1-carbonitrile",,c6h5n,19015.02482571591,19015.1229,-4.2668,0.0980742840874882,11.164483348432602,0.1319,0.0,0,4001,False,[],[],"N'=2, J'=0 - N''=2     2, J''=1",{},1.214776226522016,0.5805,False,0.0,Catalog,True,0.0,False,False,"[buta-1,3-diynyl radical, 19,015.1960]",True
"(2Z)-hexa-1,3-dien-5-yne (anti)",,c6h6,19023.79,19023.7638,-2.7724,-0.026200000000244472,9.15,0.0008,0.0,0,4001,False,[],[],"N'=5, J'=4 - N''=4, J''=3",{},2.165964455921036,1.5314,False,0.0,Catalog,True,0.0,False,False,"[(2E)-penta-2,4-dienenitrile (anti), 19,023.6753, (2Z)-penta-2,4-dienenitrile (anti), 19,023.6753]",True
"cyclohexa-2,5-dien-1-one",,c6h6o,19150.516585649555,19150.5198,-0.9817,0.0032143504431587644,32.455457116467464,0.0008,0.0,0,4001,False,[],[],"N'=4, J'=3 - N''=3, J''=2",{},1.7159925809661294,1.0772,False,0.0,Catalog,True,0.0,False,False,"[4-ethenylidene-cyclopent-2-en-1-one, 19,150.3675, 4-methylidenecyclopent-2-en-1-one, 19,150.3675]",True
"3-oxo-1,2-propadienylidene",,c3o,19243.51869762565,19243.5206,-0.5251,0.0019023743516299874,34.40110317448206,0.0,0.0,0,4001,False,[],[],"N'=2, J'=2 - N''=1, J''=1",{},0.9627947537366,0.3209,False,0.0,Catalog,True,0.0,False,False,[],True
"cyclohexa-2,4-dien-1-one",,c6h6o,19252.261828503048,19252.2588,-1.1107,-0.0030285030479717534,85.78929181666646,0.0008,0.0,0,4001,False,[],[],"N'=4, J'=3 - N''=3, J''=2",{},1.723486228714266,1.0813,False,0.0,Catalog,True,0.0,False,False,[],True
"cyclohexa-2,5-dien-1-one",,c6h6o,19254.64359513773,19254.6448,-1.1398,0.001204862266604323,20.912123576427344,0.0008,0.0,0,4001,False,[],[],"N'=4, J'=2 - N''=3, J''=1",{},1.9649658171073803,1.3227,False,0.0,Catalog,True,0.0,False,False,"[2-phenylacetonitrile, 19,254.4943]",True
"hexa-4,5-dien-2-ynenitrile",,c6h3n,19296.867163169423,19296.6557,-4.3097,-0.2114631694239506,20.221847987833634,0.0288,0.0,0,4001,False,[],[],"N'=18, J'=17 - N''=19    18, J''=18",{},11.215867149892077,10.5722,False,0.0,Catalog,True,0.0,False,False,"[Artifact, 19,296.8750]",False
"cyclohexa-2,4-dien-1-one",,c6h6o,19418.06803019211,19418.0631,-1.263,-0.00493019210989587,37.237053831768485,0.0009,0.0,0,4001,False,[],[],"N'=4, J'=2 - N''=3, J''=1",{},1.9679168648452123,1.3202,False,0.0,Catalog,True,0.0,False,False,[],True
"(2E)-hexa-1,3-dien-5-yne (anti)",,c6h6,19421.921579247577,19421.9204,-2.4594,-0.0011792475779657252,16.936011653453445,0.0006,0.0,0,4001,False,[],[],"N'=7, J'=7 - N''=6, J''=6",{},2.591945530523653,1.9441,False,0.0,Catalog,True,0.0,False,False,"[benzonitrile (13C2), 19,421.9690]",False
"cyclohexa-2,5-dien-1-one",,c6h6o,19484.46836691289,19484.4614,-0.9676,-0.006966912889765808,38.818633171938146,0.0007,0.0,0,4001,False,[],[],"N'=5, J'=5 - N''=4, J''=4",{},2.0763316737314317,1.4264,False,0.0,Catalog,True,0.0,False,False,[],True
"cyclohexa-2,4-dien-1-one",,c6h6o,19540.981883249584,19540.987,-1.0975,0.00511675041707349,19.33678244570721,0.0006,0.0,0,4001,False,[],[],"N'=5, J'=5 - N''=4, J''=4",{},2.080917164793385,1.4291,False,0.0,Catalog,True,0.0,False,False,"[benzonitrile, v15, 19,540.8043]",True
