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
benzenol,,c6h6o,17253.184573991464,17253.1915,-2.6429,0.006926008536538575,6.2119633630357916,0.0018,0.0,0,5001,False,[],[],"N'=4, J'=4 - N''=0     3, J''=3",{},1.4361045211977947,0.8606,False,0.0,Catalog,True,0.0,False,False,[],True
Artifact,,,17265.62459323643,17265.625,0.0,0.0004067635709361639,19.94649068661964,0.0,0.0,0,5001,False,[],[],,{},0.0,0.0,False,0.0,Artifact,False,0.0,False,False,[],True
"cyclopropa-1,2-diene,1v5+1v6",,c3h2,17273.324063181903,17273.3365,0.0,0.012436818098649383,11.089666360636482,0.002,0.0,0,5001,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,17290.19965461069,17290.1811,-0.7549,-0.018554610687715467,36.96336251156729,0.0013,0.0,0,5001,False,[],[],"N'=2, J'=2 - N''=1, J''=1",{},0.865138361443369,0.2884,False,0.0,Catalog,True,0.0,False,False,[],True
prop-2-enal (anti) (13C1),,c3h4o,17292.130143700942,17292.1293,-0.6496,-0.000843700941913994,8.871148366788749,0.0011,0.0,0,5001,False,[],[],"N'=2, J'=2 - N''=1, J''=1",{},0.8652033464003954,0.2884,False,0.0,Catalog,True,0.0,False,False,[],True
benzenol,,c6h6o,17365.155202548485,17365.1532,-2.4154,-0.002002548484597355,24.650549641531438,0.0018,0.0,0,5001,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), ve1",,c3h4o,17368.756331569464,17368.7633,-1.2059,0.006968430534470826,21.564246710434844,0.0012,0.0,0,5001,False,[],[],"N'=2, J'=2 - N''=1, J''=1",{},2.302159581487537,1.7228,False,0.0,Catalog,True,0.0,False,False,"[cyclohexa-2,4-dien-1-one (13C1), 17,368.7129, benzonitrile, 17,368.8453]",False
2-propenal (anti),,c3h4o,17387.60104327471,17387.597,-1.2045,-0.004043274708237732,183.27061715909167,0.0007,0.0,0,5001,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]",False
pyran-2-one,,c5h4o2,17435.768427857292,17435.6804,-4.2975,-0.08802785729130846,125.16295781665895,0.0254,0.0,0,5001,False,[],[],"N'=10, J'=9 - N''=10, J''=8",{},10.410891695679016,9.8293,False,0.0,Catalog,True,0.0,False,False,"[cyclopropa-1,2-diene,1v6, 17,435.7694]",False
"cyclohexa-2,5-dien-1-one (13C3)",,c6h6o,17565.72497151274,17565.643,-1.2027,-0.08197151273998315,5.585612085493803,0.001,0.0,0,5001,False,[],[],"N'=4, J'=3 - N''=3, J''=2",{},1.8627267813868753,1.2768,False,0.0,Catalog,True,0.0,False,False,[],True
(Z)-pent-2-en-4-ynal (anti),,c5h4o,17567.424095393868,17567.4237,-1.3008,-0.0003953938685299363,12.724230559047099,0.0006,0.0,0,5001,False,[],[],"N'=5, J'=5 - N''=4, J''=4",{},2.025586179145307,1.4396,False,0.0,Catalog,True,0.0,False,False,"[cyanopenta-2,4-diyne-2,2-diyl, 17,567.6581]",False
cis-hex-ene-diyene,,c6h4,17586.209475968088,17586.0194,-7.2936,-0.1900759680866031,11.376260214654524,0.0,0.0,0,5001,False,[],[],"N'=12, J'=10 - N''=11, J''=7",{},13.242306464929815,12.6557,False,0.0,Catalog,True,0.0,False,False,[],True
"(E)-3-penten-1-yne, A state",,c5h6,17587.82698019698,17587.8179,-1.7244,-0.00908019698181306,27.933154890648865,0.001,0.0,0,5001,False,[],[],"N'=4, J'=4 - N''=3, J''=3",{},1.4667664564323362,0.8801,False,0.0,Catalog,True,0.0,False,False,"[(E)-3-penten-1-yne, E state, 17,587.8340, but-3-ynenitrile, 17,587.7103]",False
4-methylene cyclopentenone,,c6h6o,17606.356970284724,17606.3894,-2.1536,0.032429715276521165,7.0691276168616675,0.0009,0.0,0,5001,False,[],[],"N'=5, J'=5 - N''=4, J''=4",{},1.9261859349917336,1.3389,False,0.0,Catalog,True,0.0,False,False,[],True
"cyclohexa-2,5-dien-1-one",,c6h6o,17702.715175552963,17702.7112,-1.2013,-0.0039755529614922125,67.12149873939424,0.0005,0.0,0,5001,False,[],[],"N'=4, J'=3 - N''=3, J''=2",{},1.8826988843982193,1.2922,False,0.0,Catalog,True,0.0,False,False,[],True
"cyclopenta-2,4-dien-1-one",,c5h4o,17716.107934947802,17716.1058,-1.1358,-0.002134947801096132,54.05482917130299,0.0007,0.0,0,5001,False,[],[],"N'=3, J'=3 - N''=2, J''=2",{},1.3486456801611735,0.7577,False,0.0,Catalog,True,0.0,False,False,[],True
"cyclohexa-2,5-dien-1-one ,v22",,c6h6o,17717.95533171231,17718.0154,-1.2003,0.06006828769022832,9.218180555885425,0.0012,0.0,0,5001,False,[],[],"N'=4, J'=3 - N''=3, J''=2",{},1.8820093775607922,1.291,False,0.0,Catalog,True,0.0,False,False,[],True
prop-2-enal (anti) (13C2),,c3h4o,17725.16,17725.1819,-0.6245,0.021899999999732245,16.15,0.0011,0.0,0,5001,False,[],[],"N'=2, J'=2 - N''=1, J''=1",{},0.8869484262696161,0.2957,False,0.0,Catalog,True,0.0,False,False,"[4-ethenylidene-cyclopent-2-en-1-one, 17,725.3479, 4-methylidenecyclopent-2-en-1-one, 17,725.3479, hexa-1,2,3-trien-5-yne, 17,724.9522]",False
"cyclopenta-2,4-dien-1-one, ve1",,c5h4o,17725.78,17725.8129,-1.1353,0.03290000000197324,15.44,0.0007,0.0,0,5001,False,[],[],"N'=3, J'=3 - N''=2, J''=2",{},1.3486694741640233,0.7574,False,0.0,Catalog,True,0.0,False,False,[],True
but-1-en-3-yne,,c4h4,17734.541122317296,17734.524,-2.9686,-0.01712231729470659,15.055444132944292,0.0012,0.0,0,5001,False,[],[],"N'=2, J'=2 - N''=1, J''=1",{},2.4137600451829915,1.8222,False,0.0,Catalog,True,0.0,False,False,[],True
prop-2-enal (anti) (13C3),,c3h4o,17738.023298021926,17738.0156,-0.624,-0.007698021927353693,12.4044490967411,0.0009,0.0,0,5001,False,[],[],"N'=2, J'=2 - N''=1, J''=1",{},0.8875765124224706,0.2959,False,0.0,Catalog,True,0.0,False,False,[],True
"2-propenal (anti), ve2",,c3h4o,17747.824035087506,17747.8189,-0.6183,-0.005135087507369462,10.231194541045088,0.0014,0.0,0,5001,False,[],[],"N'=2, J'=2 - N''=1, J''=1",{},0.8881035153119161,0.2961,False,0.0,Catalog,True,0.0,False,False,[],True
"2-propenal (anti), ve1",,c3h4o,17782.008686392874,17782.0084,-0.617,-0.00028639287484111264,31.543755571996325,0.0014,0.0,0,5001,False,[],[],"N'=2, J'=2 - N''=1, J''=1",{},0.8897439542751938,0.2966,False,0.0,Catalog,True,0.0,False,False,"[(E)-3-penten-1-yne, E state, 17,782.1659]",False
2-propenal (syn),,c3h4o,17790.224553846587,17790.0965,-1.9017,-0.12805384658713592,5.676181579185941,0.001,0.0,0,5001,False,[],[],"N'=3, J'=3 - N''=2, J''=2",{},2.217213744251031,1.6238,False,0.0,Catalog,True,0.0,False,False,[],True
"cyclohexa-2,4-dien-1-one",,c6h6o,17795.416121238835,17795.4169,-1.3271,0.0007787611648382153,92.78579125520749,0.0006,0.0,0,5001,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,17801.311188387077,17801.3089,-0.6162,-0.0022883870769874193,814.5020522088624,0.0007,0.0,0,5001,False,[],[],"N'=2, J'=2 - N''=1, J''=1",{},0.890687749657131,0.2969,False,0.0,Catalog,True,0.0,False,False,"[cyanoprop-1,2-dienylidene, 17,801.4037]",False
ethynylbenzene,,c8h6,17803.25332725015,17803.4011,-2.8979,0.14777274984953692,5.425663215706907,0.0009,0.0,0,5001,False,[],[],"N'=7, J'=7 - N''=6, J''=6",{},2.5312575379371287,1.9374,False,0.0,Catalog,True,0.0,False,False,[],True
benzaldehyde,,c7h6o,17856.89,17856.9163,-1.6129,0.02630000000135624,5.72,0.0006,0.0,0,5001,False,[],[],"N'=7, J'=7 - N''=6, J''=6",{},2.5265426128638633,1.9309,False,0.0,Catalog,True,0.0,False,False,[],True
butatrienylidene,,c4h2,17863.811537104233,17863.8178,-0.0783,0.0062628957675769925,6.598799606196083,0.0,0.0,0,5001,False,[],[],"N'=2, J'=2 - N''=1, J''=1",{},0.8937728221241643,0.2979,False,0.0,Catalog,True,0.0,False,False,[],True