1-ethynyl-cycloprop-1-en-2-ylidene,,c5h2,19606.25263775124,19606.252,-0.9731,-0.0006377512399922125,18.123088564926395,0.0027,0.0,0,4001,False,[],[],"N'=3, J'=3 - N''=2, J''=2",{},1.308194170860696,0.6542,False,0.0,Catalog,True,0.0,False,False,"[2-phenylacetonitrile, 19,606.1741]",False
"(2E)-hexa-1,3-dien-5-yne (anti)",,c6h6,19682.050332151986,19682.062,-2.7296,0.011667848015349591,13.177836223466416,0.0008,0.0,0,4001,False,[],[],"N'=7, J'=6 - N''=6, J''=5",{},3.4699229202663933,2.8134,False,0.0,Catalog,True,0.0,False,False,[],True
"(2E)-hexa-1,3-dien-5-yne (anti)",,c6h6,19706.03312192594,19706.0022,-6.7239,-0.03092192593976506,11.954022353995526,0.02,0.0,0,4001,False,[],[],"N'=1, J'=1 - N''=2, J''=2",{},0.9351214793815794,0.2778,False,0.0,Catalog,True,0.0,False,False,"[penta-1,2-dien-4-yne, 19,706.0126]",False
"cyclopenta-2,4-dien-1-one",,c5h4o,19785.79721021389,19785.9815,-1.4243,0.18428978611336788,8.082607486199526,0.0006,0.0,0,4001,False,[],[],"N'=3, J'=2 - N''=2, J''=1",{},1.9676893016654877,1.3077,False,0.0,Catalog,True,0.0,False,False,[],True
"cyclohexa-2,5-dien-1-one",,c6h6o,19800.25960233288,19800.2606,-0.9454,0.0009976671208278276,30.07443376135879,0.0006,0.0,0,4001,False,[],[],"N'=5, J'=5 - N''=4, J''=4",{},2.0670656011726622,1.4066,False,0.0,Catalog,True,0.0,False,False,[],True
"cyclohexa-2,4-dien-1-one",,c6h6o,19835.22583091416,19835.2208,-1.077,-0.005030914162489353,18.529783802694585,0.0007,0.0,0,4001,False,[],[],"N'=5, J'=5 - N''=4, J''=4",{},2.0726317479207568,1.411,False,0.0,Catalog,True,0.0,False,False,[],True
ethynylbenzene,,c8h6,19876.324333243836,19876.1885,-3.0232,-0.13583324383580475,7.4258798629096185,0.002,0.0,0,4001,False,[],[],"N'=7, J'=5 - N''=6, J''=4",{},3.1896982832990415,2.5267,False,0.0,Catalog,True,0.0,False,False,[],True
Artifact,,,19999.99030551335,20000.0,0.0,0.00969448664909578,14.305630234895506,0.0,0.0,0,4001,False,[],[],,{},0.0,0.0,False,0.0,Artifact,False,0.0,False,False,[],True
"cyclopropa-1,2-diene,1v6",,c3h2,20002.05174760373,20002.0651,0.0,0.013352396268601296,13.926289895975149,0.002,0.0,0,4001,False,[],[],"2,2,0,2,1,1",{},0.0,0.0,False,0.0,Line file,True,0.0,False,False,"[cyanopenta-2,4-diyne-2,2-diyl, 20,002.1273, hepta-2,4,6-triynal, 20,002.2405]",False
"ethynylbenzene,v23",,c8h6,20006.802451904638,20006.8177,-2.8786,0.015248095362039749,11.09328149765654,0.0009,0.0,0,4001,False,[],[],"N'=7, J'=6 - N''=6, J''=5",{},2.8309556043894872,2.1636,False,0.0,Catalog,True,0.0,False,False,[],True
"benzonitrile, v15",,c7h5n,20102.093039603344,20102.1149,-5.7033,0.021860396656848025,8.21669922123892,0.0029,0.0,0,4001,False,[],[],"N'=7, J'=5 - N''=6     6, J''=4",{},3.2125343768187786,2.542,False,0.0,Catalog,True,0.0,False,False,"[penta-1,2-dien-4-yne, 20,102.2240]",True
"5-ethenylidenecyclopenta-1,3-diene",,c7h6,20172.91333139144,20172.9332,-2.565,0.019868608560500434,9.402464755174826,0.0014,0.0,0,4001,False,[],[],"N'=6, J'=6 - N''=5, J''=5",{},2.3767966210350764,1.7039,False,0.0,Catalog,True,0.0,False,False,[],True
"ethenone, 1v9",,c2h2o,20266.99651225779,20266.8507,-0.8188,-0.14581225778965745,7.105463241460567,0.0006,0.0,0,4001,False,[],[],"N'=1, J'=1 - N''=0, J''=0",{},0.6760293716261534,0.0,False,0.0,Catalog,True,0.0,False,False,[],True
"ethynylbenzene,v23",,c8h6,20299.13462498141,20299.2658,0.0,0.13117501859233016,8.134850783836152,0.002,0.0,0,4001,False,[],[],"8,1,8,7,1,7",{},0.0,0.0,False,0.0,Line file,True,0.0,False,False,[],True
Artifact,,,20312.50045868215,20312.5,0.0,-0.00045868214874644764,49.00657587400872,0.0,0.0,0,4001,False,[],[],,{},0.0,0.0,False,0.0,Artifact,False,0.0,False,False,[],True
"penta-1,3-diyne",,c5h4,20357.35045223203,20357.4324,-1.3767,0.0819477679724514,10.292143569482278,0.0,0.0,0,4001,False,[],[],"N'=5.0, J'=nan - N''=4.0, J''=nan",{},2.037150851906355,1.3581,False,0.0,Catalog,True,0.0,False,False,[],True
"5-ethenylidenecyclopenta-1,3-diene",,c7h6,20555.11,20555.1205,-2.8733,0.010500000000320142,6.16,0.0008,0.0,0,4001,False,[],[],"N'=6, J'=5 - N''=5, J''=4",{},3.2657450171271485,2.5801,False,0.0,Catalog,True,0.0,False,False,[],True
"cyclopenta-2,4-dien-1-one",,c5h4o,20733.765109957883,20733.6371,-1.3897,-0.1280099578834779,8.53353103364956,0.0009,0.0,0,4001,False,[],[],"N'=3, J'=1 - N''=2, J''=0",{},2.0076996899428337,1.3161,False,0.0,Catalog,True,0.0,False,False,[],True
"(2Z)-hexa-1,3-dien-5-yne (anti)",,c6h6,20747.01606634104,20746.9878,-2.7653,-0.028266341039852705,11.501243863237866,0.0013,0.0,0,4001,False,[],[],"N'=6, J'=6 - N''=5, J''=5",{},2.68654502135941,1.9945,False,0.0,Catalog,True,0.0,False,False,"[cyanoprop-1,2-dien-1,3-diyl, 20,746.9978, umol-1850, 20,746.9015, buta-1,3-diynylbenzene, 20,747.2035]",False
"buta-1,3-diynylbenzene",,c10h6,20768.001220670485,20767.7647,-4.009,-0.23652067048533354,15.864401456568686,0.0008,0.0,0,4001,False,[],[],"N'=19, J'=17 - N''=18, J''=16",{},8.461338064144362,7.7686,False,0.0,Catalog,True,0.0,False,False,[],True
propadienylidene,,c3h2,20792.578538953716,20792.5879,0.1789,0.009361046282720054,9.71939919476936,0.0028,0.0,0,4001,False,[],[],"N'=1, J'=1 - N''=0, J''=0",{},0.6935660769691543,0.0,False,0.0,Catalog,True,0.0,False,False,[],True
"5-ethylenecyclopenta-1,3-diene",,c6h6,20857.239816039455,20857.144,-2.7962,-0.0958160394548031,8.750774530517557,0.0009,0.0,0,4001,False,[],[],"N'=3, J'=2 - N''=2, J''=1",{},1.5628194366777566,0.8671,False,0.0,Catalog,True,0.0,False,False,[],True
"1,3-pentadien-5-al",C=C/C=C\C=O,c5h6o,21289.33769022553,21289.3645,-1.6166,0.026809774470166303,6.433302855332508,0.0016,0.0,0,4001,False,[],[],"N'=7, J'=6 - N''=6, J''=5",{},4.658236760678616,3.9481,False,0.0,Catalog,True,0.0,False,False,[],True
"penta-2,4-diynenitrile, 1v9",,c5hn,21328.12529500613,21327.8847,-5.3489,-0.24059500613293494,13.46972832199175,0.0073,0.0,0,4001,False,[],[],"N'=8, J'=8 - N''=7, J''=8",{},3.157121656244601,2.4457,False,0.0,Catalog,True,0.0,False,False,"[Artifact, 21,328.1250]",False
"hex-1-ene-3,5-diyne",,c6h4,21473.533080728783,21473.4429,-2.3145,-0.0901807287846168,7.679524580681724,0.001,0.0,0,4001,False,[],[],"N'=8, J'=8 - N''=7, J''=7",{},3.223476955172768,2.5072,False,0.0,Catalog,True,0.0,False,False,[],True