2-propenal (syn),,c3h4o,17929.350088195326,17929.346,-1.4059,-0.004088195324584376,88.18219896410181,0.0009,0.0,0,5001,False,[],[],"N'=1, J'=0 - N''=1, J''=1",{},0.9697586075984608,0.3717,False,0.0,Catalog,True,0.0,False,False,[],True
butatrienylidene,,c4h2,17937.993629610424,17937.949,-2.6412,-0.04462961042372626,9.949375122556381,0.0,0.0,0,5001,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",,c7h6,17961.57065312019,17961.4702,-2.6604,-0.10045312019065022,5.773270197753361,0.0008,0.0,0,5001,False,[],[],"N'=5, J'=4 - N''=4, J''=3",{},2.0158301555691573,1.4167,False,0.0,Catalog,True,0.0,False,False,[],True
"(2Z)-hexa-1,3-dien-5-yne (anti)",,c6h6,17994.399863384777,17994.4538,-2.6984,0.05393661522248294,6.010069902086527,0.0007,0.0,0,5001,False,[],[],"N'=5, J'=5 - N''=4, J''=4",{},1.8099303700381948,1.2097,False,0.0,Catalog,True,0.0,False,False,[],True
"(Z)-3-penten-1-yne, A state",,c5h6,18006.49,18006.5126,-2.0589,0.022599999996600673,10.82,0.0009,0.0,0,5001,False,[],[],"N'=3, J'=3 - N''=2, J''=2",{},1.2056326083093123,0.605,False,0.0,Catalog,True,0.0,False,False,[],True
"(Z)-3-penten-1-yne, E state",,c5h6,18007.47,18007.4946,0.0,0.024600000000646105,11.5,0.002,0.0,0,5001,False,[],[],"3,0,3,2,0,2",{},0.0,0.0,False,0.0,Line file,True,0.0,False,False,[],True
prop-2-ynal (13C3),,c3h2o,18054.308401194496,18054.3055,-1.0157,-0.0029011944970989134,22.290034958486846,0.0014,0.0,0,5001,False,[],[],"N'=2, J'=2 - N''=1, J''=1",{},0.9033268078538519,0.3011,False,0.0,Catalog,True,0.0,False,False,[],True
"6-methylidenecyclohexa-2,4-dien-1-one",C=C1C=CC=CC1=O,c7h6o,18109.252953639327,18109.3449,-2.1742,0.09194636067331885,8.023292302618628,0.0019,0.0,0,5001,False,[],[],"N'=3, J'=1 - N''=2, J''=0",{},1.1858627246199769,0.5818,False,0.0,Catalog,True,0.0,False,False,"[but-3-ynenitrile, 18,109.1916]",False
"penta-1,2-dien-1-one-3-yl radical",,c3ho,18128.95123613912,18128.9366,-1.0426,-0.01463613911982975,13.347563483630939,0.0,0.0,0,5001,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,-3.9296,0.018800000001647277,6.17,0.0063,0.0,0,5001,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
"penta-1,2-dien-1-one-3-yl radical",,c3ho,18136.492874732285,18136.3988,-1.2225,-0.09407473228566232,5.505325100229927,0.0,0.0,0,5001,False,[],[],"N'=2, J'=2 - N''=1, J''=1",{},0.9078651455874851,0.3029,False,0.0,Catalog,True,0.0,False,False,"[cyclopenta-2,4-diene-1-carbonitrile, 18,136.5681, cyanopenta-2,4-diyne-2,2-diyl, 18,136.4805]",False
"penta-1,2-dien-1-one-3-yl radical",,c3ho,18146.54545229541,18146.5949,-2.9663,0.04944770459042047,74.33077088759276,0.0,0.0,0,5001,False,[],[],"N'=2, J'=1 - N''=1, J''=2",{},0.9075052508745901,0.3022,False,0.0,Catalog,True,0.0,False,False,"[but-1-en-3-yne, 18,146.5471, cyclopropa_1_yne_3_yl_radical, 18,146.7148]",False
"cyclohexa-2,5-dien-1-one",,c6h6o,18175.407794158607,18175.4055,-1.5681,-0.002294158606673591,29.672099163623837,0.0007,0.0,0,5001,False,[],[],"N'=4, J'=2 - N''=3, J''=1",{},2.400566269046702,1.7943,False,0.0,Catalog,True,0.0,False,False,"[benzonitrile, v21, 18,175.2065]",False
"(2E)-penta-2,4-dienal (anti)",C=C/C=C/C=O,c5h6o,18182.377305438455,18182.3881,-1.2429,0.010794561545480974,8.39481660752672,0.001,0.0,0,5001,False,[],[],"N'=7, J'=7 - N''=6, J''=6",{},3.3303991835118145,2.7239,False,0.0,Catalog,True,0.0,False,False,[],True
prop-2-ynenitrile,,c3hn,18196.275903994472,18196.3109,-0.5618,0.034996005528228125,16.867341695623246,0.0,0.0,0,5001,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
"2-propenal (anti), ve1",,c3h4o,18201.372989204465,18201.3612,-1.1736,-0.01178920446545817,11.794043735698548,0.0012,0.0,0,5001,False,[],[],"N'=2, J'=1 - N''=1, J''=0",{},2.343832058005275,1.7367,False,0.0,Catalog,True,0.0,False,False,"[cyclohexa-2,4-dien-1-one (13C6), 18,201.1979]",False
"1,3-pentadien-5-al",C=C/C=C\C=O,c5h6o,18211.97768190923,18211.9828,-1.0092,0.005118090772157302,11.813655717757182,0.0007,0.0,0,5001,False,[],[],"N'=6, J'=6 - N''=5, J''=5",{},2.1283863564446306,1.5209,False,0.0,Catalog,True,0.0,False,False,[],True
2-propenal (anti),,c3h4o,18221.16695511762,18221.1634,-1.1722,-0.003555117618816439,239.16591959985362,0.0009,0.0,0,5001,False,[],[],"N'=2, J'=1 - N''=1, J''=0",{},2.3427925882978684,1.735,False,0.0,Catalog,True,0.0,False,False,"[penta-1,4-diyn-3-one, 18,221.1271]",False
"buta-1,2,3-trien-1-one-4-yl",,c4ho,18222.49,18222.4635,-1.7947,-0.026499999999941792,9.31,0.0019,0.0,0,5001,False,[],[],"N'=4, J'=3 - N''=3, J''=2",{},1.517835954965885,0.91,False,0.0,Catalog,True,0.0,False,False,[],True
"buta-1,2,3-trien-1-one-4-yl",,c4ho,18222.714939870162,18222.8793,-1.6678,0.1643601298383146,10.43214961462068,0.0019,0.0,0,5001,False,[],[],"N'=4, J'=4 - N''=3, J''=3",{},1.5184498245609634,0.9106,False,0.0,Catalog,True,0.0,False,False,[],True
cyclopent-2-en-1-one,,c5h6o,18236.65932871274,18236.7549,-1.3744,0.09557128726009978,8.988855994767622,0.0018,0.0,0,5001,False,[],[],"N'=3, J'=2 - N''=2, J''=1",{},1.7998126647568966,1.1915,False,0.0,Catalog,True,0.0,False,False,[],True
"cyclopropa-1,2-diene,1v3",,c3h2,18241.719158504766,18241.7207,0.0,0.001541495235869661,39.686124474931525,0.002,0.0,0,5001,False,[],[],"1,1,0,1,0,1",{},0.0,0.0,False,0.0,Line file,True,0.0,False,False,[],True
benzaldehyde,,c7h6o,18255.38,18255.4059,-1.5776,0.025900000000547152,9.43,0.0006,0.0,0,5001,False,[],[],"N'=7, J'=7 - N''=6, J''=6",{},2.4948347951508505,1.8859,False,0.0,Catalog,True,0.0,False,False,"[buta-1,2,3-trien-1-one-4-yl, 18,255.3961, (2Z)-hexa-1,3-dien-5-yne (anti), 18,255.2412]",False
"buta-1,2,3-trien-1-one-4-yl",,c4ho,18256.0,18256.0353,-1.5612,0.0352999999995518,7.3,0.0019,0.0,0,5001,False,[],[],"N'=4, J'=5 - N''=3, J''=4",{},1.5229557896750023,0.914,False,0.0,Catalog,True,0.0,False,False,"[hepta-1,2,3,4,5-pentaene-6-yne, 18,255.8441]",False
(Z)-pent-2-en-4-ynal (anti),,c5h4o,18257.691945568175,18257.7354,-1.1876,0.04345443182683084,7.450094478116996,0.0007,0.0,0,5001,False,[],[],"N'=5, J'=5 - N''=4, J''=4",{},1.8363124989068271,1.2273,False,0.0,Catalog,True,0.0,False,False,[],True
"cyclopropa-1,2-diene,1v2",,c3h2,18260.978764367406,18260.981,0.0,0.0022356325935106725,10.560901137070546,0.002,0.0,0,5001,False,[],[],"1,1,0,1,0,1",{},0.0,0.0,False,0.0,Line file,True,0.0,False,False,"[1,3-pentadien-5-al, 18,261.0859]",False
ethynylbenzene,,c8h6,18265.25797707011,18265.4256,-2.8535,0.167622929890058,6.409610032928985,0.001,0.0,0,5001,False,[],[],"N'=7, J'=7 - N''=6, J''=6",{},2.484669016367316,1.8754,False,0.0,Catalog,True,0.0,False,False,[],True
Artifact,,,18281.250253421313,18281.25,0.0,-0.00025342131266370416,144.92141860761095,0.0,0.0,0,5001,False,[],[],,{},0.0,0.0,False,0.0,Artifact,False,0.0,False,False,[],True
"cyclohexa-2,4-dien-1-one",,c6h6o,18294.675686884002,18294.6689,-1.689,-0.006786884001485305,36.49306809499597,0.0014,0.0,0,5001,False,[],[],"N'=4, J'=2 - N''=3, J''=1",{},2.388844467857827,1.7786,False,0.0,Catalog,True,0.0,False,False,[],True
prop-2-ynal,,c3h2o,18325.54186117604,18325.5413,-1.7907,-0.0005611760389001574,153.85830808917328,0.001,0.0,0,5001,False,[],[],"N'=2, J'=2 - N''=1, J''=1",{},3.0304742602750867,2.4192,False,0.0,Catalog,True,0.0,False,False,[],True