"1,2,3,4-pentatetraene-1,1,5-trienyl radical",,c5h,21480.964406120747,21480.808,-0.6151,-0.15640612074639648,6.1204786057024965,0.0009,0.0,0,4001,False,[],[],"N'=5, J'=5 - N''=5     4, J''=4",{},1.9908226284645225,1.2743,False,0.0,Catalog,True,0.0,False,False,[],True
"1,2,3,4-pentatetraene-1,1,5-trienyl radical",,c5h,21484.71,21484.6934,-0.6152,-0.01659999999901629,7.68,0.0009,0.0,0,4001,False,[],[],"N'=5, J'=5 - N''=5     4, J''=4",{},1.991552231458071,1.2749,False,0.0,Catalog,True,0.0,False,False,[],True
"5-ethenylidenecyclopenta-1,3-diene",,c7h6,21512.331535959136,21512.3119,-2.6235,-0.01963595913548488,7.040460085435694,0.001,0.0,0,4001,False,[],[],"N'=6, J'=5 - N''=5, J''=4",{},2.7334734854543936,2.0159,False,0.0,Catalog,True,0.0,False,False,[],True
"cyclopenta-2,4-dien-1-one",,c5h4o,21535.72238916149,21535.8584,-1.0254,0.13601083851244766,7.2515490473806725,0.0007,0.0,0,4001,False,[],[],"N'=3, J'=2 - N''=2, J''=1",{},1.6045589121511523,0.8862,False,0.0,Catalog,True,0.0,False,False,[],True
"cyclopropa-1,2-diene,gs",,c3h2,21587.39386226229,21587.4012,-1.814,0.007337737708439818,24.126116747715614,0.0009,0.0,0,4001,False,[],[],"N'=2, J'=0 - N''=2, J''=1",{},6.74727819489575,6.0272,False,0.0,Catalog,True,0.0,False,False,[],True
pent-4-en-2-ynenitrile,,c5h4n,21654.59105955333,21654.5909,-5.1039,-0.00015955333219608292,7.817597714508649,0.0047,0.0,0,4001,False,[],[],"N'=8, J'=6 - N''=0 8   7, J''=5",{},8.396119402044464,7.6738,False,0.0,Catalog,True,0.0,False,False,"[ethenonyl radical, 21,654.7314]",True
ethenonyl radical,,c2ho,21665.162836499814,21665.1278,-1.2819,-0.03503649981576018,8.362680395884574,0.0,0.0,0,4001,False,[],[],"N'=1, J'=1 - N''=0, J''=0",{},0.7240708751959328,0.0014,False,0.0,Catalog,True,0.0,False,False,[],True
"cyclohexa-1,3-dien-5-yne",,c6h4,21770.734124495346,21770.7549,-1.6903,0.020775504654011456,17.888523026156,0.0,0.0,0,4001,False,[],[],"N'=3, J'=3 - N''=2, J''=2",{},1.5686942159999235,0.8425,False,0.0,Catalog,True,0.0,False,False,[],True
"cyclohexa-1,3-dien-5-yne,v16",,c6h4,21781.85624576869,21781.8609,-1.6899,0.004654231310269097,25.272863427875468,0.0006,0.0,0,4001,False,[],[],"N'=3, J'=3 - N''=2, J''=2",{},1.5690646722840507,0.8425,False,0.0,Catalog,True,0.0,False,False,[],True
2-phenylacetonitrile,,c8h7n,21789.941164643325,21789.7792,-7.2082,-0.16196464332460891,13.650004649546046,0.151,0.0,0,4001,False,[],[],"N'=14, J'=9 - N''=15    15, J''=12",{},9.55772879834155,8.8309,False,0.0,Catalog,True,0.0,False,False,[],True
"cyclohexa-1,3-dien-5-yne,2v16",,c6h4,21792.720088789487,21792.8937,-1.6894,0.17361121051362716,6.370714313152737,0.0006,0.0,0,4001,False,[],[],"N'=3, J'=3 - N''=2, J''=2",{},1.5694326868790007,0.8425,False,0.0,Catalog,True,0.0,False,False,[],True
"(2Z)-hexa-1,3-dien-5-yne (anti)",,c6h6,21810.552528676355,21810.5087,-3.0366,-0.043828676356497454,6.892461512212928,0.0016,0.0,0,4001,False,[],[],"N'=6, J'=5 - N''=5, J''=4",{},3.5888202600326924,2.8613,False,0.0,Catalog,True,0.0,False,False,"[cyclohexa-2,4-dien-1-one, 21,810.4598]",False
Artifact,,,21835.923493002956,21835.9375,0.0,0.014006997043907177,12.29052905930751,0.0,0.0,0,4001,False,[],[],,{},0.0,0.0,False,0.0,Artifact,False,0.0,False,False,[],True
"cyclohexa-2,5-dien-1-one",,c6h6o,21889.74404878328,21889.7151,-1.0776,-0.028948783277883194,10.24603448604507,0.0004,0.0,0,4001,False,[],[],"N'=5, J'=4 - N''=4, J''=3",{},2.6128623011476826,1.8827,False,0.0,Catalog,True,0.0,False,False,[],True
"(2E)-hexa-1,3-dien-5-yne (anti)",,c6h6,21914.153760169538,21914.0849,-2.7709,-0.06886016953649232,7.30630843246523,0.0009,0.0,0,4001,False,[],[],"N'=8, J'=8 - N''=7, J''=7",{},4.133275190176398,3.4023,False,0.0,Catalog,True,0.0,False,False,[],True
"(E)-3-penten-1-yne, A state",,c5h6,21991.363534071977,21991.3175,-3.2251,-0.046034071976464475,22.257542562080456,0.0057,0.0,0,4001,False,[],[],"N'=5, J'=3 - N''=4, J''=2",{},7.038351392410279,6.3048,False,0.0,Catalog,True,0.0,False,False,"[cyclohexa-2,4-dien-1-one, 21,991.3547]",False
"(2E)-hexa-1,3-dien-5-yne (anti)",,c6h6,22193.46222079613,22193.327,0.0,-0.13522079612812377,12.465245030232555,0.002,0.0,0,4001,False,[],[],"8,0,8,7,0,7",{},0.0,0.0,False,0.0,Line file,True,0.0,False,False,[],True
"cyclohexa-1,3-dien-5-yne",,c6h4,22216.334428198286,22216.3463,-1.6629,0.01187180171473301,57.643336642318616,0.0,0.0,0,4001,False,[],[],"N'=3, J'=3 - N''=2, J''=2",{},1.5710575452168314,0.83,False,0.0,Catalog,True,0.0,False,False,"[cyclohexa-1,3-dien-5-yne,v15, 22,216.2708]",False
"cyclohexa-1,3-dien-5-yne,v16",,c6h4,22224.509618159893,22224.4887,-1.6626,-0.020918159891152754,23.245669921562843,0.0006,0.0,0,4001,False,[],[],"N'=3, J'=3 - N''=2, J''=2",{},1.5714291464457055,0.8301,False,0.0,Catalog,True,0.0,False,False,"[benzonitrile (13C1), 22,224.6766]",True
"cyclohexa-1,3-dien-5-yne,2v16",,c6h4,22232.55277553978,22232.5507,-1.6623,-0.002075539781799307,19.64051532493529,0.0006,0.0,0,4001,False,[],[],"N'=3, J'=3 - N''=2, J''=2",{},1.5717980658192543,0.8302,False,0.0,Catalog,True,0.0,False,False,[],True
"benzonitrile, v12",,c7h5n,22237.963922485596,22237.897,-4.0611,-0.06692248559556901,6.1661513700000565,0.0057,0.0,0,4001,False,[],[],"N'=8, J'=6 - N''=8     7, J''=5",{},4.61427639919147,3.8725,False,0.0,Catalog,True,0.0,False,False,"[benzonitrile, v15, 22,237.8138]",True
Artifact,,,22343.751784226275,22343.75,0.0,-0.00178422627504915,151.39862410384222,0.0,0.0,0,4001,False,[],[],,{},0.0,0.0,False,0.0,Artifact,False,0.0,False,False,[],True
"l_ccch,ve",,c3h,22565.20823703428,22565.1989,0.0,-0.009337034280179068,13.124918694030823,0.005,0.0,0,4001,False,[],[],"1,2,2,0,1,1",{},0.0,0.0,False,0.0,Line file,True,0.0,False,False,[],True
"(E)-but-2-enenitrile, A state",,c4h5n,22715.01201444906,22715.0759,-1.2295,0.06388555093872128,7.886759635763804,0.0027,0.0,0,4001,False,[],[],"N'=5, J'=4 - N''=5     4, J''=3",{},3.4655933739940847,2.7079,False,0.0,Catalog,True,0.0,False,False,"[5-ethenylidenecyclopenta-1,3-diene, 22,714.9068]",True
"cyclohexa-2,5-dien-1-one",,c6h6o,22748.923920542078,22749.036,-1.7869,0.11207945792193641,6.369999291059768,0.0013,0.0,0,4001,False,[],[],"N'=5, J'=2 - N''=4, J''=1",{},3.8480261609970188,3.0892,False,0.0,Catalog,True,0.0,False,False,[],True