"cyclohexa-2,5-dien-1-one",,c6h6o,18334.018630021546,18334.0183,-1.5616,-0.0003300215466879308,37.76346944233574,0.0007,0.0,0,5001,False,[],[],"N'=4, J'=1 - N''=3, J''=0",{},2.406757022558586,1.7952,False,0.0,Catalog,True,0.0,False,False,"[7-oxo-1,2,3,4,5,6-heptahexaenylidene, 18,334.0358]",False
"cyclopropa-1,2-diene,gs",,c3h2,18343.142459657338,18343.1445,-0.2719,0.0020403426606208086,633.1546438229273,0.0008,0.0,0,5001,False,[],[],"N'=1, J'=0 - N''=1, J''=1",{},2.2450614398231457,1.6332,False,0.0,Catalog,True,0.0,False,False,[],True
"(2E)-penta-2,4-dienal (anti)",C=C/C=C/C=O,c5h6o,18388.423366161533,18388.424,-0.9491,0.0006338384664559271,18.800652854143042,0.001,0.0,0,5001,False,[],[],"N'=7, J'=7 - N''=6, J''=6",{},2.4537718013679983,1.8404,False,0.0,Catalog,True,0.0,False,False,[],True
methylcyanide,,c2h3n,18396.733811591825,18396.727,-0.5586,-0.006811591825680807,26.43897933412871,0.0008,0.0,0,5001,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,18398.00520239907,18397.9938,-0.3368,-0.011402399068174418,32.19211390487053,0.0006,0.0,0,5001,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,,c5h2,18399.908103388472,18399.9172,-2.9324,0.009096611527638743,10.224084136776938,0.0044,0.0,0,5001,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)",,c3h2,18413.969565126332,18413.8,0.0,-0.1695651263325999,6.943012054494966,0.002,0.0,0,5001,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,[],True
(Z)-pent-2-en-4-ynal (anti),,c5h4o,18455.729038758607,18455.5887,-1.5872,-0.14033875860695844,5.475023971617681,0.001,0.0,0,5001,False,[],[],"N'=5, J'=4 - N''=4, J''=3",{},2.909812174606474,2.2942,False,0.0,Catalog,True,0.0,False,False,[],True
"cyclohexa-2,4-dien-1-one",,c6h6o,18469.89265453394,18469.892,-1.6818,-0.0006545339383592363,53.675022014962245,0.0014,0.0,0,5001,False,[],[],"N'=4, J'=1 - N''=3, J''=0",{},2.395689281338759,1.7796,False,0.0,Catalog,True,0.0,False,False,[],True
"penta-2,4-diynal",,c5h2o,18542.354816111776,18542.358,-1.2777,0.003183888224157272,18.589138788666148,0.0008,0.0,0,5001,False,[],[],"N'=7, J'=7 - N''=6, J''=6",{},2.4741064869110216,1.8556,False,0.0,Catalog,True,0.0,False,False,"[cyanopenta-2,4-diyne-2,2-diyl, 18,542.2166]",False
prop-2-ynal (13C1),,c3h2o,18556.197418281045,18556.1925,-0.9969,-0.004918281043501338,21.479418027969313,0.0014,0.0,0,5001,False,[],[],"N'=2, J'=2 - N''=1, J''=1",{},0.9284679561585235,0.3095,False,0.0,Catalog,True,0.0,False,False,[],True
prop-2-ynal (13C2),,c3h2o,18561.77881068311,18561.7788,-0.9967,-1.0683110303943977e-05,21.49915836136204,0.0014,0.0,0,5001,False,[],[],"N'=2, J'=2 - N''=1, J''=1",{},0.928754295069024,0.3096,False,0.0,Catalog,True,0.0,False,False,[],True
but-1-en-3-yne,,c4h4,18564.86327886049,18564.8878,-2.9372,0.024521139512216905,11.897205290221304,0.0012,0.0,0,5001,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,18650.31024451953,18650.3089,-0.9935,-0.0013445195290842094,1592.2533426174782,0.0008,0.0,0,5001,False,[],[],"N'=2, J'=2 - N''=1, J''=1",{},0.9332073413394542,0.3111,False,0.0,Catalog,True,0.0,False,False,[],True
(Z)-pent-2-en-4-ynal (anti),,c5h4o,18678.109724535007,18678.0498,-1.5796,-0.059924535005848156,5.068811840109584,0.001,0.0,0,5001,False,[],[],"N'=5, J'=3 - N''=4, J''=2",{},2.9229326781603024,2.2999,False,0.0,Catalog,True,0.0,False,False,"[cyanopenta-2,4-diyne-2,2-diyl, 18,678.2078]",False
benzenol,,c6h6o,18685.41914808089,18685.4117,-2.4631,-0.007448080890753772,17.168703368453983,0.0019,0.0,0,5001,False,[],[],"N'=2, J'=1 - N''=0     1, J''=0",{},0.9009782447115464,0.2777,False,0.0,Catalog,True,0.0,False,False,"[2-phenylacetonitrile, 18,685.4349, cyanoacetyl-cycloprop-1-ene-2,2-diyl, 18,685.4957]",False
"1,3-pentadien-5-al",C=C/C=C\C=O,c5h6o,18701.24,18701.2456,-1.1548,0.005599999996775296,5.57,0.0009,0.0,0,5001,False,[],[],"N'=6, J'=5 - N''=5, J''=4",{},2.6381064067642424,2.0143,False,0.0,Catalog,True,0.0,False,False,"[cyclohexa-2,4-dien-1-one (13C5), 18,701.3559]",False
c4h4o-isomer4,,c4h4o,18773.39454167977,18773.3874,-0.6766,-0.007141679769119946,16.724867854920454,0.0011,0.0,0,5001,False,[],[],"N'=4, J'=4 - N''=3, J''=3",{},1.5656127981885388,0.9394,False,0.0,Catalog,True,0.0,False,False,"[buta-2,3-dienal (anti), 18,773.3330]",False
"6-methylidenecyclohexa-2,4-dien-1-one",C=C1C=CC=CC1=O,c7h6o,18785.525120160757,18785.3534,-2.1728,-0.17172016075710417,5.5552009846001935,0.0018,0.0,0,5001,False,[],[],"N'=3, J'=0 - N''=2, J''=1",{},1.1918119409848529,0.5652,False,0.0,Catalog,True,0.0,False,False,"[hexa-4,5-dien-2-ynenitrile, 18,785.3282]",False
Artifact,,,18789.07,18789.0625,0.0,-0.007499999999708962,7.64,0.0,0.0,0,5001,False,[],[],,{},0.0,0.0,False,0.0,Artifact,False,0.0,False,False,[],True
"hex-1-ene-3,5-diyne",,c6h4,18790.00403863329,18790.001,-2.2797,-0.003038633290998405,25.436998569231342,0.0009,0.0,0,5001,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,18797.31403784563,18797.3136,-2.6797,-0.00043784562876680866,19.288318105025603,0.0019,0.0,0,5001,False,[],[],"N'=2, J'=1 - N''=1     1, J''=0",{},0.902810890313992,0.2758,False,0.0,Catalog,True,0.0,False,False,[],True
pent-1-en-4-yn-3-one (anti),C=CC(=O)C#C,c5h4o,18797.78,18797.7693,-1.1947,-0.010699999998905696,6.74,0.0012,0.0,0,5001,False,[],[],"N'=4, J'=4 - N''=3, J''=3",{},1.65902609082981,1.032,False,0.0,Catalog,True,0.0,False,False,[],True
"4-oxo-1,2,3-butatrienylidene",,c4o,18809.938299566922,18810.0733,-1.0256,0.1350004330779484,9.222802968858364,0.0011,0.0,0,5001,False,[],[],"N'=4.0, J'=nan - N''=3.0, J''=nan",{},1.8285365080925418,1.2011,False,0.0,Catalog,True,0.0,False,False,[],True
"cyclopenta-2,4-dien-1-one",,c5h4o,18838.360429468896,18838.3573,-1.0147,-0.0031294688960770145,65.77761387186229,0.0007,0.0,0,5001,False,[],[],"N'=3, J'=3 - N''=2, J''=2",{},1.2799799607794,0.6516,False,0.0,Catalog,True,0.0,False,False,[],True
"cyclopenta-2,4-dien-1-one, ve1",,c5h4o,18844.881378144706,18844.8779,-1.0145,-0.003478144706605235,16.887700014704112,0.0005,0.0,0,5001,False,[],[],"N'=3, J'=3 - N''=2, J''=2",{},1.2803974645833152,0.6518,False,0.0,Catalog,True,0.0,False,False,"[cyclopropa-1-yne-3-yl_radical,ve1, 18,844.8900]",False
benzenol,,c6h6o,18919.673307270867,18919.6738,-2.4238,0.0004927291338390205,13.544476581870189,0.0019,0.0,0,5001,False,[],[],"N'=5, J'=5 - N''=0     4, J''=4",{},2.0689923872541183,1.4379,False,0.0,Catalog,True,0.0,False,False,[],True
prop-2-ynal,,c3h2o,18978.786705204846,18978.7843,-1.7669,-0.00240520484658191,75.28490109708983,0.0008,0.0,0,5001,False,[],[],"N'=2, J'=1 - N''=1, J''=0",{},3.0631641012990394,2.4301,False,0.0,Catalog,True,0.0,False,False,[],True
ethynylbenzene,,c8h6,19001.07,19001.0525,-3.0464,-0.01749999999810825,5.06,0.0018,0.0,0,5001,False,[],[],"N'=7, J'=6 - N''=6, J''=5",{},3.1203068884975083,2.4865,False,0.0,Catalog,True,0.0,False,False,"[cyclohexa-2,5-dien-1-one, 19,001.1994, cis-hex-ene-diyene, 19,000.8759]",False
cyclopent-2-en-1-one,,c5h6o,19006.015285777918,19006.0939,-1.3434,0.07861422208225122,5.965181849923754,0.0018,0.0,0,5001,False,[],[],"N'=3, J'=1 - N''=2, J''=0",{},1.8321750515004616,1.1982,False,0.0,Catalog,True,0.0,False,False,[],True
benzenol,,c6h6o,19031.62465751842,19031.6167,-2.6403,-0.00795751842088066,6.861178213759,0.0019,0.0,0,5001,False,[],[],"N'=5, J'=5 - N''=1     4, J''=4",{},2.0709264004693537,1.4361,False,0.0,Catalog,True,0.0,False,False,[],True
"cyclohexa-2,4-dien-1-one (13C4)",,c6h6o,19076.117222338606,19076.3066,-1.0861,0.1893776613942464,5.434542438347553,0.0014,0.0,0,5001,False,[],[],"N'=4, J'=3 - N''=3, J''=2",{},1.7074170950751535,1.0711,False,0.0,Catalog,True,0.0,False,False,[],True
"cyclohexa-2,5-dien-1-one",,c6h6o,19150.51666326149,19150.5198,-0.9817,0.0031367385090561584,192.45055628286747,0.0008,0.0,0,5001,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, cyclohexa-2,4-dien-1-one (13C4), 19,150.3343]",False
"(Z)-3-penten-1-yne, A state",,c5h6,19226.18094281794,19226.1702,-2.1606,-0.010742817939899396,7.753574720988095,0.0017,0.0,0,5001,False,[],[],"N'=3, J'=2 - N''=2, J''=1",{},1.5756160066888674,0.9343,False,0.0,Catalog,True,0.0,False,False,"[3-phenylprop-2-ynenitrile, 19,225.9347]",False
"(Z)-3-penten-1-yne, E state",,c5h6,19227.83992788979,19227.838,0.0,-0.00192788978893077,7.0506636819438535,0.002,0.0,0,5001,False,[],[],"3,1,2,2,1,1",{},0.0,0.0,False,0.0,Line file,True,0.0,False,False,[],True
"3-oxo-1,2-propadienylidene",,c3o,19243.518550110573,19243.5206,-0.5251,0.0020498894264164846,230.71701904707174,0.0,0.0,0,5001,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,19252.261744670992,19252.2588,-1.1107,-0.002944670992292231,345.8622840526488,0.0008,0.0,0,5001,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,19254.64377778501,19254.6448,-1.1398,0.001022214986733161,99.50378875479693,0.0008,0.0,0,5001,False,[],[],"N'=4, J'=2 - N''=3, J''=1",{},1.9649658171073803,1.3227,False,0.0,Catalog,True,0.0,False,False,"[cyclohexa-2,5-dien-1-one (13C2), 19,254.6125, 2-phenylacetonitrile, 19,254.4943]",False
acetaldehyde,,c2h4o,19262.144076540982,19262.1411,-1.1901,-0.0029765409817628097,29.765316936725604,0.0007,0.0,0,5001,False,[],[],"N'=1, J'=1 - N''=2     0, J''=0",{},0.7105158667600637,0.068,False,0.0,Catalog,True,0.0,False,False,[],True
acetaldehyde,,c2h4o,19265.138842335637,19265.1353,-0.8677,-0.0035423356348474044,18.97999354542456,0.0007,0.0,0,5001,False,[],[],"N'=1, J'=1 - N''=0     0, J''=0",{},0.6417157425214479,-0.0009,False,0.0,Catalog,True,0.0,False,False,[],True
3-oxoprop-2-enal (anti),,c3h2o2,19332.30898790791,19332.3051,-1.7178,-0.003887907907483168,14.662882764042303,0.001,0.0,0,5001,False,[],[],"N'=4, J'=4 - N''=3, J''=3",{},1.6122562858776122,0.9674,False,0.0,Catalog,True,0.0,False,False,[],True
2-propenal (syn),,c3h4o,19346.00015654324,19345.9976,-1.3737,-0.002556543240643805,64.15212681932034,0.0008,0.0,0,5001,False,[],[],"N'=2, J'=1 - N''=2, J''=2",{},1.757813018514962,1.1125,False,0.0,Catalog,True,0.0,False,False,"[cyclohexa-2,4-dien-1-one (13C4), 19,346.2096]",False
"cyclohexa-2,4-dien-1-one",,c6h6o,19350.1230998581,19350.2619,-2.8336,0.138800141899992,6.853476074250836,0.0041,0.0,0,5001,False,[],[],"N'=5, J'=3 - N''=5, J''=4",{},3.1526552602520774,2.5072,False,0.0,Catalog,True,0.0,False,False,[],True
"cyclohexa-2,4-dien-1-one (13C2)",,c6h6o,19359.347904511047,19359.389,-1.0719,0.04109548895212356,7.855200351055719,0.0012,0.0,0,5001,False,[],[],"N'=5, J'=5 - N''=4, J''=4",{},2.060959707537406,1.4152,False,0.0,Catalog,True,0.0,False,False,"[ethynylbenzene,2v23, 19,359.4275, maleonitrile, 19,359.1458]",False
(E)-pent-2-en-4-ynal (anti),,c5h4o,19370.51295900813,19370.5107,-1.0809,-0.002259008131659357,41.04434937863816,0.0005,0.0,0,5001,False,[],[],"N'=7, J'=7 - N''=6, J''=6",{},2.5848306875171625,1.9387,False,0.0,Catalog,True,0.0,False,False,[],True
"cyclohexa-2,4-dien-1-one",,c6h6o,19418.065906208238,19418.0631,-1.263,-0.0028062082383257803,168.13793085802504,0.0009,0.0,0,5001,False,[],[],"N'=4, J'=2 - N''=3, J''=1",{},1.9679168648452123,1.3202,False,0.0,Catalog,True,0.0,False,False,[],True
benzaldehyde,,c7h6o,19462.585253277517,19462.6025,-2.7727,0.017246722483832855,6.122645173618784,0.0007,0.0,0,5001,False,[],[],"N'=5, J'=3 - N''=5, J''=4",{},2.5458025393113792,1.8966,False,0.0,Catalog,True,0.0,False,False,[],True
"cyclohexa-2,5-dien-1-one",,c6h6o,19484.4645527743,19484.4614,-0.9676,-0.003152774301270256,215.20069638334363,0.0007,0.0,0,5001,False,[],[],"N'=5, J'=5 - N''=4, J''=4",{},2.0763316737314317,1.4264,False,0.0,Catalog,True,0.0,False,False,[],True
"cyclohexa-2,5-dien-1-one ,v22",,c6h6o,19499.80706420821,19499.8824,-0.9672,0.0753357917892572,9.423929961271094,0.0012,0.0,0,5001,False,[],[],"N'=5, J'=5 - N''=4, J''=4",{},2.0775460629226368,1.4271,False,0.0,Catalog,True,0.0,False,False,"[cyclohexa-2,5-dien-1-one, v22, 19,499.8828]",False
"cyclohexa-2,4-dien-1-one",,c6h6o,19540.979272511104,19540.987,-1.0975,0.007727488897216972,95.29321676715642,0.0006,0.0,0,5001,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]",False
"penta-1,4-diyn-3-one",,c5h2o,19552.14994105718,19552.0677,-1.223,-0.08224105718181818,6.141838426831297,0.0007,0.0,0,5001,False,[],[],"N'=4, J'=4 - N''=3, J''=3",{},1.6019867771603513,0.9498,False,0.0,Catalog,True,0.0,False,False,[],True
1-ethynyl-cycloprop-1-en-2-ylidene,,c5h2,19606.36496212409,19606.252,-0.9731,-0.11296212409069994,5.305984936714764,0.0027,0.0,0,5001,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
"cyclohexa-2,4-dien-1-one (13C3)",,c6h6o,19607.718260281,19607.95,-1.051,0.23173971900178003,5.506994618766275,0.0013,0.0,0,5001,False,[],[],"N'=5, J'=5 - N''=4, J''=4",{},2.0467508100440606,1.3927,False,0.0,Catalog,True,0.0,False,False,[],True
4-ethenylidene-cyclopent-2-en-1-one,,c7h6o,19631.64,19631.5819,-4.0899,-0.058099999998376006,5.1,0.0119,0.0,0,5001,False,[],[],"N'=6, J'=2 - N''=7, J''=5",{},4.356539085378192,3.7017,False,0.0,Catalog,True,0.0,False,False,"[4-methylidenecyclopent-2-en-1-one, 19,631.5819, cyclohexa-2,4-dien-1-one (13C4), 19,631.6144, 3-phenylprop-2-ynenitrile, 19,631.6015, maleonitrile, 19,631.4020]",False
benzenol,,c6h6o,19662.73466201775,19662.9146,-2.4727,0.1799379822514311,6.368174387521875,0.0019,0.0,0,5001,False,[],[],"N'=2, J'=0 - N''=0     1, J''=1",{},0.9059842317507534,0.2501,False,0.0,Catalog,True,0.0,False,False,[],True
"(2E)-hexa-1,3-dien-5-yne (anti)",,c6h6,19682.204025742365,19682.062,-2.7296,-0.1420257423633302,5.082812021708831,0.0008,0.0,0,5001,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)",,c6h6,19706.00731498878,19706.0022,-6.7239,-0.005114988780405838,17.28464832963465,0.02,0.0,0,5001,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
cyclopent-2-en-1-one,,c5h6o,19736.379019928234,19736.3937,-0.9912,0.014680071766633773,16.27020616985585,0.0015,0.0,0,5001,False,[],[],"N'=3, J'=2 - N''=2, J''=1",{},1.4671352307015009,0.8088,False,0.0,Catalog,True,0.0,False,False,[],True
"cyclopenta-2,4-dien-1-one",,c5h4o,19785.979094616072,19785.9815,-1.4243,0.0024053839297266677,38.021789448253166,0.0006,0.0,0,5001,False,[],[],"N'=3, J'=2 - N''=2, J''=1",{},1.9676893016654877,1.3077,False,0.0,Catalog,True,0.0,False,False,[],True
"cyclopenta-2,4-dien-1-one, ve1",,c5h4o,19792.70600817455,19792.6093,-1.4234,-0.09670817455116776,10.396328026539887,0.0009,0.0,0,5001,False,[],[],"N'=3, J'=2 - N''=2, J''=1",{},1.965810381276503,1.3056,False,0.0,Catalog,True,0.0,False,False,[],True