"(2Z)-penta-2,4-dienenitrile (syn)",,c4h5n,22793.524174588663,22793.5369,-3.3266,0.012725411335850367,11.531336890918862,0.0054,0.0,0,4001,False,[],[],"N'=8, J'=7 - N''=7     7, J''=6",{},4.249910551241419,3.4896,False,0.0,Catalog,True,0.0,False,False,"[(2Z)-hexa-1,3-dien-5-yne (anti), 22,793.4036]",True
"cyclohexa-2,4-dien-1-one",,c6h6o,22897.495302897136,22897.4196,-1.4453,-0.07570289713476086,8.582919131232824,0.0013,0.0,0,4001,False,[],[],"N'=5, J'=3 - N''=4, J''=2",{},3.1525757051246432,2.3888,False,0.0,Catalog,True,0.0,False,False,[],True
"benzonitrile, v15",,c7h5n,22947.673658682692,22947.6324,-3.8297,-0.04125868269329658,6.258744876904623,0.0143,0.0,0,4001,False,[],[],"N'=9, J'=9 - N''=9     8, J''=8",{},3.99945062384458,3.234,False,0.0,Catalog,True,0.0,False,False,"[cyclopenta-2,4-diene-1-carbonitrile, 22,947.8922]",True
pentatetraenylidene,,c5h2,22952.8625789221,22952.8769,0.0411,0.014321077898785006,6.041831896915142,0.0067,0.0,0,4001,False,[],[],"N'=5, J'=5 - N''=4, J''=4",{},2.2969255615343065,1.5313,False,0.0,Catalog,True,0.0,False,False,"[benzonitrile, v21, 22,952.8947]",False
pentatetraenylidene,,c5h2,22999.861601500135,22999.876,-2.8451,0.014398499864910264,6.389712516943423,0.0072,0.0,0,4001,False,[],[],"N'=5, J'=4 - N''=4, J''=3",{},11.484793282760968,10.7176,False,0.0,Catalog,True,0.0,False,False,[],True
ethynylbenzene,,c8h6,23051.810883364935,23051.8477,-2.9711,0.036816635063587455,7.358716285591937,0.0033,0.0,0,4001,False,[],[],"N'=9, J'=9 - N''=8, J''=8",{},3.9430268720696104,3.1741,False,0.0,Catalog,True,0.0,False,False,[],True
"cyclohexa-2,5-dien-1-one",,c6h6o,23141.39830814612,23141.497,-0.9549,0.09869185388015467,12.39537244324025,0.0007,0.0,0,4001,False,[],[],"N'=6, J'=6 - N''=5, J''=5",{},2.848317250833575,2.0764,False,0.0,Catalog,True,0.0,False,False,"[cyclohexa-2,5-dien-1-one ,v19, 23,141.2188]",True
"cyclohexa-2,4-dien-1-one",,c6h6o,23202.474132394877,23202.5826,-1.0857,0.10846760512504261,15.108056262005432,0.0006,0.0,0,4001,False,[],[],"N'=6, J'=6 - N''=5, J''=5",{},2.854854847122939,2.0809,False,0.0,Catalog,True,0.0,False,False,[],True
"cyclohexa-2,5-dien-1-one",,c6h6o,23299.38,23299.3317,-0.9458,-0.04830000000220025,7.97,0.0007,0.0,0,4001,False,[],[],"N'=6, J'=6 - N''=5, J''=5",{},2.844182049723212,2.067,False,0.0,Catalog,True,0.0,False,False,[],True
"cyanoprop-1,2-dien-1,3-diyl",,c4hn,23345.24,23345.1748,-1.6308,-0.06520000000091386,9.28,0.0079,0.0,0,4001,False,[],[],"N'=5, J'=6 - N''=6 7   4, J''=5",{},2.0882112109404702,1.3095,False,0.0,Catalog,True,0.0,False,False,"[cyclohexa-2,4-dien-1-one, 23,345.2984]",False
Artifact,,,23359.37081404027,23359.375,0.0,0.004185959729511524,20.705493004705964,0.0,0.0,0,4001,False,[],[],,{},0.0,0.0,False,0.0,Artifact,False,0.0,False,False,[],True
"(3E)-penta-1,3-dien-1-one (anti)",C/C=C/C=C=O,c5h6o,23391.829664600074,23391.7939,-2.9485,-0.035764600073889596,9.620649156461395,0.0085,0.0,0,4001,False,[],[],"N'=9, J'=8 - N''=8, J''=7",{},6.7580662567315155,5.9778,False,0.0,Catalog,True,0.0,False,False,"[cyclopenta-2,4-dien-1-one, 23,391.6605]",True