"cyclohexa-2,5-dien-1-one",,c6h6o,19800.25863027933,19800.2606,-0.9454,0.0019697206698765513,202.89698354296607,0.0006,0.0,0,5001,False,[],[],"N'=5, J'=5 - N''=4, J''=4",{},2.0670656011726622,1.4066,False,0.0,Catalog,True,0.0,False,False,[],True
"cyclohexa-2,5-dien-1-one ,v22",,c6h6o,19812.157944603106,19812.165,-0.9453,0.0070553968944295775,12.873502441322483,0.0011,0.0,0,5001,False,[],[],"N'=5, J'=5 - N''=4, J''=4",{},2.0683626892141493,1.4075,False,0.0,Catalog,True,0.0,False,False,"[cyclohexa-2,5-dien-1-one, v22, 19,812.1650]",False
"cyclohexa-2,4-dien-1-one",,c6h6o,19835.216031770982,19835.2208,-1.077,0.004768229016917758,136.63047141180093,0.0007,0.0,0,5001,False,[],[],"N'=5, J'=5 - N''=4, J''=4",{},2.0726317479207568,1.411,False,0.0,Catalog,True,0.0,False,False,[],True
λ1-oxidanylbenzene (radical),,c6h5o,19946.69600325546,19946.58,0.0,-0.1160032554580539,9.780537824770754,0.05,0.0,0,5001,False,[],[],"4,1,3,5,3,1,2,4",{},0.0,0.0,False,0.0,Line file,True,0.0,False,False,[],True
Artifact,,,19999.913921083375,20000.0,0.0,0.08607891662541078,8.492623698399418,0.0,0.0,0,5001,False,[],[],,{},0.0,0.0,False,0.0,Artifact,False,0.0,False,False,[],True
"cyclopropa-1,2-diene,1v6",,c3h2,20002.07646182322,20002.0651,0.0,-0.011361823220795486,11.583920295991085,0.002,0.0,0,5001,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
pent-2-en-4-ynal,,c5h4o,20005.78,20005.7329,-1.5748,-0.04709999999977299,6.08,0.0009,0.0,0,5001,False,[],[],"N'=1, J'=0 - N''=1, J''=1",{},0.7705194193564401,0.1032,False,0.0,Catalog,True,0.0,False,False,"[(E)-pent-2-en-4-ynal (syn), 20,005.7335]",False
"ethynylbenzene,v23",,c8h6,20006.82297991203,20006.8177,-2.8786,-0.0052799120312556624,7.047136401813517,0.0009,0.0,0,5001,False,[],[],"N'=7, J'=6 - N''=6, J''=5",{},2.8309556043894872,2.1636,False,0.0,Catalog,True,0.0,False,False,[],True
(E)-pent-2-en-4-ynal (anti),,c5h4o,20012.1703044924,20012.2646,-2.3421,0.09429550759887206,5.042967544254383,0.0008,0.0,0,5001,False,[],[],"N'=3, J'=3 - N''=4, J''=4",{},1.5907372934165007,0.9232,False,0.0,Catalog,True,0.0,False,False,[],True
"penta-1,2-dien-4-yne",,c5h4,20102.228210229,20102.2246,-2.0954,-0.0036102289996051695,23.15378501803784,0.0014,0.0,0,5001,False,[],[],"N'=4, J'=4 - N''=3, J''=3",{},1.6768380360169033,1.0063,False,0.0,Catalog,True,0.0,False,False,"[benzonitrile, v15, 20,102.1149]",False
4-methylene cyclopentenone,,c6h6o,20142.741740941303,20142.7394,-2.1032,-0.002340941304282751,10.71265588697632,0.0019,0.0,0,5001,False,[],[],"N'=5, J'=4 - N''=4, J''=3",{},2.1824894642773165,1.5106,False,0.0,Catalog,True,0.0,False,False,[],True
ethenone,,c2h2o,20209.219142105605,20209.2081,-0.821,-0.011042105605156394,38.33050846695715,0.0006,0.0,0,5001,False,[],[],"N'=1, J'=1 - N''=0, J''=0",{},0.6741066214547666,0.0,False,0.0,Catalog,True,0.0,False,False,"[2-phenylacetonitrile, 20,209.4445]",False
umol-2431,,cxhxo,20250.54752465914,20250.5812,0.0,0.03367534085919033,8.870524018833157,0.002,0.0,0,5001,False,[],[],"3,0,3,2,0,2",{},0.0,0.0,False,0.0,Line file,True,0.0,False,False,[],True
"ethenone, 1v9",,c2h2o,20266.87935455086,20266.8507,-0.8188,-0.02865455086066504,58.93479019979776,0.0006,0.0,0,5001,False,[],[],"N'=1, J'=1 - N''=0, J''=0",{},0.6760293716261534,0.0,False,0.0,Catalog,True,0.0,False,False,[],True
pent-2-en-4-ynal,,c5h4o,20286.157586593617,20286.0049,-1.3604,-0.15268659361754544,5.802128372935249,0.0008,0.0,0,5001,False,[],[],"N'=3, J'=2 - N''=3, J''=3",{},1.295968286965378,0.6193,False,0.0,Catalog,True,0.0,False,False,"[(E)-pent-2-en-4-ynal (syn), 20,286.0046]",False
Artifact,,,20312.50141500337,20312.5,0.0,-0.0014150033712212462,21.942714233463484,0.0,0.0,0,5001,False,[],[],,{},0.0,0.0,False,0.0,Artifact,False,0.0,False,False,[],True
benzenol,,c6h6o,20353.427636688313,20353.3679,-2.5649,-0.059736688312113984,7.42222609964247,0.0019,0.0,0,5001,False,[],[],"N'=5, J'=5 - N''=0     4, J''=4",{},2.0856152747798613,1.4067,False,0.0,Catalog,True,0.0,False,False,[],True
"penta-1,3-diyne",,c5h4,20357.312907817697,20357.2344,-3.2586,-0.07850781769593596,22.737204694691453,0.0,0.0,0,5001,False,[],[],"N'=5.0, J'=nan - N''=4.0, J''=nan",{},7.04054424733727,6.3615,False,0.0,Catalog,True,0.0,False,False,[],True
benzenol,,c6h6o,20465.32454755627,20465.3152,-2.3383,-0.009347556268039625,11.360791611240714,0.0019,0.0,0,5001,False,[],[],"N'=5, J'=5 - N''=1     4, J''=4",{},2.0874494347632986,1.4048,False,0.0,Catalog,True,0.0,False,False,"[hexa-3,5-diyne-1-ene-1-one-2-yl, 20,465.2291, umol-1297, 20,465.1859]",False
Artifact,,,20500.007992830113,20500.0,0.0,-0.00799283011292573,5.75527354939516,0.0,0.0,0,5001,False,[],[],,{},0.0,0.0,False,0.0,Artifact,False,0.0,False,False,[],True
"penta-1,2-dien-4-yne",,c5h4,20521.00160054312,20521.0457,-2.3583,0.04409945687802974,8.075221373570134,0.0016,0.0,0,5001,False,[],[],"N'=4, J'=3 - N''=3, J''=2",{},2.4936084041440427,1.8091,False,0.0,Catalog,True,0.0,False,False,"[benzaldehyde, 20,520.8231]",False
ethynylbenzene,,c8h6,20668.98,20668.9988,-2.8903,0.018800000001647277,5.47,0.0018,0.0,0,5001,False,[],[],"N'=8, J'=8 - N''=7, J''=7",{},3.174043588337369,2.4846,False,0.0,Catalog,True,0.0,False,False,"[cyclopropa-1-yne-3-yl_radical,ve3, 20,668.9636, cyclohexa-2,5-dien-1-one (13C3), 20,668.7641]",False
"cyclopenta-2,4-dien-1-one",,c5h4o,20733.64013742468,20733.6371,-1.3897,-0.003037424681679113,33.21527049443943,0.0009,0.0,0,5001,False,[],[],"N'=3, J'=1 - N''=2, J''=0",{},2.0076996899428337,1.3161,False,0.0,Catalog,True,0.0,False,False,[],True
"cyclopenta-2,4-dien-1-one, ve1",,c5h4o,20740.376224968455,20740.3723,-1.3887,-0.003924968455976341,11.577722324243489,0.0019,0.0,0,5001,False,[],[],"N'=3, J'=1 - N''=2, J''=0",{},2.0058243520322314,1.314,False,0.0,Catalog,True,0.0,False,False,"[cyclohexa-2,5-dien-1-one, 20,740.5604]",False
propadienylidene,,c3h2,20792.59242910095,20792.5879,0.1789,-0.0045291009519132785,12.098711025111104,0.0028,0.0,0,5001,False,[],[],"N'=1, J'=1 - N''=0, J''=0",{},0.6935660769691543,0.0,False,0.0,Catalog,True,0.0,False,False,[],True
"cyclohexa-2,4-dien-1-one",,c6h6o,20859.373021721498,20859.3934,-2.7906,0.020378278502903413,9.838822294983258,0.0014,0.0,0,5001,False,[],[],"N'=2, J'=0 - N''=1, J''=1",{},0.8455944685853305,0.1498,False,0.0,Catalog,True,0.0,False,False,[],True
"penta-1,4-diyn-3-one",,c5h2o,20864.9603954952,20864.9125,-1.2774,-0.047895495201373706,8.570749511542727,0.0006,0.0,0,5001,False,[],[],"N'=5, J'=5 - N''=4, J''=4",{},2.2979785659451113,1.602,False,0.0,Catalog,True,0.0,False,False,"[cyclohexa-2,5-dien-1-one (13C4), 20,864.9558]",False
"cyclohexa-2,4-dien-1-one",,c6h6o,20869.239922604356,20869.1743,-3.1082,-0.06562260435748613,5.595884254257459,0.0008,0.0,0,5001,False,[],[],"N'=3, J'=2 - N''=2, J''=1",{},1.2879207242912027,0.5918,False,0.0,Catalog,True,0.0,False,False,[],True
2-propenal (syn),,c3h4o,20947.719344710695,20947.7158,-1.2435,-0.003544710692949593,54.33669947968177,0.0007,0.0,0,5001,False,[],[],"N'=2, J'=2 - N''=1, J''=1",{},1.6238405867295034,0.9251,False,0.0,Catalog,True,0.0,False,False,"[4-methylidenecyclohexa-2,5-dien-1-one, 20,947.7565]",False
"(2E)-penta-2,4-dienal (anti)",C=C/C=C/C=O,c5h6o,21013.32648740164,21013.3206,-0.9795,-0.005887401639483869,10.479830876253514,0.0017,0.0,0,5001,False,[],[],"N'=8, J'=8 - N''=7, J''=7",{},3.1547289273047694,2.4538,False,0.0,Catalog,True,0.0,False,False,[],True
(Z)-pent-2-en-4-ynal (anti),,c5h4o,21053.12224657845,21053.1269,-1.2588,0.00465342155075632,7.925039184379639,0.0006,0.0,0,5001,False,[],[],"N'=6, J'=6 - N''=5, J''=5",{},2.7278567225490375,2.0256,False,0.0,Catalog,True,0.0,False,False,[],True
"penta-2,4-diynal",,c5h2o,21061.243931881123,21061.3403,-1.8776,0.09636811887685326,7.299623583876423,0.0014,0.0,0,5001,False,[],[],"N'=8, J'=8 - N''=7, J''=7",{},4.957530692082988,4.255,False,0.0,Catalog,True,0.0,False,False,[],True
"cyclohexa-2,5-dien-1-one",,c6h6o,21076.834790515477,21076.9764,-2.6863,0.14160948452263256,5.984849121260137,0.0076,0.0,0,5001,False,[],[],"N'=2, J'=0 - N''=1, J''=1",{},0.8519522562378804,0.1489,False,0.0,Catalog,True,0.0,False,False,[],True
"penta-2,4-diynal",,c5h2o,21190.927178229857,21190.9195,-1.3097,-0.007678229856537655,13.745766054783875,0.0008,0.0,0,5001,False,[],[],"N'=8, J'=8 - N''=7, J''=7",{},3.180952988943438,2.4741,False,0.0,Catalog,True,0.0,False,False,[],True
(E)-but-2-enal (anti),,c4h6o,21277.2497279402,21277.2528,-0.7158,0.0030720597969775554,8.929951938920967,0.0009,0.0,0,5001,False,[],[],"N'=5, J'=5 - N''=4, J''=4",{},2.1294327578534347,1.4197,False,0.0,Catalog,True,0.0,False,False,[],True
"cyclopenta-2,4-dien-1-one",,c5h4o,21535.859551420803,21535.8584,-1.0254,-0.0011514208017615601,22.099421047296303,0.0007,0.0,0,5001,False,[],[],"N'=3, J'=2 - N''=2, J''=1",{},1.6045589121511523,0.8862,False,0.0,Catalog,True,0.0,False,False,[],True
"cyclopenta-2,4-dien-1-one, ve1",,c5h4o,21539.279148067333,21539.2791,-1.0251,-4.806733340956271e-05,9.583372451060145,0.001,0.0,0,5001,False,[],[],"N'=3, J'=2 - N''=2, J''=1",{},1.6041730144211965,0.8857,False,0.0,Catalog,True,0.0,False,False,"[(Z)-pent-2-en-4-ynenitrile, 21,539.4225]",False
"cyclopropa-1,2-diene,gs",,c3h2,21587.3826779814,21587.4012,-1.814,0.018522018599469448,5.88444418968505,0.0009,0.0,0,5001,False,[],[],"N'=2, J'=0 - N''=2, J''=1",{},6.74727819489575,6.0272,False,0.0,Catalog,True,0.0,False,False,[],True
2-propenal (syn),,c3h4o,21613.49699534595,21613.4981,-1.5147,0.0011046540494135115,24.60240402303146,0.0007,0.0,0,5001,False,[],[],"N'=3, J'=2 - N''=3, J''=3",{},2.9382486937793475,2.2173,False,0.0,Catalog,True,0.0,False,False,[],True
4-methylene cyclopentenone,,c6h6o,21627.166657455873,21627.1519,-2.0667,-0.014757455872313585,6.885790560283561,0.0017,0.0,0,5001,False,[],[],"N'=6, J'=6 - N''=5, J''=5",{},2.5824041355236496,1.861,False,0.0,Catalog,True,0.0,False,False,[],True
ethenonyl radical,,c2ho,21654.741501151748,21654.7314,-1.0379,-0.010101151747221593,35.430020461631905,0.0,0.0,0,5001,False,[],[],"N'=1, J'=2 - N''=0, J''=1",{},0.7218240886200012,-0.0005,False,0.0,Catalog,True,0.0,False,False,"[pent-4-en-2-ynenitrile, 21,654.7287]",False
ethenonyl radical,,c2ho,21665.130395783144,21665.1278,-1.2819,-0.002595783145807218,40.02946594163916,0.0,0.0,0,5001,False,[],[],"N'=1, J'=1 - N''=0, J''=0",{},0.7240708751959328,0.0014,False,0.0,Catalog,True,0.0,False,False,[],True
ethenonyl radical,,c2ho,21670.45680121115,21670.4541,-1.2812,-0.0027012111495423596,16.587435197186906,0.0,0.0,0,5001,False,[],[],"N'=1, J'=1 - N''=0, J''=1",{},0.7223485414399585,-0.0005,False,0.0,Catalog,True,0.0,False,False,[],True
ethenonyl radical,,c2ho,21672.275414577645,21672.2954,-1.7362,0.019985422353784088,5.239556773000195,0.0,0.0,0,5001,False,[],[],"N'=1, J'=0 - N''=0, J''=1",{},0.7224099605968073,-0.0005,False,0.0,Catalog,True,0.0,False,False,[],True
"penta-1,4-diyn-3-one",,c5h2o,21712.643742295986,21712.6462,-1.224,0.002457704013067996,20.716282123551583,0.0008,0.0,0,5001,False,[],[],"N'=2, J'=1 - N''=1, J''=0",{},1.0390559184060593,0.3148,False,0.0,Catalog,True,0.0,False,False,[],True
"cyclohexa-1,3-dien-5-yne,v16",,c6h4,21781.853261741697,21781.8609,-1.6899,0.007638258302904433,6.451046657539899,0.0006,0.0,0,5001,False,[],[],"N'=3, J'=3 - N''=2, J''=2",{},1.5690646722840507,0.8425,False,0.0,Catalog,True,0.0,False,False,[],True
cyclopent-2-en-1-one,,c5h6o,21784.263230284425,21784.1851,-0.9055,-0.07813028442615177,9.55346988662248,0.0011,0.0,0,5001,False,[],[],"N'=4, J'=4 - N''=3, J''=3",{},1.9757421992510564,1.2491,False,0.0,Catalog,True,0.0,False,False,"[3-phenylprop-2-ynenitrile, 21,784.0314]",False
(Z)-pent-2-en-4-ynal (anti),,c5h4o,21793.113186548162,21793.1821,-1.1624,0.06891345183976227,7.757924223364227,0.0007,0.0,0,5001,False,[],[],"N'=6, J'=6 - N''=5, J''=5",{},2.5632423068675063,1.8363,False,0.0,Catalog,True,0.0,False,False,"[cyclohexa-1,3-dien-5-yne,2v16, 21,792.8937]",False
"cyclohexa-2,5-dien-1-one",,c6h6o,21889.721573738443,21889.7151,-1.0776,-0.006473738441854948,67.97419764345497,0.0004,0.0,0,5001,False,[],[],"N'=5, J'=4 - N''=4, J''=3",{},2.6128623011476826,1.8827,False,0.0,Catalog,True,0.0,False,False,[],True
"cyclohexa-2,5-dien-1-one ,v22",,c6h6o,21907.364834766577,21907.3265,-1.0768,-0.0383347665774636,5.671602316464788,0.0011,0.0,0,5001,False,[],[],"N'=5, J'=4 - N''=4, J''=3",{},2.6127497542183,1.882,False,0.0,Catalog,True,0.0,False,False,[],True
"(E)-3-penten-1-yne, A state",,c5h6,21983.279847123344,21983.2802,-1.6382,0.00035287665741634555,8.645062327339254,0.001,0.0,0,5001,False,[],[],"N'=5, J'=5 - N''=4, J''=4",{},2.199983296940045,1.4667,False,0.0,Catalog,True,0.0,False,False,"[(E)-3-penten-1-yne, E state, 21,983.2970]",False
"cyclohexa-2,4-dien-1-one",,c6h6o,21991.359386430217,21991.3547,-1.205,-0.004686430216679582,139.14379681244984,0.0006,0.0,0,5001,False,[],[],"N'=5, J'=4 - N''=4, J''=3",{},2.6150526332687125,1.8815,False,0.0,Catalog,True,0.0,False,False,"[(E)-3-penten-1-yne, A state, 21,991.3175]",False
(E)-pent-2-en-4-ynal (anti),,c5h4o,22136.02702351075,22136.0208,-1.1221,-0.006223510750714922,23.913909090029257,0.0006,0.0,0,5001,False,[],[],"N'=8, J'=8 - N''=7, J''=7",{},3.3231781749439473,2.5848,False,0.0,Catalog,True,0.0,False,False,[],True
"ethynylbenzene,v16",,c8h6,22185.73927488812,22185.8849,-3.3271,0.1456251118797809,10.06993181285013,0.0383,0.0,0,5001,False,[],[],"N'=8, J'=5 - N''=7, J''=4",{},4.602441462283885,3.8624,False,0.0,Catalog,True,0.0,False,False,"[hepta-1,2-dien-4,6-diyne, 22,185.8842]",False
"(2E)-hexa-1,3-dien-5-yne (anti)",,c6h6,22193.49527231714,22193.3263,-2.5012,-0.1689723171402875,5.037331475085433,0.0007,0.0,0,5001,False,[],[],"N'=8, J'=8 - N''=7, J''=7",{},3.332189680669685,2.5919,False,0.0,Catalog,True,0.0,False,False,[],True
2-propenal (syn),,c3h4o,22208.557616093407,22208.5581,-0.9014,0.00048390659139840864,63.85260338059551,0.0008,0.0,0,5001,False,[],[],"N'=2, J'=2 - N''=1, J''=1",{},1.112497758828209,0.3717,False,0.0,Catalog,True,0.0,False,False,[],True
"cyclohexa-1,3-dien-5-yne",,c6h4,22216.336562126377,22216.3463,-1.6629,0.00973787362454459,15.185648649448696,0.0,0.0,0,5001,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",,c6h4,22224.56793077689,22224.4887,-1.6626,-0.07923077688974445,6.2645843815121465,0.0006,0.0,0,5001,False,[],[],"N'=3, J'=3 - N''=2, J''=2",{},1.5714291464457055,0.8301,False,0.0,Catalog,True,0.0,False,False,[],True