"cyclohexa-2,5-dien-1-one",,c6h6o,23403.082576659337,23403.0835,-0.9272,0.0009233406635758001,30.26184663889967,0.0008,0.0,0,4001,False,[],[],"N'=5, J'=4 - N''=4, J''=3",{},2.49664283725243,1.716,False,0.0,Catalog,True,0.0,False,False,[],True
"cyclohexa-2,4-dien-1-one",,c6h6o,23462.06502734429,23462.0004,-1.4283,-0.0646273442907841,10.347671361810072,0.0011,0.0,0,4001,False,[],[],"N'=5, J'=2 - N''=4, J''=1",{},3.1783080934964683,2.3957,False,0.0,Catalog,True,0.0,False,False,[],True
"cyclohexa-2,4-dien-1-one",,c6h6o,23492.588538756467,23492.595,-1.0591,0.00646124353443156,35.85794631828629,0.001,0.0,0,4001,False,[],[],"N'=5, J'=4 - N''=4, J''=3",{},2.5071286195031632,1.7235,False,0.0,Catalog,True,0.0,False,False,[],True
"benzonitrile, v12",,c7h5n,23686.930797079254,23686.7532,-5.8967,-0.17759707925506518,6.143442492577074,0.1519,0.0,0,4001,False,[],[],"N'=10, J'=7 - N''=11    11, J''=10",{},7.372205039933993,6.5821,False,0.0,Catalog,True,0.0,False,False,"[cyclohepta-2,4,6-trien-1-one, 23,687.1054]",False
2-phenylacetonitrile,,c8h7n,23867.194123112156,23867.0386,-4.5922,-0.1555231121565157,14.943347377103299,0.0233,0.0,0,4001,False,[],[],"N'=9, J'=8 - N''=8     8, J''=7",{},3.311818713566837,2.5157,False,0.0,Catalog,True,0.0,False,False,"[benzenol, 23,867.3209, Artifact, 23,867.1875]",False
Artifact,,,23999.997213328377,24000.0,0.0,0.0027866716227435973,19.780494473235162,0.0,0.0,0,4001,False,[],[],,{},0.0,0.0,False,0.0,Artifact,False,0.0,False,False,[],True
"cyanopenta-2,4-diyne-2,2-diyl",,c6hn,24033.52053402738,24033.6049,-3.792,0.08436597261970746,6.531986285814399,0.0,0.0,0,4001,False,[],[],"N'=6, J'=6 - N''=7 7   5, J''=6",{},1.401474767281837,0.5998,False,0.0,Catalog,True,0.0,False,False,[],True
"cyclohexa-1,3-dien-5-yne,2v16",,c6h4,24058.71457129604,24058.7097,-1.674,-0.004871296041528694,13.765795298739727,0.001,0.0,0,4001,False,[],[],"N'=2, J'=1 - N''=1, J''=0",{},1.2251121732715502,0.4226,False,0.0,Catalog,True,0.0,False,False,[],True
"cyclohexa-1,3-dien-5-yne,v16",,c6h4,24084.056725749775,24084.0511,-1.6733,-0.005625749774480937,55.64151046574599,0.0008,0.0,0,4001,False,[],[],"N'=2, J'=1 - N''=1, J''=0",{},1.2264574713877558,0.4231,False,0.0,Catalog,True,0.0,False,False,"[cyanoprop-1,2-dien-1,3-diyl, 24,084.1917]",True
"cyclohexa-1,3-dien-5-yne,v15",,c6h4,24093.796630603956,24093.7887,-1.6731,-0.007930603955173865,16.68490557371758,0.0019,0.0,0,4001,False,[],[],"N'=2, J'=1 - N''=1, J''=0",{},1.2268822827610961,0.4232,False,0.0,Catalog,True,0.0,False,False,[],True
"cyclohexa-1,3-dien-5-yne",,c6h4,24109.515527442378,24109.5142,-1.6727,-0.0013274423763505183,59.51106744943167,0.0,0.0,0,4001,False,[],[],"N'=2, J'=1 - N''=1, J''=0",{},1.227706828979,0.4235,False,0.0,Catalog,True,0.0,False,False,[],True
"cyclopenta-2,4-dien-1-one",,c5h4o,24293.455257514794,24293.4473,-0.8957,-0.00795751479381579,14.466755240286057,0.0009,0.0,0,4001,False,[],[],"N'=4, J'=4 - N''=3, J''=3",{},2.090342176786849,1.28,False,0.0,Catalog,True,0.0,False,False,[],True