"cyclohexa-1,3-dien-5-yne,2v16",,c6h4,22232.601786076644,22232.5507,-1.6623,-0.05108607664442388,6.577827254914372,0.0006,0.0,0,5001,False,[],[],"N'=3, J'=3 - N''=2, J''=2",{},1.5717980658192543,0.8302,False,0.0,Catalog,True,0.0,False,False,[],True
benzenol,,c6h6o,22265.10092784445,22265.1008,-2.3827,-0.00012784445061697625,11.90335451345787,0.0019,0.0,0,5001,False,[],[],"N'=3, J'=2 - N''=0     2, J''=1",{},1.3421838202847651,0.5995,False,0.0,Catalog,True,0.0,False,False,"[but-3-ynenitrile, 22,265.0678]",False
Artifact,,,22343.74951534961,22343.75,0.0,0.00048465039071743377,44.74335206522028,0.0,0.0,0,5001,False,[],[],,{},0.0,0.0,False,0.0,Artifact,False,0.0,False,False,[],True
cyclopent-2-en-1-one,,c5h6o,22603.14814338536,22603.1506,-0.8423,0.0024566146421420854,12.472588277037898,0.0012,0.0,0,5001,False,[],[],"N'=4, J'=4 - N''=3, J''=3",{},1.9381599478516567,1.1842,False,0.0,Catalog,True,0.0,False,False,[],True
"penta-1,4-diyn-3-one",,c5h2o,22722.45180375413,22722.3771,-1.2304,-0.07470375412958674,7.09050022186558,0.0008,0.0,0,5001,False,[],[],"N'=2, J'=0 - N''=1, J''=1",{},1.043636915811271,0.2857,False,0.0,Catalog,True,0.0,False,False,[],True
"(Z)-3-penten-1-yne, E state",,c5h6,22726.49,22726.4743,0.0,-0.01569999999992433,7.94,0.002,0.0,0,5001,False,[],[],"4,1,4,3,1,3",{},0.0,0.0,False,0.0,Line file,True,0.0,False,False,[],True
"(Z)-3-penten-1-yne, A state",,c5h6,22727.2,22727.184,-2.0398,-0.01599999999962165,8.31,0.001,0.0,0,5001,False,[],[],"N'=4, J'=4 - N''=3, J''=3",{},2.1904972567361916,1.4324,False,0.0,Catalog,True,0.0,False,False,"[3-phenylprop-2-ynenitrile, 22,726.9507]",False
"cyclohexa-2,5-dien-1-one",,c6h6o,22749.018460946158,22749.036,-1.7869,0.017539053842483554,7.819515536964709,0.0013,0.0,0,5001,False,[],[],"N'=5, J'=2 - N''=4, J''=1",{},3.8480261609970188,3.0892,False,0.0,Catalog,True,0.0,False,False,"[ethynylbenzene,2v23, 22,749.2008]",False
"cyclohexa-2,5-dien-1-one",,c6h6o,22751.575074970322,22751.5702,-1.3229,-0.004874970323726302,40.6758695051626,0.0006,0.0,0,5001,False,[],[],"N'=5, J'=3 - N''=4, J''=2",{},3.1595106928100236,2.4006,False,0.0,Catalog,True,0.0,False,False,[],True
"buta-1,2,3-trien-1-one-4-yl",,c4ho,22782.164951248342,22782.2129,-1.581,0.047948751656804234,7.847887446628846,0.0032,0.0,0,5001,False,[],[],"N'=5, J'=5 - N''=4, J''=4",{},2.2783328232600164,1.5184,False,0.0,Catalog,True,0.0,False,False,[],True
"buta-1,2,3-trien-1-one-4-yl",,c4ho,22815.38,22815.3956,-1.5769,0.015599999998812564,6.8,0.0032,0.0,0,5001,False,[],[],"N'=5, J'=5 - N''=4, J''=4",{},2.28473967899019,1.5237,False,0.0,Catalog,True,0.0,False,False,"[umol-1297, 22,815.3351, 5-ethylenecyclopenta-1,3-diene, 22,815.3801]",False
"buta-1,2,3-trien-1-one-4-yl",,c4ho,22815.674220172885,22815.8082,-1.4973,0.13397982711467193,8.150165576163348,0.0032,0.0,0,5001,False,[],[],"N'=5, J'=6 - N''=4, J''=5",{},2.2839534418447576,1.5229,False,0.0,Catalog,True,0.0,False,False,[],True
3-phenylprop-2-ynenitrile,,c9h5n,22851.716112449023,22851.6031,-6.9425,-0.11301244902278995,5.4792866755824114,0.0192,0.0,0,5001,False,[],[],"N'=21, J'=16 - N''=21    20, J''=15",{},12.647147431187879,11.8849,False,0.0,Catalog,True,0.0,False,False,"[Artifact, 22,851.5625]",False
benzenol,,c6h6o,22855.06220767401,22855.2035,-2.3714,0.14129232598861563,6.844208178117451,0.0019,0.0,0,5001,False,[],[],"N'=6, J'=6 - N''=0     5, J''=5",{},2.8498675276047134,2.0875,False,0.0,Catalog,True,0.0,False,False,[],True
"cyclohexa-2,4-dien-1-one",,c6h6o,22897.41304426122,22897.4196,-1.4453,0.006555738782481058,50.47062225326346,0.0013,0.0,0,5001,False,[],[],"N'=5, J'=3 - N''=4, J''=2",{},3.1525757051246432,2.3888,False,0.0,Catalog,True,0.0,False,False,[],True
"cyclohexa-2,4-dien-1-one",,c6h6o,22902.949436282637,22902.9623,-1.9037,0.01286371736205183,12.058181467787296,0.0032,0.0,0,5001,False,[],[],"N'=5, J'=2 - N''=4, J''=1",{},3.8245605896956887,3.0606,False,0.0,Catalog,True,0.0,False,False,[],True
"cyclohexa-2,4-dien-1-one",,c6h6o,22931.71087811796,22931.7215,-1.9028,0.010621882040140918,13.487137062825154,0.0031,0.0,0,5001,False,[],[],"N'=5, J'=1 - N''=4, J''=0",{},3.8256198933483514,3.0607,False,0.0,Catalog,True,0.0,False,False,"[benzonitrile, v12, 22,931.5074]",False
"cyclohexa-2,5-dien-1-one",,c6h6o,23141.505679554837,23141.497,-0.9549,-0.008679554837726755,65.42893370115405,0.0007,0.0,0,5001,False,[],[],"N'=6, J'=6 - N''=5, J''=5",{},2.848317250833575,2.0764,False,0.0,Catalog,True,0.0,False,False,[],True
"cyclohexa-2,5-dien-1-one ,v22",,c6h6o,23159.300938350545,23159.4655,-0.9547,0.1645616494533897,5.813800097361037,0.0014,0.0,0,5001,False,[],[],"N'=6, J'=6 - N''=5, J''=5",{},2.8500166154780318,2.0775,False,0.0,Catalog,True,0.0,False,False,[],True
"cyclohexa-2,4-dien-1-one",,c6h6o,23202.582017956083,23202.5826,-1.0857,0.0005820439182571135,129.47374325304725,0.0006,0.0,0,5001,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,23266.305375799464,23266.3032,-1.3073,-0.0021757994654763024,34.616227475531474,0.0007,0.0,0,5001,False,[],[],"N'=5, J'=2 - N''=4, J''=1",{},3.1828803375513868,2.4068,False,0.0,Catalog,True,0.0,False,False,[],True
"cyclohexa-2,5-dien-1-one",,c6h6o,23299.33221997008,23299.3317,-0.9458,-0.0005199700826779008,48.30165810168993,0.0007,0.0,0,5001,False,[],[],"N'=6, J'=6 - N''=5, J''=5",{},2.844182049723212,2.067,False,0.0,Catalog,True,0.0,False,False,[],True
"cyclohexa-2,5-dien-1-one ,v22",,c6h6o,23314.801632376395,23314.9055,-0.9458,0.1038676236057654,6.676598061275236,0.0011,0.0,0,5001,False,[],[],"N'=6, J'=6 - N''=5, J''=5",{},2.846101535773792,2.0684,False,0.0,Catalog,True,0.0,False,False,"[6-methylidenecyclohexa-2,4-dien-1-one, 23,315.0281, cyclohexa-2,5-dien-1-one, v22, 23,314.9094]",False
"cyclohexa-2,4-dien-1-one",,c6h6o,23345.295881438255,23345.2984,-1.0775,0.0025185617450915743,66.74009388237896,0.0006,0.0,0,5001,False,[],[],"N'=6, J'=6 - N''=5, J''=5",{},2.8513153337926864,2.0726,False,0.0,Catalog,True,0.0,False,False,"[cyanoprop-1,2-dien-1,3-diyl, 23,345.4082]",False
Artifact,,,23359.231997601837,23359.375,0.0,0.1430023981629347,5.6329160478344615,0.0,0.0,0,5001,False,[],[],,{},0.0,0.0,False,0.0,Artifact,False,0.0,False,False,[],True
2-phenylacetonitrile,,c8h7n,23379.01194967708,23378.8245,-5.1613,-0.18744967707971227,6.759644315748191,0.0578,0.0,0,5001,False,[],[],"N'=13, J'=13 - N''=13    12, J''=12",{},5.547433644113889,4.7676,False,0.0,Catalog,True,0.0,False,False,[],True
"cyclopenta-2,4-dien-1-one",,c5h4o,23391.661434462803,23391.6605,-0.9596,-0.0009344628015242051,32.183891970118864,0.0007,0.0,0,5001,False,[],[],"N'=4, J'=4 - N''=3, J''=3",{},2.1288618069864853,1.3486,False,0.0,Catalog,True,0.0,False,False,"[(3E)-penta-1,3-dien-1-one (anti), 23,391.7939]",False
"cyclohexa-2,4-dien-1-one (13C6)",,c6h6o,23392.62,23392.6011,-1.0308,-0.018899999999121064,6.49,0.0024,0.0,0,5001,False,[],[],"N'=5, J'=4 - N''=4, J''=3",{},2.4960931820252794,1.7158,False,0.0,Catalog,True,0.0,False,False,[],True
"cyclohexa-2,5-dien-1-one",,c6h6o,23403.081469471817,23403.0835,-0.9272,0.0020305281832406763,175.79014608907053,0.0008,0.0,0,5001,False,[],[],"N'=5, J'=4 - N''=4, J''=3",{},2.49664283725243,1.716,False,0.0,Catalog,True,0.0,False,False,[],True