Artifact,,,24375.0004085657,24375.0,0.0,-0.0004085656983079389,383.60261801830086,0.0,0.0,0,4001,False,[],[],,{},0.0,0.0,False,0.0,Artifact,False,0.0,False,False,[],True
"penta-1,3-diyne",,c5h4,24429.034889118975,24428.8986,-1.3706,-0.13628911897467333,6.216519949204673,0.0,0.0,0,4001,False,[],[],"N'=6.0, J'=nan - N''=5.0, J''=nan",{},2.8520603458196403,2.0372,False,0.0,Catalog,True,0.0,False,False,[],True
"cyanoprop-1,2-dien-1,3-diyl",,c4hn,24463.16637969798,24463.2856,-7.2477,0.11922030201822054,6.046573907188844,0.0039,0.0,0,4001,False,[],[],"N'=4, J'=3 - N''=4 4   3, J''=4",{},1.4976073726737982,0.6816,False,0.0,Catalog,True,0.0,False,False,[],True
"cyclohexa-2,4-dien-1-one",,c6h6o,24574.433949271493,24574.5468,-1.1381,0.11285072850660072,6.463461047809916,0.0015,0.0,0,4001,False,[],[],"N'=5, J'=3 - N''=4, J''=2",{},2.787618646824664,1.9679,False,0.0,Catalog,True,0.0,False,False,[],True
Artifact,,,24749.97551969485,24750.0,0.0,0.02448030515006394,10.429269287769,0.0,0.0,0,4001,False,[],[],,{},0.0,0.0,False,0.0,Artifact,False,0.0,False,False,[],True
"benzonitrile, v12",,c7h5n,24882.824680649464,24882.9298,-5.7831,0.10511935053727939,9.262749299070693,0.1058,0.0,0,4001,False,[],[],"N'=3, J'=1 - N''=4     4, J''=4",{},1.8364051964616135,1.0064,False,0.0,Catalog,True,0.0,False,False,"[Artifact, 24,882.8125]",False
"(2Z)-hexa-1,3-dien-5-yne (anti)",,c6h6,24906.108084527514,24906.1812,-2.7152,0.07311547248536954,7.1125253841660125,0.0021,0.0,0,4001,False,[],[],"N'=7, J'=7 - N''=6, J''=6",{},3.3570807796819224,2.5263,False,0.0,Catalog,True,0.0,False,False,[],True
"ethynylbenzene,v23",,c8h6,25410.326192325003,25410.3215,-3.0309,-0.004692325004725717,6.158096416975422,0.0017,0.0,0,4001,False,[],[],"N'=9, J'=8 - N''=8, J''=7",{},4.436997089984165,3.5894,False,0.0,Catalog,True,0.0,False,False,"[benzonitrile, 25,410.3420, hexa-4,5-dien-2-ynenitrile, 25,410.3095, maleonitrile, 25,410.1364]",False
benzonitrile,,c7h5n,25628.709183257397,25628.5889,-3.8695,-0.12028325739811407,6.197185395588056,0.0004,0.0,0,4001,False,[],[],"N'=9, J'=8 - N''=9     8, J''=7",{},4.4762777067633905,3.6214,False,0.0,Catalog,True,0.0,False,False,[],True
"buta-2,3-dienenitrile",,c4h3n,25732.215046419617,25732.3817,-2.3878,0.16665358038517297,15.737187042363457,0.0063,0.0,0,4001,False,[],[],"N'=6, J'=5 - N''=7     6, J''=6",{},4.472239861905399,3.6139,False,0.0,Catalog,True,0.0,False,False,[],True
Artifact,,,26000.100440950733,26000.0,0.0,-0.10044095073317294,9.884846370530406,0.0,0.0,0,4001,False,[],[],,{},0.0,0.0,False,0.0,Artifact,False,0.0,False,False,[],True
isocyanobenzene,,c7h5n,26406.22,26406.1809,-2.3743,-0.039100000001781154,7.02,0.0,0.0,0,4001,False,[],[],"N'=9, J'=7 - N''=10     8, J''=6",{},5.657215383954722,4.7764,False,0.0,Catalog,True,0.0,False,False,[],True
2-phenylacetonitrile,,c8h7n,26991.186358494495,26990.949,-6.0158,-0.23735849449440138,6.431254406892536,0.0465,0.0,0,4001,False,[],[],"N'=14, J'=9 - N''=13    13, J''=8",{},9.557721148172448,8.6574,False,0.0,Catalog,True,0.0,False,False,[],True