"cyclopenta-2,4-dien-1-one, ve1",,c5h4o,23404.62,23404.6359,-0.9592,0.015900000002147863,13.5,0.0008,0.0,0,5001,False,[],[],"N'=4, J'=4 - N''=3, J''=3",{},2.129394619742569,1.3487,False,0.0,Catalog,True,0.0,False,False,[],True
"cyanoprop-1,2-dien-1,3-diyl",,c4hn,23404.898866065396,23404.7428,-5.1928,-0.1560660653958621,15.166113939843717,0.0121,0.0,0,5001,False,[],[],"N'=5, J'=6 - N''=6 6   4, J''=5",{},2.0898981855427463,1.3092,False,0.0,Catalog,True,0.0,False,False,[],True
"cyclohexa-2,5-dien-1-one ,v22",,c6h6o,23416.63343291316,23416.6899,-0.9273,0.056467086840712,9.174039309973868,0.0023,0.0,0,5001,False,[],[],"N'=5, J'=4 - N''=4, J''=3",{},2.497996697902921,1.7169,False,0.0,Catalog,True,0.0,False,False,[],True
"cyclohexa-2,4-dien-1-one",,c6h6o,23461.997055062417,23462.0004,-1.4283,0.003344937584188301,59.08627813593103,0.0011,0.0,0,5001,False,[],[],"N'=5, J'=2 - N''=4, J''=1",{},3.1783080934964683,2.3957,False,0.0,Catalog,True,0.0,False,False,[],True
c4h4o-isomer4,,c4h4o,23464.085564071833,23464.1553,-0.604,0.06973592816575547,6.360948064080071,0.001,0.0,0,5001,False,[],[],"N'=5, J'=5 - N''=4, J''=4",{},2.3482799732233426,1.5656,False,0.0,Catalog,True,0.0,False,False,"[cyclohexa-2,4-dien-1-one (13C5), 23,464.1007, cyanoprop-1,2-dien-1,3-diyl, 23,464.0159]",False
"cyclohexa-2,4-dien-1-one",,c6h6o,23492.59591392197,23492.595,-1.0591,-0.000913921969186049,194.31461667314622,0.001,0.0,0,5001,False,[],[],"N'=5, J'=4 - N''=4, J''=3",{},2.5071286195031632,1.7235,False,0.0,Catalog,True,0.0,False,False,[],True
2-propenal (syn),,c3h4o,23625.211061475165,23625.2097,-1.1657,-0.001361475166049786,57.9505774787744,0.0008,0.0,0,5001,False,[],[],"N'=2, J'=1 - N''=1, J''=0",{},1.7578521697447105,0.9698,False,0.0,Catalog,True,0.0,False,False,[],True
"(2E)-penta-2,4-dienal (anti)",C=C/C=C/C=O,c5h6o,23637.475811670196,23637.4099,-1.0575,-0.06591167019723798,8.883097937103882,0.003,0.0,0,5001,False,[],[],"N'=9, J'=9 - N''=8, J''=8",{},3.943159124612134,3.1547,False,0.0,Catalog,True,0.0,False,False,[],True
Artifact,,,23999.999615561977,24000.0,0.0,0.00038443802259280346,7.792004655538421,0.0,0.0,0,5001,False,[],[],,{},0.0,0.0,False,0.0,Artifact,False,0.0,False,False,[],True
"cyclohexa-1,3-dien-5-yne,v16",,c6h4,24084.06533997296,24084.0511,-1.6733,-0.014239972959330771,11.515497346167837,0.0008,0.0,0,5001,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]",False
"cyclohexa-1,3-dien-5-yne",,c6h4,24109.517556480067,24109.5142,-1.6727,-0.003356480065122014,11.991681368616208,0.0,0.0,0,5001,False,[],[],"N'=2, J'=1 - N''=1, J''=0",{},1.227706828979,0.4235,False,0.0,Catalog,True,0.0,False,False,[],True
3-oxoprop-2-enal (anti),,c3h2o2,24162.44142280237,24162.4399,-1.6516,-0.0015228023694362491,9.186898585892745,0.001,0.0,0,5001,False,[],[],"N'=5, J'=5 - N''=4, J''=4",{},2.418272240302323,1.6123,False,0.0,Catalog,True,0.0,False,False,"[(Z)-pent-2-en-4-ynenitrile, 24,162.3748]",False
"cyclopenta-2,4-dien-1-one",,c5h4o,24293.447364241176,24293.4473,-0.8957,-6.424117600545287e-05,76.36975443526167,0.0009,0.0,0,5001,False,[],[],"N'=4, J'=4 - N''=3, J''=3",{},2.090342176786849,1.28,False,0.0,Catalog,True,0.0,False,False,[],True
"cyclopenta-2,4-dien-1-one, ve1",,c5h4o,24302.83385929538,24302.831,-0.8955,-0.0028592953822226264,23.526495929032038,0.0009,0.0,0,5001,False,[],[],"N'=4, J'=4 - N''=3, J''=3",{},2.09105518332686,1.2804,False,0.0,Catalog,True,0.0,False,False,[],True
Artifact,,,24374.99923358809,24375.0,0.0,0.0007664119111723267,119.80878832499772,0.0,0.0,0,5001,False,[],[],,{},0.0,0.0,False,0.0,Artifact,False,0.0,False,False,[],True
"cyclohexa-2,5-dien-1-one",,c6h6o,24383.944012503645,24383.944,-1.0123,-1.2503645848482847e-05,32.74015348972366,0.001,0.0,0,5001,False,[],[],"N'=5, J'=3 - N''=4, J''=2",{},2.7783608217722406,1.965,False,0.0,Catalog,True,0.0,False,False,"[(2E)-2,4-pentadienal (syn), 24,383.8559]",False
"penta-1,3-diyne",,c5h4,24428.62,24428.661,-3.2471,0.04100000000107684,12.62,0.0,0.0,0,5001,False,[],[],"N'=6.0, J'=nan - N''=5.0, J''=nan",{},7.855352420336738,7.0405,False,0.0,Catalog,True,0.0,False,False,[],True
"penta-1,3-diyne",,c5h4,24428.767307432372,24428.8986,-1.3706,0.1312925676284067,12.62965751709576,0.0,0.0,0,5001,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
"cyclohexa-2,4-dien-1-one",,c6h6o,24574.535898420556,24574.5468,-1.1381,0.010901579444180243,43.59789941969689,0.0015,0.0,0,5001,False,[],[],"N'=5, J'=3 - N''=4, J''=2",{},2.787618646824664,1.9679,False,0.0,Catalog,True,0.0,False,False,[],True
"penta-1,2-dien-4-yne",,c5h4,24629.901088980027,24629.906,-2.3047,0.004911019972496433,9.389123852420774,0.0018,0.0,0,5001,False,[],[],"N'=5, J'=5 - N''=4, J''=4",{},3.2471652309705537,2.4256,False,0.0,Catalog,True,0.0,False,False,"[benzaldehyde, 24,630.1009]",False
"cyclohexa-2,4-dien-1-one (13C1)",,c6h6o,24749.957759010154,24749.8604,-4.3306,-0.09735901015301351,6.199603960710228,0.0229,0.0,0,5001,False,[],[],"N'=8, J'=7 - N''=8, J''=8",{},5.562166479060657,4.7366,False,0.0,Catalog,True,0.0,False,False,"[Artifact, 24,750.0000]",False
2-propenal (anti),,c3h4o,24892.588512966035,24892.5754,-2.6467,-0.0131129660330771,7.135514589751127,0.0015,0.0,0,5001,False,[],[],"N'=1, J'=1 - N''=2, J''=2",{},1.7210269390452777,0.8907,False,0.0,Catalog,True,0.0,False,False,"[cyclopenta-1,3-diene-1-carbonitrile, 24,892.5539]",False
(E)-pent-2-en-4-ynal (anti),,c5h4o,24900.89836524089,24900.8495,-1.2124,-0.048865240889426786,9.684106054279287,0.0009,0.0,0,5001,False,[],[],"N'=9, J'=9 - N''=8, J''=8",{},4.153802933313285,3.3232,False,0.0,Catalog,True,0.0,False,False,[],True
prop-2-ynal,,c3h2o,25100.657914515334,25100.6626,-1.6889,0.004685484665969852,21.93379279346865,0.0012,0.0,0,5001,False,[],[],"N'=3, J'=3 - N''=4, J''=4",{},3.9473679809043096,3.1101,False,0.0,Catalog,True,0.0,False,False,[],True
"penta-1,2-dien-4-yne",,c5h4,25648.591810289563,25648.523,-2.2955,-0.06881028956195223,6.453286426382318,0.0041,0.0,0,5001,False,[],[],"N'=5, J'=4 - N''=4, J''=3",{},3.3491426367663992,2.4936,False,0.0,Catalog,True,0.0,False,False,"[2-phenylacetonitrile, 25,648.5276]",False
"cyclohexa-2,5-dien-1-one",,c6h6o,25937.42102638635,25937.4083,-1.076,-0.012726386350550456,10.099879826844845,0.0005,0.0,0,5001,False,[],[],"N'=6, J'=5 - N''=5, J''=4",{},3.4779788131374536,2.6128,False,0.0,Catalog,True,0.0,False,False,[],True
Artifact,,,26000.008789971176,26000.0,0.0,-0.008789971176156541,9.923339409136267,0.0,0.0,0,5001,False,[],[],,{},0.0,0.0,False,0.0,Artifact,False,0.0,False,False,[],True
"cyclohexa-2,4-dien-1-one",,c6h6o,26041.464744305395,26041.3321,-1.2053,-0.13264430539493333,6.300992762922834,0.0009,0.0,0,5001,False,[],[],"N'=6, J'=5 - N''=5, J''=4",{},3.483745337969109,2.6151,False,0.0,Catalog,True,0.0,False,False,[],True
2-propenal (anti),,c3h4o,26079.438207798965,26079.4496,-0.8251,0.011392201035050675,9.053318593012321,0.0009,0.0,0,5001,False,[],[],"N'=3, J'=3 - N''=2, J''=2",{},3.170916800908981,2.301,False,0.0,Catalog,True,0.0,False,False,"[cyclohexa-2,5-dien-1-one, 26,079.3006]",False
2-propenal (anti),,c3h4o,26694.42226299795,26694.3109,-0.316,-0.11136299794816296,7.871871719096277,0.0009,0.0,0,5001,False,[],[],"N'=3, J'=3 - N''=2, J''=2",{},1.7811263662296668,0.8907,False,0.0,Catalog,True,0.0,False,False,[],True